USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 22 TYR OH : rot 23:sc= 0.291 USER MOD Set 1.2: A 27 GLN : amide:sc= 0.265 K(o=0.56,f=-1.1) USER MOD Set 2.1: A 13 CYS SG : rot 126:sc= 1.68 USER MOD Set 2.2: A 31 ASN : amide:sc= -4.47! C(o=-2.8!,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc=-0.00943 (180deg=-0.281) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00595) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0251 (180deg=-0.231) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0011 USER MOD Single : A 35 ASN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.54 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 84:sc= 0.894 USER MOD Single : A 58 ASN : amide:sc= 1.29 K(o=1.3,f=-0.077) USER MOD Single : A 59 ASN : amide:sc= -0.0535 X(o=-0.054,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.359 15.177 4.342 1.00 0.00 N ATOM 2 CA MET A 1 -3.717 16.343 5.180 1.00 0.00 C ATOM 3 C MET A 1 -4.963 16.036 5.996 1.00 0.00 C ATOM 4 O MET A 1 -5.841 15.296 5.543 1.00 0.00 O ATOM 5 CB MET A 1 -3.924 17.596 4.310 1.00 0.00 C ATOM 6 CG MET A 1 -5.076 17.497 3.316 1.00 0.00 C ATOM 7 SD MET A 1 -6.677 17.903 4.040 1.00 0.00 S ATOM 8 CE MET A 1 -7.766 17.574 2.656 1.00 0.00 C ATOM 0 H1 MET A 1 -2.983 15.507 3.430 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.637 14.608 4.829 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.205 14.595 4.177 1.00 0.00 H new ATOM 0 HA MET A 1 -2.895 16.546 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.098 18.451 4.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.004 17.797 3.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.883 18.167 2.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.113 16.485 2.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.796 17.779 2.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.492 18.214 1.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.673 16.529 2.361 1.00 0.00 H new ATOM 20 N SER A 2 -5.005 16.575 7.214 1.00 0.00 N ATOM 21 CA SER A 2 -6.136 16.398 8.120 1.00 0.00 C ATOM 22 C SER A 2 -6.309 14.924 8.506 1.00 0.00 C ATOM 23 O SER A 2 -5.531 14.061 8.086 1.00 0.00 O ATOM 24 CB SER A 2 -7.421 16.945 7.482 1.00 0.00 C ATOM 25 OG SER A 2 -8.464 17.068 8.434 1.00 0.00 O ATOM 0 H SER A 2 -4.254 17.147 7.600 1.00 0.00 H new ATOM 0 HA SER A 2 -5.933 16.960 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.220 17.918 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.739 16.283 6.677 1.00 0.00 H new ATOM 0 HG SER A 2 -9.267 17.420 7.996 1.00 0.00 H new ATOM 31 N LEU A 3 -7.311 14.640 9.325 1.00 0.00 N ATOM 32 CA LEU A 3 -7.602 13.274 9.733 1.00 0.00 C ATOM 33 C LEU A 3 -9.030 12.903 9.360 1.00 0.00 C ATOM 34 O LEU A 3 -9.984 13.309 10.028 1.00 0.00 O ATOM 35 CB LEU A 3 -7.388 13.079 11.242 1.00 0.00 C ATOM 36 CG LEU A 3 -5.928 12.958 11.703 1.00 0.00 C ATOM 37 CD1 LEU A 3 -5.181 11.948 10.846 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.229 14.312 11.681 1.00 0.00 C ATOM 0 H LEU A 3 -7.938 15.340 9.721 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.910 12.618 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.846 13.918 11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.922 12.181 11.552 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.927 12.602 12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.148 11.875 11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.661 10.973 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.198 12.271 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.197 14.194 12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.241 14.711 10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.748 15.000 12.348 1.00 0.00 H new ATOM 50 N ASP A 4 -9.171 12.150 8.279 1.00 0.00 N ATOM 51 CA ASP A 4 -10.479 11.723 7.806 1.00 0.00 C ATOM 52 C ASP A 4 -10.499 10.208 7.625 1.00 0.00 C ATOM 53 O ASP A 4 -10.153 9.692 6.560 1.00 0.00 O ATOM 54 CB ASP A 4 -10.846 12.420 6.497 1.00 0.00 C ATOM 55 CG ASP A 4 -12.305 12.228 6.133 1.00 0.00 C ATOM 56 OD1 ASP A 4 -12.693 11.098 5.787 1.00 0.00 O ATOM 57 OD2 ASP A 4 -13.076 13.212 6.203 1.00 0.00 O ATOM 0 H ASP A 4 -8.391 11.821 7.710 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.221 12.003 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.632 13.485 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.219 12.033 5.694 1.00 0.00 H new ATOM 62 N PRO A 5 -10.851 9.473 8.689 1.00 0.00 N ATOM 63 CA PRO A 5 -10.843 8.002 8.695 1.00 0.00 C ATOM 64 C PRO A 5 -11.841 7.379 7.711 1.00 0.00 C ATOM 65 O PRO A 5 -11.846 6.162 7.518 1.00 0.00 O ATOM 66 CB PRO A 5 -11.230 7.639 10.135 1.00 0.00 C ATOM 67 CG PRO A 5 -11.018 8.885 10.926 1.00 0.00 C ATOM 68 CD PRO A 5 -11.289 10.017 9.982 1.00 0.00 C ATOM 0 HA PRO A 5 -9.871 7.620 8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.267 7.309 10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.614 6.823 10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.689 8.922 11.785 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.001 8.934 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.344 10.290 9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.731 10.913 10.254 1.00 0.00 H new ATOM 76 N GLN A 6 -12.672 8.209 7.090 1.00 0.00 N ATOM 77 CA GLN A 6 -13.662 7.730 6.131 1.00 0.00 C ATOM 78 C GLN A 6 -12.976 7.225 4.866 1.00 0.00 C ATOM 79 O GLN A 6 -13.269 6.134 4.379 1.00 0.00 O ATOM 80 CB GLN A 6 -14.640 8.847 5.770 1.00 0.00 C ATOM 81 CG GLN A 6 -15.730 8.419 4.803 1.00 0.00 C ATOM 82 CD GLN A 6 -16.372 9.601 4.105 1.00 0.00 C ATOM 83 OE1 GLN A 6 -15.943 9.997 3.021 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.389 10.182 4.724 1.00 0.00 N ATOM 0 H GLN A 6 -12.680 9.219 7.234 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.212 6.909 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.104 9.220 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.084 9.676 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.308 7.744 4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.494 7.860 5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.713 9.822 5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.848 10.990 4.303 1.00 0.00 H new ATOM 93 N LEU A 7 -12.051 8.027 4.345 1.00 0.00 N ATOM 94 CA LEU A 7 -11.313 7.667 3.137 1.00 0.00 C ATOM 95 C LEU A 7 -10.301 6.566 3.429 1.00 0.00 C ATOM 96 O LEU A 7 -9.866 5.852 2.525 1.00 0.00 O ATOM 97 CB LEU A 7 -10.590 8.884 2.549 1.00 0.00 C ATOM 98 CG LEU A 7 -11.457 9.856 1.740 1.00 0.00 C ATOM 99 CD1 LEU A 7 -12.472 10.560 2.624 1.00 0.00 C ATOM 100 CD2 LEU A 7 -10.577 10.871 1.028 1.00 0.00 C ATOM 0 H LEU A 7 -11.794 8.931 4.741 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.037 7.302 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.127 9.436 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.784 8.528 1.908 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.009 9.280 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.070 11.242 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.124 9.821 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.951 11.123 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.202 11.557 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.001 11.433 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.896 10.352 0.353 1.00 0.00 H new ATOM 112 N LEU A 8 -9.928 6.442 4.693 1.00 0.00 N ATOM 113 CA LEU A 8 -8.959 5.439 5.112 1.00 0.00 C ATOM 114 C LEU A 8 -9.629 4.081 5.270 1.00 0.00 C ATOM 115 O LEU A 8 -9.041 3.049 4.938 1.00 0.00 O ATOM 116 CB LEU A 8 -8.295 5.858 6.427 1.00 0.00 C ATOM 117 CG LEU A 8 -7.523 7.180 6.374 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.971 7.528 7.748 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.396 7.106 5.352 1.00 0.00 C ATOM 0 H LEU A 8 -10.283 7.026 5.450 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.192 5.359 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.064 5.935 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.611 5.068 6.738 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.213 7.966 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.425 8.470 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.794 7.626 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.298 6.738 8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.861 8.055 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.707 6.307 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.812 6.902 4.365 1.00 0.00 H new ATOM 131 N GLU A 9 -10.862 4.097 5.780 1.00 0.00 N ATOM 132 CA GLU A 9 -11.648 2.883 5.992 1.00 0.00 C ATOM 133 C GLU A 9 -10.924 1.907 6.921 1.00 0.00 C ATOM 134 O GLU A 9 -9.975 2.275 7.622 1.00 0.00 O ATOM 135 CB GLU A 9 -11.970 2.203 4.654 1.00 0.00 C ATOM 136 CG GLU A 9 -12.750 3.081 3.689 1.00 0.00 C ATOM 137 CD GLU A 9 -13.209 2.330 2.458 1.00 0.00 C ATOM 138 OE1 GLU A 9 -12.444 2.262 1.471 1.00 0.00 O ATOM 139 OE2 GLU A 9 -14.338 1.796 2.472 1.00 0.00 O ATOM 0 H GLU A 9 -11.343 4.953 6.057 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.583 3.175 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.038 1.897 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.542 1.295 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.618 3.495 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.127 3.923 3.385 1.00 0.00 H new ATOM 146 N VAL A 10 -11.396 0.671 6.947 1.00 0.00 N ATOM 147 CA VAL A 10 -10.759 -0.377 7.728 1.00 0.00 C ATOM 148 C VAL A 10 -10.066 -1.359 6.793 1.00 0.00 C ATOM 149 O VAL A 10 -10.722 -2.150 6.114 1.00 0.00 O ATOM 150 CB VAL A 10 -11.773 -1.139 8.610 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.068 -2.184 9.464 1.00 0.00 C ATOM 152 CG2 VAL A 10 -12.562 -0.173 9.485 1.00 0.00 C ATOM 0 H VAL A 10 -12.223 0.368 6.433 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.032 0.097 8.388 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.474 -1.653 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.801 -2.708 10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.558 -2.898 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.339 -1.695 10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.270 -0.732 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.877 0.375 10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.105 0.530 8.853 1.00 0.00 H new ATOM 162 N LEU A 11 -8.746 -1.282 6.739 1.00 0.00 N ATOM 163 CA LEU A 11 -7.966 -2.150 5.869 1.00 0.00 C ATOM 164 C LEU A 11 -7.268 -3.225 6.687 1.00 0.00 C ATOM 165 O LEU A 11 -6.458 -2.922 7.566 1.00 0.00 O ATOM 166 CB LEU A 11 -6.940 -1.329 5.081 1.00 0.00 C ATOM 167 CG LEU A 11 -7.535 -0.250 4.171 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.435 0.543 3.484 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.461 -0.877 3.138 1.00 0.00 C ATOM 0 H LEU A 11 -8.191 -0.626 7.288 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.640 -2.634 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.259 -0.853 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.344 -2.009 4.472 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.115 0.435 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.881 1.303 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.809 1.024 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.825 -0.129 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.875 -0.097 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.900 -1.585 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.272 -1.399 3.646 1.00 0.00 H new ATOM 181 N ALA A 12 -7.586 -4.480 6.398 1.00 0.00 N ATOM 182 CA ALA A 12 -7.039 -5.596 7.151 1.00 0.00 C ATOM 183 C ALA A 12 -6.589 -6.716 6.223 1.00 0.00 C ATOM 184 O ALA A 12 -7.116 -6.871 5.118 1.00 0.00 O ATOM 185 CB ALA A 12 -8.068 -6.113 8.144 1.00 0.00 C ATOM 0 H ALA A 12 -8.221 -4.749 5.646 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.166 -5.241 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.647 -6.949 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.340 -5.315 8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.956 -6.446 7.607 1.00 0.00 H new ATOM 191 N CYS A 13 -5.612 -7.484 6.680 1.00 0.00 N ATOM 192 CA CYS A 13 -5.069 -8.596 5.914 1.00 0.00 C ATOM 193 C CYS A 13 -6.034 -9.781 5.903 1.00 0.00 C ATOM 194 O CYS A 13 -6.682 -10.076 6.907 1.00 0.00 O ATOM 195 CB CYS A 13 -3.728 -9.015 6.515 1.00 0.00 C ATOM 196 SG CYS A 13 -3.755 -9.110 8.319 1.00 0.00 S ATOM 0 H CYS A 13 -5.173 -7.354 7.592 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.926 -8.273 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.444 -9.987 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.961 -8.305 6.206 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.347 -10.285 8.698 1.00 0.00 H new ATOM 202 N PRO A 14 -6.137 -10.480 4.764 1.00 0.00 N ATOM 203 CA PRO A 14 -7.032 -11.637 4.616 1.00 0.00 C ATOM 204 C PRO A 14 -6.551 -12.879 5.373 1.00 0.00 C ATOM 205 O PRO A 14 -7.268 -13.874 5.457 1.00 0.00 O ATOM 206 CB PRO A 14 -7.024 -11.901 3.109 1.00 0.00 C ATOM 207 CG PRO A 14 -5.716 -11.368 2.639 1.00 0.00 C ATOM 208 CD PRO A 14 -5.415 -10.181 3.512 1.00 0.00 C ATOM 0 HA PRO A 14 -8.018 -11.428 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.119 -12.965 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.856 -11.400 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.934 -12.123 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.767 -11.078 1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.344 -10.070 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.763 -9.252 3.060 1.00 0.00 H new ATOM 216 N LYS A 15 -5.339 -12.825 5.920 1.00 0.00 N ATOM 217 CA LYS A 15 -4.794 -13.962 6.655 1.00 0.00 C ATOM 218 C LYS A 15 -5.274 -13.968 8.104 1.00 0.00 C ATOM 219 O LYS A 15 -6.251 -14.636 8.444 1.00 0.00 O ATOM 220 CB LYS A 15 -3.262 -13.961 6.627 1.00 0.00 C ATOM 221 CG LYS A 15 -2.649 -14.253 5.267 1.00 0.00 C ATOM 222 CD LYS A 15 -3.070 -15.614 4.740 1.00 0.00 C ATOM 223 CE LYS A 15 -2.213 -16.049 3.563 1.00 0.00 C ATOM 224 NZ LYS A 15 -0.874 -16.534 3.994 1.00 0.00 N ATOM 0 H LYS A 15 -4.722 -12.015 5.869 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.156 -14.862 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.907 -12.989 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.899 -14.701 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.949 -13.480 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.562 -14.212 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.995 -16.353 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.116 -15.579 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.725 -16.840 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.091 -15.212 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.336 -16.852 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.360 -15.762 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.989 -17.328 4.656 1.00 0.00 H new ATOM 238 N ASP A 16 -4.592 -13.208 8.952 1.00 0.00 N ATOM 239 CA ASP A 16 -4.882 -13.196 10.385 1.00 0.00 C ATOM 240 C ASP A 16 -5.878 -12.094 10.730 1.00 0.00 C ATOM 241 O ASP A 16 -6.340 -11.999 11.868 1.00 0.00 O ATOM 242 CB ASP A 16 -3.587 -13.004 11.183 1.00 0.00 C ATOM 243 CG ASP A 16 -2.975 -11.628 11.000 1.00 0.00 C ATOM 244 OD1 ASP A 16 -2.634 -11.273 9.850 1.00 0.00 O ATOM 245 OD2 ASP A 16 -2.840 -10.901 12.008 1.00 0.00 O ATOM 0 H ASP A 16 -3.831 -12.589 8.673 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.327 -14.155 10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.792 -13.166 12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.864 -13.760 10.878 1.00 0.00 H new ATOM 250 N LYS A 17 -6.207 -11.282 9.727 1.00 0.00 N ATOM 251 CA LYS A 17 -7.154 -10.180 9.870 1.00 0.00 C ATOM 252 C LYS A 17 -6.669 -9.172 10.908 1.00 0.00 C ATOM 253 O LYS A 17 -7.178 -9.107 12.028 1.00 0.00 O ATOM 254 CB LYS A 17 -8.555 -10.690 10.229 1.00 0.00 C ATOM 255 CG LYS A 17 -9.644 -9.637 10.083 1.00 0.00 C ATOM 256 CD LYS A 17 -9.863 -9.257 8.622 1.00 0.00 C ATOM 257 CE LYS A 17 -10.507 -10.395 7.833 1.00 0.00 C ATOM 258 NZ LYS A 17 -11.887 -10.685 8.307 1.00 0.00 N ATOM 0 H LYS A 17 -5.821 -11.371 8.787 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.216 -9.676 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.797 -11.541 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.548 -11.053 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.575 -10.014 10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.372 -8.749 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.497 -8.372 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.908 -8.994 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.534 -10.134 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.895 -11.292 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.380 -11.271 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.843 -11.195 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.404 -9.792 8.437 1.00 0.00 H new ATOM 272 N GLY A 18 -5.660 -8.408 10.531 1.00 0.00 N ATOM 273 CA GLY A 18 -5.147 -7.361 11.383 1.00 0.00 C ATOM 274 C GLY A 18 -5.008 -6.062 10.624 1.00 0.00 C ATOM 275 O GLY A 18 -4.940 -6.074 9.391 1.00 0.00 O ATOM 0 H GLY A 18 -5.180 -8.497 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.815 -7.220 12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.178 -7.657 11.785 1.00 0.00 H new ATOM 279 N PRO A 19 -4.977 -4.925 11.329 1.00 0.00 N ATOM 280 CA PRO A 19 -4.863 -3.606 10.700 1.00 0.00 C ATOM 281 C PRO A 19 -3.570 -3.452 9.907 1.00 0.00 C ATOM 282 O PRO A 19 -2.477 -3.692 10.423 1.00 0.00 O ATOM 283 CB PRO A 19 -4.882 -2.630 11.881 1.00 0.00 C ATOM 284 CG PRO A 19 -5.464 -3.402 13.014 1.00 0.00 C ATOM 285 CD PRO A 19 -5.048 -4.827 12.796 1.00 0.00 C ATOM 0 HA PRO A 19 -5.664 -3.435 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.878 -2.279 12.118 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.483 -1.749 11.655 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.097 -3.030 13.970 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.550 -3.310 13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.087 -5.044 13.263 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.771 -5.528 13.214 1.00 0.00 H new ATOM 293 N LEU A 20 -3.705 -3.051 8.652 1.00 0.00 N ATOM 294 CA LEU A 20 -2.559 -2.880 7.775 1.00 0.00 C ATOM 295 C LEU A 20 -1.874 -1.543 8.032 1.00 0.00 C ATOM 296 O LEU A 20 -2.526 -0.548 8.353 1.00 0.00 O ATOM 297 CB LEU A 20 -2.992 -2.970 6.309 1.00 0.00 C ATOM 298 CG LEU A 20 -3.587 -4.316 5.888 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.065 -4.260 4.448 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.566 -5.431 6.066 1.00 0.00 C ATOM 0 H LEU A 20 -4.603 -2.837 8.217 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.849 -3.680 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.727 -2.189 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.129 -2.759 5.678 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.444 -4.527 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.485 -5.226 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.829 -3.489 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.225 -4.025 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.007 -6.380 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.690 -5.224 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.269 -5.488 7.113 1.00 0.00 H new ATOM 312 N ARG A 21 -0.556 -1.532 7.902 1.00 0.00 N ATOM 313 CA ARG A 21 0.216 -0.310 8.024 1.00 0.00 C ATOM 314 C ARG A 21 0.335 0.349 6.655 1.00 0.00 C ATOM 315 O ARG A 21 0.890 -0.235 5.720 1.00 0.00 O ATOM 316 CB ARG A 21 1.607 -0.605 8.601 1.00 0.00 C ATOM 317 CG ARG A 21 2.505 0.617 8.683 1.00 0.00 C ATOM 318 CD ARG A 21 3.892 0.262 9.193 1.00 0.00 C ATOM 319 NE ARG A 21 4.793 1.412 9.150 1.00 0.00 N ATOM 320 CZ ARG A 21 6.117 1.327 9.040 1.00 0.00 C ATOM 321 NH1 ARG A 21 6.717 0.141 9.006 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.840 2.433 8.978 1.00 0.00 N ATOM 0 H ARG A 21 0.003 -2.364 7.711 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.294 0.369 8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.494 -1.030 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.093 -1.362 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.586 1.076 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.053 1.357 9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.820 -0.107 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.305 -0.547 8.591 1.00 0.00 H new ATOM 0 HE ARG A 21 4.379 2.343 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.162 -0.713 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.732 0.085 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.383 3.344 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.855 2.375 8.894 1.00 0.00 H new ATOM 336 N TYR A 22 -0.193 1.556 6.543 1.00 0.00 N ATOM 337 CA TYR A 22 -0.245 2.248 5.267 1.00 0.00 C ATOM 338 C TYR A 22 0.993 3.111 5.055 1.00 0.00 C ATOM 339 O TYR A 22 1.228 4.081 5.777 1.00 0.00 O ATOM 340 CB TYR A 22 -1.522 3.097 5.184 1.00 0.00 C ATOM 341 CG TYR A 22 -1.622 3.955 3.938 1.00 0.00 C ATOM 342 CD1 TYR A 22 -1.434 3.415 2.670 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.908 5.310 4.035 1.00 0.00 C ATOM 344 CE1 TYR A 22 -1.528 4.203 1.539 1.00 0.00 C ATOM 345 CE2 TYR A 22 -2.007 6.101 2.909 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.814 5.544 1.665 1.00 0.00 C ATOM 347 OH TYR A 22 -1.908 6.333 0.544 1.00 0.00 O ATOM 0 H TYR A 22 -0.593 2.078 7.323 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.264 1.502 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.387 2.435 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.572 3.743 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.211 2.363 2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.056 5.753 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.378 3.769 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.235 7.152 3.003 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.112 5.773 -0.234 1.00 0.00 H new ATOM 357 N LEU A 23 1.792 2.729 4.073 1.00 0.00 N ATOM 358 CA LEU A 23 2.934 3.525 3.662 1.00 0.00 C ATOM 359 C LEU A 23 2.469 4.602 2.692 1.00 0.00 C ATOM 360 O LEU A 23 2.205 4.324 1.520 1.00 0.00 O ATOM 361 CB LEU A 23 4.002 2.643 3.006 1.00 0.00 C ATOM 362 CG LEU A 23 5.279 3.373 2.582 1.00 0.00 C ATOM 363 CD1 LEU A 23 5.998 3.955 3.790 1.00 0.00 C ATOM 364 CD2 LEU A 23 6.199 2.436 1.818 1.00 0.00 C ATOM 0 H LEU A 23 1.669 1.866 3.543 1.00 0.00 H new ATOM 0 HA LEU A 23 3.378 3.993 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.271 1.848 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.567 2.165 2.128 1.00 0.00 H new ATOM 0 HG LEU A 23 4.997 4.196 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.902 4.469 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.342 4.662 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.265 3.151 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.102 2.972 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.468 1.592 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.688 2.071 0.927 1.00 0.00 H new ATOM 376 N GLU A 24 2.361 5.823 3.191 1.00 0.00 N ATOM 377 CA GLU A 24 1.805 6.930 2.423 1.00 0.00 C ATOM 378 C GLU A 24 2.775 7.373 1.337 1.00 0.00 C ATOM 379 O GLU A 24 2.370 7.911 0.302 1.00 0.00 O ATOM 380 CB GLU A 24 1.499 8.099 3.360 1.00 0.00 C ATOM 381 CG GLU A 24 0.675 7.695 4.574 1.00 0.00 C ATOM 382 CD GLU A 24 0.426 8.842 5.525 1.00 0.00 C ATOM 383 OE1 GLU A 24 -0.579 9.560 5.339 1.00 0.00 O ATOM 384 OE2 GLU A 24 1.221 9.022 6.470 1.00 0.00 O ATOM 0 H GLU A 24 2.654 6.076 4.135 1.00 0.00 H new ATOM 0 HA GLU A 24 0.884 6.597 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.437 8.541 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.964 8.870 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.281 7.293 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.189 6.894 5.106 1.00 0.00 H new ATOM 391 N SER A 25 4.054 7.130 1.583 1.00 0.00 N ATOM 392 CA SER A 25 5.113 7.535 0.673 1.00 0.00 C ATOM 393 C SER A 25 4.990 6.856 -0.693 1.00 0.00 C ATOM 394 O SER A 25 5.030 7.521 -1.727 1.00 0.00 O ATOM 395 CB SER A 25 6.468 7.205 1.297 1.00 0.00 C ATOM 396 OG SER A 25 6.502 7.598 2.661 1.00 0.00 O ATOM 0 H SER A 25 4.386 6.647 2.418 1.00 0.00 H new ATOM 0 HA SER A 25 5.024 8.609 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.660 6.135 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.260 7.713 0.747 1.00 0.00 H new ATOM 0 HG SER A 25 7.377 7.377 3.043 1.00 0.00 H new ATOM 402 N GLU A 26 4.823 5.538 -0.697 1.00 0.00 N ATOM 403 CA GLU A 26 4.894 4.781 -1.943 1.00 0.00 C ATOM 404 C GLU A 26 3.663 3.902 -2.160 1.00 0.00 C ATOM 405 O GLU A 26 3.699 2.981 -2.976 1.00 0.00 O ATOM 406 CB GLU A 26 6.162 3.924 -1.954 1.00 0.00 C ATOM 407 CG GLU A 26 7.440 4.740 -1.853 1.00 0.00 C ATOM 408 CD GLU A 26 8.685 3.890 -1.981 1.00 0.00 C ATOM 409 OE1 GLU A 26 9.032 3.504 -3.117 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.328 3.605 -0.953 1.00 0.00 O ATOM 0 H GLU A 26 4.640 4.977 0.135 1.00 0.00 H new ATOM 0 HA GLU A 26 4.924 5.499 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.123 3.219 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.186 3.335 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.443 5.502 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.458 5.263 -0.897 1.00 0.00 H new ATOM 417 N GLN A 27 2.580 4.206 -1.447 1.00 0.00 N ATOM 418 CA GLN A 27 1.310 3.485 -1.595 1.00 0.00 C ATOM 419 C GLN A 27 1.482 1.983 -1.368 1.00 0.00 C ATOM 420 O GLN A 27 1.421 1.191 -2.310 1.00 0.00 O ATOM 421 CB GLN A 27 0.704 3.726 -2.985 1.00 0.00 C ATOM 422 CG GLN A 27 0.336 5.176 -3.263 1.00 0.00 C ATOM 423 CD GLN A 27 -0.825 5.665 -2.419 1.00 0.00 C ATOM 424 OE1 GLN A 27 -1.707 4.894 -2.042 1.00 0.00 O ATOM 425 NE2 GLN A 27 -0.834 6.950 -2.109 1.00 0.00 N ATOM 0 H GLN A 27 2.554 4.954 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 27 0.633 3.873 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.414 3.392 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.189 3.110 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.205 5.808 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.083 5.285 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.086 7.560 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.589 7.332 -1.539 1.00 0.00 H new ATOM 434 N LEU A 28 1.702 1.599 -0.119 1.00 0.00 N ATOM 435 CA LEU A 28 1.875 0.193 0.230 1.00 0.00 C ATOM 436 C LEU A 28 1.142 -0.134 1.523 1.00 0.00 C ATOM 437 O LEU A 28 1.120 0.674 2.450 1.00 0.00 O ATOM 438 CB LEU A 28 3.362 -0.151 0.387 1.00 0.00 C ATOM 439 CG LEU A 28 4.193 -0.109 -0.897 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.657 -0.370 -0.589 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.678 -1.129 -1.902 1.00 0.00 C ATOM 0 H LEU A 28 1.765 2.241 0.671 1.00 0.00 H new ATOM 0 HA LEU A 28 1.456 -0.403 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.802 0.541 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.441 -1.150 0.817 1.00 0.00 H new ATOM 0 HG LEU A 28 4.099 0.885 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.235 -0.337 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.026 0.392 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.763 -1.353 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.282 -1.084 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.743 -2.128 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.639 -0.906 -2.147 1.00 0.00 H new ATOM 453 N LEU A 29 0.538 -1.313 1.575 1.00 0.00 N ATOM 454 CA LEU A 29 -0.110 -1.789 2.788 1.00 0.00 C ATOM 455 C LEU A 29 0.680 -2.958 3.353 1.00 0.00 C ATOM 456 O LEU A 29 0.686 -4.043 2.781 1.00 0.00 O ATOM 457 CB LEU A 29 -1.552 -2.219 2.502 1.00 0.00 C ATOM 458 CG LEU A 29 -2.489 -1.101 2.047 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.844 -1.674 1.672 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.642 -0.060 3.149 1.00 0.00 C ATOM 0 H LEU A 29 0.484 -1.959 0.788 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.137 -0.978 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.537 -2.993 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.964 -2.672 3.404 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.059 -0.618 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.503 -0.868 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.724 -2.391 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.279 -2.175 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.312 0.731 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.057 -0.532 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.667 0.366 3.385 1.00 0.00 H new ATOM 472 N VAL A 30 1.346 -2.740 4.472 1.00 0.00 N ATOM 473 CA VAL A 30 2.222 -3.754 5.039 1.00 0.00 C ATOM 474 C VAL A 30 1.710 -4.213 6.394 1.00 0.00 C ATOM 475 O VAL A 30 1.334 -3.397 7.229 1.00 0.00 O ATOM 476 CB VAL A 30 3.668 -3.230 5.201 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.599 -4.342 5.671 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.171 -2.622 3.897 1.00 0.00 C ATOM 0 H VAL A 30 1.299 -1.873 5.007 1.00 0.00 H new ATOM 0 HA VAL A 30 2.227 -4.594 4.344 1.00 0.00 H new ATOM 0 HB VAL A 30 3.661 -2.449 5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.610 -3.949 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.254 -4.723 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.599 -5.150 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.190 -2.260 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.157 -3.379 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.526 -1.791 3.610 1.00 0.00 H new ATOM 488 N ASN A 31 1.688 -5.517 6.616 1.00 0.00 N ATOM 489 CA ASN A 31 1.305 -6.040 7.917 1.00 0.00 C ATOM 490 C ASN A 31 2.508 -6.677 8.594 1.00 0.00 C ATOM 491 O ASN A 31 3.040 -7.681 8.120 1.00 0.00 O ATOM 492 CB ASN A 31 0.170 -7.055 7.790 1.00 0.00 C ATOM 493 CG ASN A 31 -0.256 -7.614 9.136 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.109 -6.958 10.165 1.00 0.00 O ATOM 495 ND2 ASN A 31 -0.775 -8.830 9.134 1.00 0.00 N ATOM 0 H ASN A 31 1.928 -6.225 5.922 1.00 0.00 H new ATOM 0 HA ASN A 31 0.948 -5.211 8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.686 -6.582 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.488 -7.873 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.072 -9.259 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.879 -9.339 8.256 1.00 0.00 H new ATOM 502 N GLU A 32 2.922 -6.095 9.712 1.00 0.00 N ATOM 503 CA GLU A 32 4.090 -6.575 10.444 1.00 0.00 C ATOM 504 C GLU A 32 3.776 -7.885 11.159 1.00 0.00 C ATOM 505 O GLU A 32 4.674 -8.618 11.559 1.00 0.00 O ATOM 506 CB GLU A 32 4.554 -5.527 11.458 1.00 0.00 C ATOM 507 CG GLU A 32 4.850 -4.166 10.847 1.00 0.00 C ATOM 508 CD GLU A 32 5.321 -3.156 11.874 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.603 -2.939 12.871 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.407 -2.568 11.688 1.00 0.00 O ATOM 0 H GLU A 32 2.465 -5.287 10.134 1.00 0.00 H new ATOM 0 HA GLU A 32 4.891 -6.751 9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.786 -5.411 12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.451 -5.892 11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.612 -4.276 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.952 -3.789 10.357 1.00 0.00 H new ATOM 517 N ARG A 33 2.490 -8.177 11.295 1.00 0.00 N ATOM 518 CA ARG A 33 2.045 -9.401 11.946 1.00 0.00 C ATOM 519 C ARG A 33 2.347 -10.615 11.066 1.00 0.00 C ATOM 520 O ARG A 33 2.415 -11.742 11.554 1.00 0.00 O ATOM 521 CB ARG A 33 0.544 -9.318 12.246 1.00 0.00 C ATOM 522 CG ARG A 33 0.158 -8.098 13.073 1.00 0.00 C ATOM 523 CD ARG A 33 -1.354 -7.900 13.133 1.00 0.00 C ATOM 524 NE ARG A 33 -2.026 -8.994 13.830 1.00 0.00 N ATOM 525 CZ ARG A 33 -2.390 -8.946 15.115 1.00 0.00 C ATOM 526 NH1 ARG A 33 -2.239 -7.826 15.812 1.00 0.00 N ATOM 527 NH2 ARG A 33 -2.929 -10.010 15.697 1.00 0.00 N ATOM 0 H ARG A 33 1.733 -7.580 10.961 1.00 0.00 H new ATOM 0 HA ARG A 33 2.586 -9.516 12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.006 -9.299 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.237 -10.219 12.777 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.549 -8.208 14.084 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.623 -7.209 12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.576 -6.959 13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.749 -7.820 12.120 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.229 -9.845 13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.844 -6.998 15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.518 -7.794 16.793 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.067 -10.868 15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.206 -9.969 16.678 1.00 0.00 H new ATOM 541 N LEU A 34 2.538 -10.368 9.770 1.00 0.00 N ATOM 542 CA LEU A 34 2.813 -11.440 8.811 1.00 0.00 C ATOM 543 C LEU A 34 4.139 -11.210 8.093 1.00 0.00 C ATOM 544 O LEU A 34 4.685 -12.131 7.486 1.00 0.00 O ATOM 545 CB LEU A 34 1.693 -11.522 7.772 1.00 0.00 C ATOM 546 CG LEU A 34 0.292 -11.757 8.329 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.737 -11.611 7.222 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.192 -13.136 8.965 1.00 0.00 C ATOM 0 H LEU A 34 2.507 -9.435 9.359 1.00 0.00 H new ATOM 0 HA LEU A 34 2.870 -12.375 9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.686 -10.595 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.927 -12.327 7.075 1.00 0.00 H new ATOM 0 HG LEU A 34 0.093 -11.011 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.734 -11.780 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.681 -10.606 6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.535 -12.342 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.815 -13.284 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.406 -13.898 8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.913 -13.214 9.779 1.00 0.00 H new ATOM 560 N ASN A 35 4.640 -9.974 8.163 1.00 0.00 N ATOM 561 CA ASN A 35 5.827 -9.555 7.409 1.00 0.00 C ATOM 562 C ASN A 35 5.539 -9.585 5.911 1.00 0.00 C ATOM 563 O ASN A 35 6.437 -9.756 5.084 1.00 0.00 O ATOM 564 CB ASN A 35 7.051 -10.425 7.741 1.00 0.00 C ATOM 565 CG ASN A 35 7.597 -10.157 9.129 1.00 0.00 C ATOM 566 OD1 ASN A 35 7.177 -10.771 10.107 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.545 -9.239 9.227 1.00 0.00 N ATOM 0 H ASN A 35 4.237 -9.237 8.741 1.00 0.00 H new ATOM 0 HA ASN A 35 6.064 -8.533 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.777 -11.477 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.834 -10.241 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.952 -9.021 10.137 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.869 -8.749 8.393 1.00 0.00 H new ATOM 574 N LEU A 36 4.272 -9.384 5.569 1.00 0.00 N ATOM 575 CA LEU A 36 3.839 -9.393 4.181 1.00 0.00 C ATOM 576 C LEU A 36 3.254 -8.040 3.810 1.00 0.00 C ATOM 577 O LEU A 36 2.640 -7.371 4.647 1.00 0.00 O ATOM 578 CB LEU A 36 2.795 -10.489 3.949 1.00 0.00 C ATOM 579 CG LEU A 36 3.282 -11.922 4.178 1.00 0.00 C ATOM 580 CD1 LEU A 36 2.140 -12.907 3.985 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.431 -12.258 3.238 1.00 0.00 C ATOM 0 H LEU A 36 3.524 -9.212 6.240 1.00 0.00 H new ATOM 0 HA LEU A 36 4.705 -9.596 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.946 -10.303 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.429 -10.407 2.925 1.00 0.00 H new ATOM 0 HG LEU A 36 3.643 -11.999 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.502 -13.921 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.344 -12.685 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.754 -12.822 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.761 -13.281 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.096 -12.161 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.259 -11.573 3.417 1.00 0.00 H new ATOM 593 N ALA A 37 3.443 -7.648 2.562 1.00 0.00 N ATOM 594 CA ALA A 37 2.942 -6.379 2.073 1.00 0.00 C ATOM 595 C ALA A 37 2.017 -6.585 0.885 1.00 0.00 C ATOM 596 O ALA A 37 2.254 -7.444 0.033 1.00 0.00 O ATOM 597 CB ALA A 37 4.096 -5.471 1.686 1.00 0.00 C ATOM 0 H ALA A 37 3.945 -8.198 1.864 1.00 0.00 H new ATOM 0 HA ALA A 37 2.373 -5.906 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.705 -4.521 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.727 -5.293 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.686 -5.946 0.902 1.00 0.00 H new ATOM 603 N TYR A 38 0.958 -5.801 0.850 1.00 0.00 N ATOM 604 CA TYR A 38 0.005 -5.831 -0.238 1.00 0.00 C ATOM 605 C TYR A 38 0.157 -4.561 -1.062 1.00 0.00 C ATOM 606 O TYR A 38 0.449 -3.489 -0.520 1.00 0.00 O ATOM 607 CB TYR A 38 -1.421 -5.963 0.301 1.00 0.00 C ATOM 608 CG TYR A 38 -1.610 -7.163 1.205 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.831 -8.427 0.676 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.549 -7.031 2.587 1.00 0.00 C ATOM 611 CE1 TYR A 38 -1.994 -9.526 1.500 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.710 -8.125 3.416 1.00 0.00 C ATOM 613 CZ TYR A 38 -1.929 -9.370 2.869 1.00 0.00 C ATOM 614 OH TYR A 38 -2.084 -10.466 3.692 1.00 0.00 O ATOM 0 H TYR A 38 0.735 -5.123 1.579 1.00 0.00 H new ATOM 0 HA TYR A 38 0.200 -6.697 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.680 -5.058 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.114 -6.035 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.876 -8.554 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.373 -6.058 3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.171 -10.502 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.664 -8.004 4.488 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.778 -10.242 4.596 1.00 0.00 H new ATOM 624 N ARG A 39 -0.034 -4.679 -2.360 1.00 0.00 N ATOM 625 CA ARG A 39 0.261 -3.581 -3.267 1.00 0.00 C ATOM 626 C ARG A 39 -0.955 -2.696 -3.493 1.00 0.00 C ATOM 627 O ARG A 39 -2.075 -3.183 -3.620 1.00 0.00 O ATOM 628 CB ARG A 39 0.734 -4.135 -4.613 1.00 0.00 C ATOM 629 CG ARG A 39 1.923 -5.071 -4.504 1.00 0.00 C ATOM 630 CD ARG A 39 2.189 -5.770 -5.825 1.00 0.00 C ATOM 631 NE ARG A 39 3.297 -6.715 -5.727 1.00 0.00 N ATOM 632 CZ ARG A 39 3.221 -7.992 -6.098 1.00 0.00 C ATOM 633 NH1 ARG A 39 2.085 -8.491 -6.568 1.00 0.00 N ATOM 634 NH2 ARG A 39 4.285 -8.771 -5.981 1.00 0.00 N ATOM 0 H ARG A 39 -0.391 -5.520 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 39 1.044 -2.976 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.092 -4.665 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.997 -3.303 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.806 -4.509 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.736 -5.813 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.290 -6.297 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.412 -5.027 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 39 4.183 -6.377 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.261 -7.896 -6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.036 -9.470 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.156 -8.392 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.234 -9.750 -6.263 1.00 0.00 H new ATOM 648 N ILE A 40 -0.725 -1.394 -3.539 1.00 0.00 N ATOM 649 CA ILE A 40 -1.730 -0.467 -4.013 1.00 0.00 C ATOM 650 C ILE A 40 -1.352 -0.065 -5.424 1.00 0.00 C ATOM 651 O ILE A 40 -0.354 0.621 -5.634 1.00 0.00 O ATOM 652 CB ILE A 40 -1.833 0.789 -3.121 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.162 0.385 -1.681 1.00 0.00 C ATOM 654 CG2 ILE A 40 -2.884 1.749 -3.669 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.224 1.552 -0.716 1.00 0.00 C ATOM 0 H ILE A 40 0.152 -0.958 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.705 -0.954 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.872 1.303 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.120 -0.135 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.411 -0.323 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.943 2.628 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.607 2.054 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.854 1.252 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.462 1.186 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.260 2.060 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.995 2.251 -1.039 1.00 0.00 H new ATOM 667 N ASP A 41 -2.139 -0.501 -6.388 1.00 0.00 N ATOM 668 CA ASP A 41 -1.766 -0.355 -7.782 1.00 0.00 C ATOM 669 C ASP A 41 -2.748 0.544 -8.514 1.00 0.00 C ATOM 670 O ASP A 41 -3.873 0.138 -8.810 1.00 0.00 O ATOM 671 CB ASP A 41 -1.680 -1.729 -8.453 1.00 0.00 C ATOM 672 CG ASP A 41 -1.120 -1.664 -9.860 1.00 0.00 C ATOM 673 OD1 ASP A 41 0.043 -1.240 -10.018 1.00 0.00 O ATOM 674 OD2 ASP A 41 -1.826 -2.073 -10.808 1.00 0.00 O ATOM 0 H ASP A 41 -3.038 -0.958 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.784 0.116 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.054 -2.385 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.674 -2.176 -8.483 1.00 0.00 H new ATOM 679 N ASP A 42 -2.310 1.773 -8.763 1.00 0.00 N ATOM 680 CA ASP A 42 -3.103 2.777 -9.468 1.00 0.00 C ATOM 681 C ASP A 42 -4.444 3.017 -8.772 1.00 0.00 C ATOM 682 O ASP A 42 -5.501 2.648 -9.278 1.00 0.00 O ATOM 683 CB ASP A 42 -3.316 2.369 -10.932 1.00 0.00 C ATOM 684 CG ASP A 42 -3.954 3.469 -11.762 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.252 4.448 -12.103 1.00 0.00 O ATOM 686 OD2 ASP A 42 -5.147 3.352 -12.096 1.00 0.00 O ATOM 0 H ASP A 42 -1.388 2.104 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.547 3.714 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.356 2.098 -11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.946 1.480 -10.969 1.00 0.00 H new ATOM 691 N GLY A 43 -4.377 3.589 -7.575 1.00 0.00 N ATOM 692 CA GLY A 43 -5.579 3.985 -6.857 1.00 0.00 C ATOM 693 C GLY A 43 -6.342 2.828 -6.232 1.00 0.00 C ATOM 694 O GLY A 43 -7.275 3.047 -5.457 1.00 0.00 O ATOM 0 H GLY A 43 -3.505 3.788 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.304 4.690 -6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.241 4.513 -7.543 1.00 0.00 H new ATOM 698 N ILE A 44 -5.964 1.600 -6.558 1.00 0.00 N ATOM 699 CA ILE A 44 -6.675 0.436 -6.047 1.00 0.00 C ATOM 700 C ILE A 44 -5.745 -0.481 -5.256 1.00 0.00 C ATOM 701 O ILE A 44 -4.796 -1.045 -5.801 1.00 0.00 O ATOM 702 CB ILE A 44 -7.346 -0.370 -7.188 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.362 0.507 -7.928 1.00 0.00 C ATOM 704 CG2 ILE A 44 -8.023 -1.621 -6.637 1.00 0.00 C ATOM 705 CD1 ILE A 44 -9.043 -0.188 -9.087 1.00 0.00 C ATOM 0 H ILE A 44 -5.176 1.384 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.452 0.812 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.574 -0.682 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.121 0.842 -7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.856 1.399 -8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.488 -2.173 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.280 -2.252 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.786 -1.333 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.747 0.497 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.294 -0.499 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.579 -1.064 -8.722 1.00 0.00 H new ATOM 717 N PRO A 45 -5.995 -0.615 -3.947 1.00 0.00 N ATOM 718 CA PRO A 45 -5.270 -1.555 -3.095 1.00 0.00 C ATOM 719 C PRO A 45 -5.680 -2.994 -3.391 1.00 0.00 C ATOM 720 O PRO A 45 -6.846 -3.359 -3.247 1.00 0.00 O ATOM 721 CB PRO A 45 -5.683 -1.160 -1.667 1.00 0.00 C ATOM 722 CG PRO A 45 -6.417 0.136 -1.801 1.00 0.00 C ATOM 723 CD PRO A 45 -6.992 0.145 -3.188 1.00 0.00 C ATOM 0 HA PRO A 45 -4.192 -1.510 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.317 -1.924 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.810 -1.051 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.204 0.218 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.746 0.982 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.975 -0.325 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.110 1.158 -3.572 1.00 0.00 H new ATOM 731 N VAL A 46 -4.728 -3.806 -3.813 1.00 0.00 N ATOM 732 CA VAL A 46 -5.021 -5.174 -4.196 1.00 0.00 C ATOM 733 C VAL A 46 -4.812 -6.117 -3.011 1.00 0.00 C ATOM 734 O VAL A 46 -3.689 -6.545 -2.728 1.00 0.00 O ATOM 735 CB VAL A 46 -4.148 -5.627 -5.382 1.00 0.00 C ATOM 736 CG1 VAL A 46 -4.585 -6.992 -5.884 1.00 0.00 C ATOM 737 CG2 VAL A 46 -4.193 -4.603 -6.508 1.00 0.00 C ATOM 0 H VAL A 46 -3.747 -3.542 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.065 -5.211 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.119 -5.706 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.954 -7.291 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.491 -7.722 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.624 -6.944 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.570 -4.944 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.220 -4.486 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.821 -3.645 -6.144 1.00 0.00 H new ATOM 747 N LEU A 47 -5.894 -6.409 -2.307 1.00 0.00 N ATOM 748 CA LEU A 47 -5.841 -7.301 -1.162 1.00 0.00 C ATOM 749 C LEU A 47 -6.092 -8.735 -1.603 1.00 0.00 C ATOM 750 O LEU A 47 -7.233 -9.194 -1.643 1.00 0.00 O ATOM 751 CB LEU A 47 -6.868 -6.889 -0.103 1.00 0.00 C ATOM 752 CG LEU A 47 -6.696 -5.474 0.459 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.778 -5.174 1.484 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.314 -5.312 1.076 1.00 0.00 C ATOM 0 H LEU A 47 -6.823 -6.039 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.847 -7.233 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.865 -6.972 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.819 -7.599 0.723 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.793 -4.762 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.641 -4.165 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.758 -5.251 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.712 -5.891 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.208 -4.301 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.190 -6.032 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.553 -5.486 0.315 1.00 0.00 H new ATOM 766 N LEU A 48 -5.023 -9.418 -1.975 1.00 0.00 N ATOM 767 CA LEU A 48 -5.100 -10.810 -2.386 1.00 0.00 C ATOM 768 C LEU A 48 -3.993 -11.608 -1.713 1.00 0.00 C ATOM 769 O LEU A 48 -3.015 -11.037 -1.227 1.00 0.00 O ATOM 770 CB LEU A 48 -4.977 -10.941 -3.910 1.00 0.00 C ATOM 771 CG LEU A 48 -6.125 -10.336 -4.723 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.854 -10.486 -6.212 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.447 -10.990 -4.352 1.00 0.00 C ATOM 0 H LEU A 48 -4.082 -9.026 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.071 -11.202 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.046 -10.468 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.897 -11.999 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.192 -9.274 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.678 -10.052 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.928 -9.971 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.761 -11.543 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.250 -10.546 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.394 -12.059 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.645 -10.834 -3.292 1.00 0.00 H new ATOM 785 N ILE A 49 -4.140 -12.922 -1.700 1.00 0.00 N ATOM 786 CA ILE A 49 -3.152 -13.792 -1.080 1.00 0.00 C ATOM 787 C ILE A 49 -1.941 -13.950 -1.993 1.00 0.00 C ATOM 788 O ILE A 49 -0.800 -13.959 -1.536 1.00 0.00 O ATOM 789 CB ILE A 49 -3.745 -15.181 -0.759 1.00 0.00 C ATOM 790 CG1 ILE A 49 -4.946 -15.037 0.180 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.685 -16.092 -0.148 1.00 0.00 C ATOM 792 CD1 ILE A 49 -5.618 -16.352 0.520 1.00 0.00 C ATOM 0 H ILE A 49 -4.935 -13.411 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.844 -13.327 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.085 -15.638 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.618 -14.558 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.678 -14.374 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.124 -17.065 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.862 -16.215 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.311 -15.647 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.459 -16.169 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.978 -16.824 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.901 -17.011 1.011 1.00 0.00 H new ATOM 804 N ASP A 50 -2.201 -14.038 -3.292 1.00 0.00 N ATOM 805 CA ASP A 50 -1.143 -14.232 -4.281 1.00 0.00 C ATOM 806 C ASP A 50 -0.359 -12.944 -4.508 1.00 0.00 C ATOM 807 O ASP A 50 0.766 -12.973 -5.007 1.00 0.00 O ATOM 808 CB ASP A 50 -1.729 -14.739 -5.605 1.00 0.00 C ATOM 809 CG ASP A 50 -2.266 -16.154 -5.491 1.00 0.00 C ATOM 810 OD1 ASP A 50 -3.447 -16.323 -5.109 1.00 0.00 O ATOM 811 OD2 ASP A 50 -1.505 -17.104 -5.779 1.00 0.00 O ATOM 0 H ASP A 50 -3.139 -13.978 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.456 -14.983 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.531 -14.073 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.960 -14.705 -6.377 1.00 0.00 H new ATOM 816 N GLU A 51 -0.950 -11.820 -4.124 1.00 0.00 N ATOM 817 CA GLU A 51 -0.302 -10.522 -4.271 1.00 0.00 C ATOM 818 C GLU A 51 0.560 -10.199 -3.057 1.00 0.00 C ATOM 819 O GLU A 51 1.293 -9.208 -3.049 1.00 0.00 O ATOM 820 CB GLU A 51 -1.343 -9.422 -4.472 1.00 0.00 C ATOM 821 CG GLU A 51 -2.011 -9.458 -5.837 1.00 0.00 C ATOM 822 CD GLU A 51 -1.038 -9.201 -6.969 1.00 0.00 C ATOM 823 OE1 GLU A 51 -0.604 -8.041 -7.136 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.699 -10.155 -7.698 1.00 0.00 O ATOM 0 H GLU A 51 -1.880 -11.781 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 51 0.341 -10.570 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.108 -9.512 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.865 -8.452 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.482 -10.430 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.805 -8.712 -5.869 1.00 0.00 H new ATOM 831 N ALA A 52 0.469 -11.038 -2.035 1.00 0.00 N ATOM 832 CA ALA A 52 1.234 -10.837 -0.817 1.00 0.00 C ATOM 833 C ALA A 52 2.725 -10.996 -1.090 1.00 0.00 C ATOM 834 O ALA A 52 3.184 -12.066 -1.494 1.00 0.00 O ATOM 835 CB ALA A 52 0.786 -11.808 0.264 1.00 0.00 C ATOM 0 H ALA A 52 -0.128 -11.865 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 52 1.053 -9.822 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.371 -11.641 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.270 -11.649 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.935 -12.831 -0.081 1.00 0.00 H new ATOM 841 N THR A 53 3.468 -9.924 -0.887 1.00 0.00 N ATOM 842 CA THR A 53 4.904 -9.942 -1.081 1.00 0.00 C ATOM 843 C THR A 53 5.610 -9.915 0.268 1.00 0.00 C ATOM 844 O THR A 53 5.086 -9.354 1.230 1.00 0.00 O ATOM 845 CB THR A 53 5.352 -8.729 -1.916 1.00 0.00 C ATOM 846 OG1 THR A 53 4.411 -8.501 -2.975 1.00 0.00 O ATOM 847 CG2 THR A 53 6.734 -8.952 -2.509 1.00 0.00 C ATOM 0 H THR A 53 3.096 -9.023 -0.585 1.00 0.00 H new ATOM 0 HA THR A 53 5.168 -10.856 -1.614 1.00 0.00 H new ATOM 0 HB THR A 53 5.394 -7.860 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.696 -7.728 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.024 -8.079 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.454 -9.106 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.716 -9.831 -3.154 1.00 0.00 H new ATOM 855 N GLU A 54 6.784 -10.524 0.343 1.00 0.00 N ATOM 856 CA GLU A 54 7.569 -10.518 1.570 1.00 0.00 C ATOM 857 C GLU A 54 8.197 -9.145 1.754 1.00 0.00 C ATOM 858 O GLU A 54 8.893 -8.654 0.862 1.00 0.00 O ATOM 859 CB GLU A 54 8.655 -11.596 1.514 1.00 0.00 C ATOM 860 CG GLU A 54 8.120 -12.981 1.181 1.00 0.00 C ATOM 861 CD GLU A 54 9.217 -14.017 1.053 1.00 0.00 C ATOM 862 OE1 GLU A 54 10.344 -13.657 0.647 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.953 -15.207 1.325 1.00 0.00 O ATOM 0 H GLU A 54 7.215 -11.029 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 54 6.918 -10.735 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.398 -11.313 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.167 -11.635 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.421 -13.292 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.559 -12.934 0.247 1.00 0.00 H new ATOM 870 N TRP A 55 7.946 -8.520 2.894 1.00 0.00 N ATOM 871 CA TRP A 55 8.412 -7.164 3.127 1.00 0.00 C ATOM 872 C TRP A 55 9.011 -7.031 4.520 1.00 0.00 C ATOM 873 O TRP A 55 8.355 -7.328 5.519 1.00 0.00 O ATOM 874 CB TRP A 55 7.257 -6.175 2.947 1.00 0.00 C ATOM 875 CG TRP A 55 7.687 -4.740 2.944 1.00 0.00 C ATOM 876 CD1 TRP A 55 7.724 -3.893 4.014 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.144 -3.985 1.817 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.176 -2.658 3.622 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.440 -2.689 2.277 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.331 -4.278 0.462 1.00 0.00 C ATOM 881 CZ2 TRP A 55 8.913 -1.688 1.431 1.00 0.00 C ATOM 882 CZ3 TRP A 55 8.801 -3.284 -0.376 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.088 -2.004 0.110 1.00 0.00 C ATOM 0 H TRP A 55 7.424 -8.929 3.669 1.00 0.00 H new ATOM 0 HA TRP A 55 9.191 -6.935 2.399 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.746 -6.394 2.009 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.533 -6.326 3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.439 -4.156 5.022 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.296 -1.849 4.232 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.112 -5.263 0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.134 -0.699 1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.949 -3.499 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.455 -1.250 -0.570 1.00 0.00 H new ATOM 894 N THR A 56 10.257 -6.576 4.567 1.00 0.00 N ATOM 895 CA THR A 56 10.977 -6.383 5.819 1.00 0.00 C ATOM 896 C THR A 56 11.152 -7.697 6.583 1.00 0.00 C ATOM 897 O THR A 56 10.317 -8.078 7.407 1.00 0.00 O ATOM 898 CB THR A 56 10.287 -5.330 6.712 1.00 0.00 C ATOM 899 OG1 THR A 56 10.252 -4.070 6.026 1.00 0.00 O ATOM 900 CG2 THR A 56 11.011 -5.158 8.042 1.00 0.00 C ATOM 0 H THR A 56 10.797 -6.330 3.737 1.00 0.00 H new ATOM 0 HA THR A 56 11.968 -6.013 5.557 1.00 0.00 H new ATOM 0 HB THR A 56 9.275 -5.678 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.479 -4.046 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.495 -4.409 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.020 -6.108 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.036 -4.834 7.859 1.00 0.00 H new ATOM 908 N PRO A 57 12.232 -8.427 6.286 1.00 0.00 N ATOM 909 CA PRO A 57 12.592 -9.625 7.025 1.00 0.00 C ATOM 910 C PRO A 57 13.440 -9.294 8.248 1.00 0.00 C ATOM 911 O PRO A 57 13.996 -8.193 8.347 1.00 0.00 O ATOM 912 CB PRO A 57 13.402 -10.415 6.003 1.00 0.00 C ATOM 913 CG PRO A 57 14.067 -9.378 5.158 1.00 0.00 C ATOM 914 CD PRO A 57 13.183 -8.153 5.188 1.00 0.00 C ATOM 0 HA PRO A 57 11.728 -10.164 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.135 -11.057 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.760 -11.061 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.061 -9.146 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.195 -9.736 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.761 -7.248 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.667 -8.010 4.239 1.00 0.00 H new ATOM 922 N ASN A 58 13.525 -10.236 9.181 1.00 0.00 N ATOM 923 CA ASN A 58 14.357 -10.063 10.365 1.00 0.00 C ATOM 924 C ASN A 58 15.821 -9.959 9.958 1.00 0.00 C ATOM 925 O ASN A 58 16.262 -10.644 9.034 1.00 0.00 O ATOM 926 CB ASN A 58 14.168 -11.231 11.342 1.00 0.00 C ATOM 927 CG ASN A 58 12.767 -11.287 11.923 1.00 0.00 C ATOM 928 OD1 ASN A 58 11.860 -11.878 11.332 1.00 0.00 O ATOM 929 ND2 ASN A 58 12.583 -10.688 13.089 1.00 0.00 N ATOM 0 H ASN A 58 13.028 -11.126 9.140 1.00 0.00 H new ATOM 0 HA ASN A 58 14.054 -9.144 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.381 -12.168 10.828 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.890 -11.141 12.153 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.664 -10.705 13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.360 -10.210 13.545 1.00 0.00 H new ATOM 936 N ASN A 59 16.572 -9.109 10.647 1.00 0.00 N ATOM 937 CA ASN A 59 17.977 -8.872 10.306 1.00 0.00 C ATOM 938 C ASN A 59 18.865 -9.975 10.886 1.00 0.00 C ATOM 939 O ASN A 59 19.892 -9.704 11.506 1.00 0.00 O ATOM 940 CB ASN A 59 18.402 -7.494 10.832 1.00 0.00 C ATOM 941 CG ASN A 59 19.704 -6.989 10.227 1.00 0.00 C ATOM 942 OD1 ASN A 59 20.787 -7.188 10.778 1.00 0.00 O ATOM 943 ND2 ASN A 59 19.601 -6.318 9.090 1.00 0.00 N ATOM 0 H ASN A 59 16.236 -8.571 11.445 1.00 0.00 H new ATOM 0 HA ASN A 59 18.093 -8.889 9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.610 -6.774 10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.510 -7.545 11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.437 -5.945 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.685 -6.174 8.664 1.00 0.00 H new ATOM 950 N LEU A 60 18.449 -11.225 10.661 1.00 0.00 N ATOM 951 CA LEU A 60 19.141 -12.397 11.173 1.00 0.00 C ATOM 952 C LEU A 60 19.486 -12.208 12.647 1.00 0.00 C ATOM 953 O LEU A 60 20.651 -12.231 13.040 1.00 0.00 O ATOM 954 CB LEU A 60 20.399 -12.677 10.345 1.00 0.00 C ATOM 955 CG LEU A 60 21.058 -14.029 10.613 1.00 0.00 C ATOM 956 CD1 LEU A 60 20.117 -15.166 10.234 1.00 0.00 C ATOM 957 CD2 LEU A 60 22.374 -14.142 9.856 1.00 0.00 C ATOM 0 H LEU A 60 17.617 -11.446 10.114 1.00 0.00 H new ATOM 0 HA LEU A 60 18.481 -13.260 11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.141 -12.618 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 21.127 -11.889 10.540 1.00 0.00 H new ATOM 0 HG LEU A 60 21.271 -14.104 11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.603 -16.122 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.204 -15.094 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 60 19.871 -15.096 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 60 22.829 -15.112 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.188 -14.046 8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 60 23.049 -13.350 10.180 1.00 0.00 H new ATOM 969 N GLU A 61 18.453 -12.016 13.457 1.00 0.00 N ATOM 970 CA GLU A 61 18.620 -11.668 14.863 1.00 0.00 C ATOM 971 C GLU A 61 18.970 -12.889 15.712 1.00 0.00 C ATOM 972 O GLU A 61 18.266 -13.217 16.672 1.00 0.00 O ATOM 973 CB GLU A 61 17.345 -11.000 15.378 1.00 0.00 C ATOM 974 CG GLU A 61 16.979 -9.740 14.608 1.00 0.00 C ATOM 975 CD GLU A 61 15.651 -9.157 15.033 1.00 0.00 C ATOM 976 OE1 GLU A 61 15.620 -8.395 16.022 1.00 0.00 O ATOM 977 OE2 GLU A 61 14.630 -9.461 14.381 1.00 0.00 O ATOM 0 H GLU A 61 17.480 -12.096 13.161 1.00 0.00 H new ATOM 0 HA GLU A 61 19.454 -10.971 14.946 1.00 0.00 H new ATOM 0 HB2 GLU A 61 16.520 -11.709 15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.472 -10.751 16.431 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.760 -8.993 14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.946 -9.968 13.543 1.00 0.00 H new TER 984 GLU A 61