USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 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 13 CYS SG : rot -140:sc= 0.325 USER MOD Set 1.2: A 38 TYR OH : rot 28:sc= 0.622 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0752 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0775 X(o=-0.077,f=-0.17) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= -0.0261 (180deg=-0.155) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc=-0.000488 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 27 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.078) USER MOD Single : A 31 ASN : amide:sc= 0.345 K(o=0.35,f=-12!) USER MOD Single : A 35 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 75:sc= 0.164 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.588 17.585 12.330 1.00 0.00 N ATOM 2 CA MET A 1 -6.064 17.538 12.420 1.00 0.00 C ATOM 3 C MET A 1 -6.672 17.296 11.041 1.00 0.00 C ATOM 4 O MET A 1 -6.055 17.621 10.025 1.00 0.00 O ATOM 5 CB MET A 1 -6.592 18.853 13.012 1.00 0.00 C ATOM 6 CG MET A 1 -8.086 18.848 13.299 1.00 0.00 C ATOM 7 SD MET A 1 -8.652 20.379 14.070 1.00 0.00 S ATOM 8 CE MET A 1 -10.386 20.002 14.328 1.00 0.00 C ATOM 0 H1 MET A 1 -4.184 16.757 12.812 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.301 17.578 11.330 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.240 18.453 12.784 1.00 0.00 H new ATOM 0 HA MET A 1 -6.352 16.715 13.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.056 19.064 13.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.368 19.666 12.321 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.630 18.692 12.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.324 18.008 13.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.877 20.853 14.799 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.860 19.795 13.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.476 19.128 14.974 1.00 0.00 H new ATOM 20 N SER A 2 -7.860 16.686 11.027 1.00 0.00 N ATOM 21 CA SER A 2 -8.655 16.496 9.811 1.00 0.00 C ATOM 22 C SER A 2 -8.094 15.388 8.913 1.00 0.00 C ATOM 23 O SER A 2 -6.877 15.259 8.728 1.00 0.00 O ATOM 24 CB SER A 2 -8.774 17.815 9.038 1.00 0.00 C ATOM 25 OG SER A 2 -9.267 18.854 9.873 1.00 0.00 O ATOM 0 H SER A 2 -8.300 16.307 11.865 1.00 0.00 H new ATOM 0 HA SER A 2 -9.650 16.177 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.799 18.096 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.440 17.682 8.186 1.00 0.00 H new ATOM 0 HG SER A 2 -9.332 19.685 9.357 1.00 0.00 H new ATOM 31 N LEU A 3 -9.001 14.586 8.363 1.00 0.00 N ATOM 32 CA LEU A 3 -8.644 13.496 7.463 1.00 0.00 C ATOM 33 C LEU A 3 -9.898 12.999 6.743 1.00 0.00 C ATOM 34 O LEU A 3 -11.012 13.384 7.101 1.00 0.00 O ATOM 35 CB LEU A 3 -7.986 12.350 8.247 1.00 0.00 C ATOM 36 CG LEU A 3 -7.337 11.253 7.398 1.00 0.00 C ATOM 37 CD1 LEU A 3 -6.196 11.818 6.571 1.00 0.00 C ATOM 38 CD2 LEU A 3 -6.843 10.122 8.284 1.00 0.00 C ATOM 0 H LEU A 3 -10.004 14.674 8.529 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.929 13.859 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.226 12.773 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.740 11.891 8.886 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.089 10.857 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.749 11.022 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.577 12.596 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.442 12.242 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.384 9.350 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.107 10.507 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.683 9.696 8.833 1.00 0.00 H new ATOM 50 N ASP A 4 -9.718 12.154 5.732 1.00 0.00 N ATOM 51 CA ASP A 4 -10.843 11.588 4.991 1.00 0.00 C ATOM 52 C ASP A 4 -10.780 10.062 5.006 1.00 0.00 C ATOM 53 O ASP A 4 -10.175 9.447 4.129 1.00 0.00 O ATOM 54 CB ASP A 4 -10.876 12.101 3.548 1.00 0.00 C ATOM 55 CG ASP A 4 -12.132 11.664 2.813 1.00 0.00 C ATOM 56 OD1 ASP A 4 -13.169 12.355 2.939 1.00 0.00 O ATOM 57 OD2 ASP A 4 -12.090 10.636 2.104 1.00 0.00 O ATOM 0 H ASP A 4 -8.802 11.845 5.406 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.760 11.910 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.818 13.189 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.999 11.736 3.014 1.00 0.00 H new ATOM 62 N PRO A 5 -11.370 9.431 6.037 1.00 0.00 N ATOM 63 CA PRO A 5 -11.332 7.970 6.207 1.00 0.00 C ATOM 64 C PRO A 5 -12.164 7.221 5.166 1.00 0.00 C ATOM 65 O PRO A 5 -12.117 5.991 5.097 1.00 0.00 O ATOM 66 CB PRO A 5 -11.921 7.764 7.604 1.00 0.00 C ATOM 67 CG PRO A 5 -12.791 8.949 7.828 1.00 0.00 C ATOM 68 CD PRO A 5 -12.120 10.095 7.121 1.00 0.00 C ATOM 0 HA PRO A 5 -10.322 7.580 6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.493 6.838 7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -11.137 7.701 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.792 8.779 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.900 9.157 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -12.846 10.807 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.459 10.648 7.788 1.00 0.00 H new ATOM 76 N GLN A 6 -12.908 7.968 4.353 1.00 0.00 N ATOM 77 CA GLN A 6 -13.786 7.379 3.346 1.00 0.00 C ATOM 78 C GLN A 6 -12.984 6.602 2.309 1.00 0.00 C ATOM 79 O GLN A 6 -13.372 5.508 1.903 1.00 0.00 O ATOM 80 CB GLN A 6 -14.606 8.468 2.648 1.00 0.00 C ATOM 81 CG GLN A 6 -15.548 9.221 3.573 1.00 0.00 C ATOM 82 CD GLN A 6 -16.582 8.317 4.214 1.00 0.00 C ATOM 83 OE1 GLN A 6 -16.359 7.771 5.291 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.715 8.148 3.551 1.00 0.00 N ATOM 0 H GLN A 6 -12.920 8.988 4.373 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.461 6.690 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.924 9.180 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.187 8.013 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.968 9.714 4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.055 10.004 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.859 8.621 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.444 7.545 3.932 1.00 0.00 H new ATOM 93 N LEU A 7 -11.857 7.169 1.896 1.00 0.00 N ATOM 94 CA LEU A 7 -11.013 6.554 0.876 1.00 0.00 C ATOM 95 C LEU A 7 -10.225 5.376 1.437 1.00 0.00 C ATOM 96 O LEU A 7 -9.742 4.527 0.687 1.00 0.00 O ATOM 97 CB LEU A 7 -10.039 7.587 0.304 1.00 0.00 C ATOM 98 CG LEU A 7 -10.685 8.781 -0.399 1.00 0.00 C ATOM 99 CD1 LEU A 7 -9.623 9.786 -0.820 1.00 0.00 C ATOM 100 CD2 LEU A 7 -11.483 8.316 -1.609 1.00 0.00 C ATOM 0 H LEU A 7 -11.504 8.057 2.253 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.668 6.186 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.414 7.960 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.378 7.085 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.366 9.267 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.099 10.630 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.087 10.140 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.921 9.309 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.937 9.178 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.820 7.808 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.265 7.628 -1.287 1.00 0.00 H new ATOM 112 N LEU A 8 -10.115 5.324 2.756 1.00 0.00 N ATOM 113 CA LEU A 8 -9.248 4.354 3.409 1.00 0.00 C ATOM 114 C LEU A 8 -9.959 3.030 3.673 1.00 0.00 C ATOM 115 O LEU A 8 -9.404 1.967 3.392 1.00 0.00 O ATOM 116 CB LEU A 8 -8.704 4.929 4.720 1.00 0.00 C ATOM 117 CG LEU A 8 -7.844 6.186 4.571 1.00 0.00 C ATOM 118 CD1 LEU A 8 -7.391 6.681 5.934 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.643 5.908 3.683 1.00 0.00 C ATOM 0 H LEU A 8 -10.615 5.942 3.395 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.421 4.150 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.545 5.159 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.113 4.160 5.218 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.447 6.963 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.780 7.576 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.263 6.918 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.804 5.905 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.043 6.813 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.038 5.117 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.985 5.595 2.697 1.00 0.00 H new ATOM 131 N GLU A 9 -11.182 3.098 4.209 1.00 0.00 N ATOM 132 CA GLU A 9 -11.923 1.897 4.603 1.00 0.00 C ATOM 133 C GLU A 9 -11.168 1.130 5.688 1.00 0.00 C ATOM 134 O GLU A 9 -10.270 1.676 6.338 1.00 0.00 O ATOM 135 CB GLU A 9 -12.187 0.996 3.389 1.00 0.00 C ATOM 136 CG GLU A 9 -13.376 1.434 2.550 1.00 0.00 C ATOM 137 CD GLU A 9 -14.694 1.214 3.263 1.00 0.00 C ATOM 138 OE1 GLU A 9 -15.116 2.100 4.036 1.00 0.00 O ATOM 139 OE2 GLU A 9 -15.315 0.148 3.055 1.00 0.00 O ATOM 0 H GLU A 9 -11.679 3.972 4.380 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.885 2.210 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.297 0.978 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.353 -0.024 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.272 2.490 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.377 0.883 1.610 1.00 0.00 H new ATOM 146 N VAL A 10 -11.555 -0.119 5.911 1.00 0.00 N ATOM 147 CA VAL A 10 -10.877 -0.964 6.882 1.00 0.00 C ATOM 148 C VAL A 10 -9.890 -1.884 6.174 1.00 0.00 C ATOM 149 O VAL A 10 -10.282 -2.837 5.499 1.00 0.00 O ATOM 150 CB VAL A 10 -11.873 -1.807 7.711 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.136 -2.688 8.711 1.00 0.00 C ATOM 152 CG2 VAL A 10 -12.867 -0.902 8.425 1.00 0.00 C ATOM 0 H VAL A 10 -12.335 -0.569 5.432 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.343 -0.308 7.570 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.423 -2.456 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.858 -3.272 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.466 -3.362 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.557 -2.062 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.562 -1.510 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.331 -0.228 9.093 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.422 -0.319 7.690 1.00 0.00 H new ATOM 162 N LEU A 11 -8.610 -1.582 6.318 1.00 0.00 N ATOM 163 CA LEU A 11 -7.565 -2.351 5.662 1.00 0.00 C ATOM 164 C LEU A 11 -7.110 -3.507 6.544 1.00 0.00 C ATOM 165 O LEU A 11 -6.379 -3.313 7.518 1.00 0.00 O ATOM 166 CB LEU A 11 -6.375 -1.449 5.323 1.00 0.00 C ATOM 167 CG LEU A 11 -6.689 -0.279 4.388 1.00 0.00 C ATOM 168 CD1 LEU A 11 -5.464 0.605 4.207 1.00 0.00 C ATOM 169 CD2 LEU A 11 -7.180 -0.785 3.039 1.00 0.00 C ATOM 0 H LEU A 11 -8.269 -0.806 6.886 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.973 -2.761 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.965 -1.051 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.596 -2.059 4.866 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.482 0.316 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.707 1.431 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.154 1.000 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.652 0.018 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.398 0.063 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.410 -1.405 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.085 -1.376 3.180 1.00 0.00 H new ATOM 181 N ALA A 12 -7.544 -4.707 6.197 1.00 0.00 N ATOM 182 CA ALA A 12 -7.195 -5.893 6.957 1.00 0.00 C ATOM 183 C ALA A 12 -6.702 -6.996 6.033 1.00 0.00 C ATOM 184 O ALA A 12 -7.101 -7.073 4.869 1.00 0.00 O ATOM 185 CB ALA A 12 -8.388 -6.370 7.774 1.00 0.00 C ATOM 0 H ALA A 12 -8.141 -4.885 5.390 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.387 -5.638 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.110 -7.260 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.694 -5.584 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.215 -6.608 7.105 1.00 0.00 H new ATOM 191 N CYS A 13 -5.819 -7.833 6.556 1.00 0.00 N ATOM 192 CA CYS A 13 -5.241 -8.929 5.799 1.00 0.00 C ATOM 193 C CYS A 13 -6.312 -9.962 5.461 1.00 0.00 C ATOM 194 O CYS A 13 -7.111 -10.336 6.322 1.00 0.00 O ATOM 195 CB CYS A 13 -4.114 -9.572 6.613 1.00 0.00 C ATOM 196 SG CYS A 13 -3.216 -10.892 5.761 1.00 0.00 S ATOM 0 H CYS A 13 -5.484 -7.770 7.517 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.832 -8.545 4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.404 -8.796 6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.535 -9.975 7.534 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.962 -11.854 6.598 1.00 0.00 H new ATOM 202 N PRO A 14 -6.334 -10.442 4.205 1.00 0.00 N ATOM 203 CA PRO A 14 -7.324 -11.421 3.726 1.00 0.00 C ATOM 204 C PRO A 14 -7.196 -12.801 4.385 1.00 0.00 C ATOM 205 O PRO A 14 -7.814 -13.770 3.935 1.00 0.00 O ATOM 206 CB PRO A 14 -7.034 -11.529 2.221 1.00 0.00 C ATOM 207 CG PRO A 14 -6.204 -10.339 1.893 1.00 0.00 C ATOM 208 CD PRO A 14 -5.416 -10.042 3.131 1.00 0.00 C ATOM 0 HA PRO A 14 -8.336 -11.095 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.505 -12.453 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.958 -11.536 1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.545 -10.542 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.829 -9.491 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.485 -10.608 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.150 -8.987 3.198 1.00 0.00 H new ATOM 216 N LYS A 15 -6.394 -12.894 5.442 1.00 0.00 N ATOM 217 CA LYS A 15 -6.291 -14.131 6.199 1.00 0.00 C ATOM 218 C LYS A 15 -7.235 -14.096 7.391 1.00 0.00 C ATOM 219 O LYS A 15 -8.335 -14.645 7.334 1.00 0.00 O ATOM 220 CB LYS A 15 -4.854 -14.403 6.674 1.00 0.00 C ATOM 221 CG LYS A 15 -3.982 -15.123 5.651 1.00 0.00 C ATOM 222 CD LYS A 15 -3.432 -14.179 4.600 1.00 0.00 C ATOM 223 CE LYS A 15 -2.687 -14.930 3.504 1.00 0.00 C ATOM 224 NZ LYS A 15 -1.617 -15.821 4.038 1.00 0.00 N ATOM 0 H LYS A 15 -5.811 -12.132 5.789 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.575 -14.945 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.383 -13.454 6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.892 -14.999 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.155 -15.615 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.566 -15.905 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.250 -13.609 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.760 -13.461 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.397 -15.526 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.244 -14.212 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.067 -16.215 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.988 -15.274 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.049 -16.597 4.579 1.00 0.00 H new ATOM 238 N ASP A 16 -6.828 -13.417 8.454 1.00 0.00 N ATOM 239 CA ASP A 16 -7.621 -13.392 9.674 1.00 0.00 C ATOM 240 C ASP A 16 -7.593 -12.008 10.321 1.00 0.00 C ATOM 241 O ASP A 16 -7.181 -11.853 11.472 1.00 0.00 O ATOM 242 CB ASP A 16 -7.118 -14.460 10.656 1.00 0.00 C ATOM 243 CG ASP A 16 -7.986 -14.580 11.895 1.00 0.00 C ATOM 244 OD1 ASP A 16 -9.162 -14.968 11.770 1.00 0.00 O ATOM 245 OD2 ASP A 16 -7.487 -14.307 13.009 1.00 0.00 O ATOM 0 H ASP A 16 -5.961 -12.881 8.497 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.655 -13.616 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.082 -15.424 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.098 -14.219 10.955 1.00 0.00 H new ATOM 250 N LYS A 17 -7.981 -10.991 9.547 1.00 0.00 N ATOM 251 CA LYS A 17 -8.260 -9.658 10.091 1.00 0.00 C ATOM 252 C LYS A 17 -7.014 -8.973 10.645 1.00 0.00 C ATOM 253 O LYS A 17 -7.117 -8.100 11.512 1.00 0.00 O ATOM 254 CB LYS A 17 -9.325 -9.758 11.178 1.00 0.00 C ATOM 255 CG LYS A 17 -10.707 -10.077 10.636 1.00 0.00 C ATOM 256 CD LYS A 17 -11.663 -10.471 11.745 1.00 0.00 C ATOM 257 CE LYS A 17 -11.719 -9.429 12.847 1.00 0.00 C ATOM 258 NZ LYS A 17 -12.329 -8.154 12.394 1.00 0.00 N ATOM 0 H LYS A 17 -8.110 -11.065 8.538 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.621 -9.043 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.035 -10.529 11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.365 -8.816 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.100 -9.209 10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.636 -10.888 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.661 -10.613 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.354 -11.428 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.291 -9.823 13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.710 -9.236 13.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.344 -7.477 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.770 -7.761 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.302 -8.330 12.071 1.00 0.00 H new ATOM 272 N GLY A 18 -5.847 -9.355 10.141 1.00 0.00 N ATOM 273 CA GLY A 18 -4.618 -8.702 10.550 1.00 0.00 C ATOM 274 C GLY A 18 -4.537 -7.284 10.013 1.00 0.00 C ATOM 275 O GLY A 18 -4.559 -7.089 8.800 1.00 0.00 O ATOM 0 H GLY A 18 -5.730 -10.103 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.559 -8.684 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.763 -9.277 10.194 1.00 0.00 H new ATOM 279 N PRO A 19 -4.459 -6.275 10.894 1.00 0.00 N ATOM 280 CA PRO A 19 -4.451 -4.863 10.491 1.00 0.00 C ATOM 281 C PRO A 19 -3.292 -4.516 9.558 1.00 0.00 C ATOM 282 O PRO A 19 -2.124 -4.760 9.878 1.00 0.00 O ATOM 283 CB PRO A 19 -4.312 -4.106 11.816 1.00 0.00 C ATOM 284 CG PRO A 19 -4.767 -5.066 12.858 1.00 0.00 C ATOM 285 CD PRO A 19 -4.381 -6.425 12.356 1.00 0.00 C ATOM 0 HA PRO A 19 -5.349 -4.607 9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.281 -3.797 11.988 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.921 -3.202 11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.295 -4.855 13.818 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.844 -4.997 13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.378 -6.705 12.680 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.060 -7.197 12.719 1.00 0.00 H new ATOM 293 N LEU A 20 -3.626 -3.954 8.405 1.00 0.00 N ATOM 294 CA LEU A 20 -2.619 -3.534 7.441 1.00 0.00 C ATOM 295 C LEU A 20 -2.252 -2.076 7.672 1.00 0.00 C ATOM 296 O LEU A 20 -3.124 -1.242 7.923 1.00 0.00 O ATOM 297 CB LEU A 20 -3.133 -3.717 6.011 1.00 0.00 C ATOM 298 CG LEU A 20 -3.497 -5.152 5.620 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.014 -5.198 4.189 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.293 -6.069 5.779 1.00 0.00 C ATOM 0 H LEU A 20 -4.588 -3.778 8.114 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.733 -4.154 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.013 -3.088 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.372 -3.353 5.321 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.287 -5.501 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.268 -6.225 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.901 -4.571 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.243 -4.831 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.570 -7.085 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.484 -5.722 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.962 -6.058 6.818 1.00 0.00 H new ATOM 312 N ARG A 21 -0.967 -1.771 7.595 1.00 0.00 N ATOM 313 CA ARG A 21 -0.503 -0.411 7.799 1.00 0.00 C ATOM 314 C ARG A 21 -0.088 0.201 6.468 1.00 0.00 C ATOM 315 O ARG A 21 0.687 -0.392 5.720 1.00 0.00 O ATOM 316 CB ARG A 21 0.664 -0.393 8.791 1.00 0.00 C ATOM 317 CG ARG A 21 1.044 0.999 9.263 1.00 0.00 C ATOM 318 CD ARG A 21 2.111 0.955 10.345 1.00 0.00 C ATOM 319 NE ARG A 21 2.366 2.281 10.898 1.00 0.00 N ATOM 320 CZ ARG A 21 3.224 2.531 11.888 1.00 0.00 C ATOM 321 NH1 ARG A 21 3.922 1.547 12.446 1.00 0.00 N ATOM 322 NH2 ARG A 21 3.373 3.773 12.327 1.00 0.00 N ATOM 0 H ARG A 21 -0.229 -2.446 7.393 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.315 0.184 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.402 -1.002 9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.532 -0.858 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.407 1.583 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.159 1.508 9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.795 0.282 11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.034 0.548 9.931 1.00 0.00 H new ATOM 0 HE ARG A 21 1.854 3.069 10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.804 0.588 12.118 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.575 1.750 13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.833 4.530 11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.027 3.971 13.084 1.00 0.00 H new ATOM 336 N TYR A 22 -0.622 1.377 6.176 1.00 0.00 N ATOM 337 CA TYR A 22 -0.317 2.069 4.934 1.00 0.00 C ATOM 338 C TYR A 22 0.944 2.910 5.080 1.00 0.00 C ATOM 339 O TYR A 22 1.019 3.802 5.926 1.00 0.00 O ATOM 340 CB TYR A 22 -1.499 2.954 4.508 1.00 0.00 C ATOM 341 CG TYR A 22 -1.161 3.950 3.415 1.00 0.00 C ATOM 342 CD1 TYR A 22 -0.982 3.548 2.096 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.014 5.299 3.712 1.00 0.00 C ATOM 344 CE1 TYR A 22 -0.663 4.462 1.106 1.00 0.00 C ATOM 345 CE2 TYR A 22 -0.693 6.216 2.732 1.00 0.00 C ATOM 346 CZ TYR A 22 -0.519 5.796 1.431 1.00 0.00 C ATOM 347 OH TYR A 22 -0.194 6.716 0.455 1.00 0.00 O ATOM 0 H TYR A 22 -1.272 1.874 6.786 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.144 1.320 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.313 2.315 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.866 3.497 5.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.094 2.505 1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.153 5.636 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.528 4.133 0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.578 7.260 2.984 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.133 7.609 0.854 1.00 0.00 H new ATOM 357 N LEU A 23 1.938 2.606 4.264 1.00 0.00 N ATOM 358 CA LEU A 23 3.152 3.396 4.226 1.00 0.00 C ATOM 359 C LEU A 23 3.023 4.488 3.174 1.00 0.00 C ATOM 360 O LEU A 23 2.934 4.210 1.976 1.00 0.00 O ATOM 361 CB LEU A 23 4.381 2.522 3.946 1.00 0.00 C ATOM 362 CG LEU A 23 4.904 1.714 5.143 1.00 0.00 C ATOM 363 CD1 LEU A 23 3.929 0.617 5.545 1.00 0.00 C ATOM 364 CD2 LEU A 23 6.271 1.126 4.832 1.00 0.00 C ATOM 0 H LEU A 23 1.926 1.816 3.619 1.00 0.00 H new ATOM 0 HA LEU A 23 3.292 3.855 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.137 1.829 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.185 3.162 3.583 1.00 0.00 H new ATOM 0 HG LEU A 23 5.000 2.396 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.332 0.066 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.974 1.063 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.782 -0.065 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.626 0.557 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.196 0.468 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.973 1.931 4.615 1.00 0.00 H new ATOM 376 N GLU A 24 3.007 5.733 3.634 1.00 0.00 N ATOM 377 CA GLU A 24 2.800 6.886 2.760 1.00 0.00 C ATOM 378 C GLU A 24 3.989 7.097 1.827 1.00 0.00 C ATOM 379 O GLU A 24 3.919 7.890 0.891 1.00 0.00 O ATOM 380 CB GLU A 24 2.577 8.148 3.594 1.00 0.00 C ATOM 381 CG GLU A 24 1.537 7.983 4.688 1.00 0.00 C ATOM 382 CD GLU A 24 1.242 9.278 5.408 1.00 0.00 C ATOM 383 OE1 GLU A 24 2.142 9.795 6.101 1.00 0.00 O ATOM 384 OE2 GLU A 24 0.110 9.792 5.279 1.00 0.00 O ATOM 0 H GLU A 24 3.136 5.973 4.617 1.00 0.00 H new ATOM 0 HA GLU A 24 1.917 6.687 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.523 8.445 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.271 8.959 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.616 7.595 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.886 7.243 5.408 1.00 0.00 H new ATOM 391 N SER A 25 5.070 6.384 2.095 1.00 0.00 N ATOM 392 CA SER A 25 6.297 6.507 1.329 1.00 0.00 C ATOM 393 C SER A 25 6.186 5.845 -0.045 1.00 0.00 C ATOM 394 O SER A 25 6.380 6.495 -1.073 1.00 0.00 O ATOM 395 CB SER A 25 7.436 5.883 2.133 1.00 0.00 C ATOM 396 OG SER A 25 7.009 4.672 2.742 1.00 0.00 O ATOM 0 H SER A 25 5.121 5.702 2.852 1.00 0.00 H new ATOM 0 HA SER A 25 6.494 7.564 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.286 5.688 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.775 6.582 2.898 1.00 0.00 H new ATOM 0 HG SER A 25 7.750 4.283 3.252 1.00 0.00 H new ATOM 402 N GLU A 26 5.860 4.558 -0.060 1.00 0.00 N ATOM 403 CA GLU A 26 5.848 3.787 -1.300 1.00 0.00 C ATOM 404 C GLU A 26 4.430 3.379 -1.690 1.00 0.00 C ATOM 405 O GLU A 26 4.234 2.619 -2.637 1.00 0.00 O ATOM 406 CB GLU A 26 6.730 2.550 -1.138 1.00 0.00 C ATOM 407 CG GLU A 26 8.152 2.887 -0.727 1.00 0.00 C ATOM 408 CD GLU A 26 8.988 1.661 -0.436 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.828 1.078 0.658 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.822 1.291 -1.284 1.00 0.00 O ATOM 0 H GLU A 26 5.601 4.026 0.771 1.00 0.00 H new ATOM 0 HA GLU A 26 6.241 4.415 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.288 1.890 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.750 1.999 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.627 3.464 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.128 3.522 0.158 1.00 0.00 H new ATOM 417 N GLN A 27 3.449 3.902 -0.953 1.00 0.00 N ATOM 418 CA GLN A 27 2.037 3.596 -1.199 1.00 0.00 C ATOM 419 C GLN A 27 1.791 2.093 -1.115 1.00 0.00 C ATOM 420 O GLN A 27 1.114 1.515 -1.965 1.00 0.00 O ATOM 421 CB GLN A 27 1.577 4.121 -2.568 1.00 0.00 C ATOM 422 CG GLN A 27 1.409 5.636 -2.648 1.00 0.00 C ATOM 423 CD GLN A 27 2.721 6.385 -2.783 1.00 0.00 C ATOM 424 OE1 GLN A 27 3.211 6.604 -3.892 1.00 0.00 O ATOM 425 NE2 GLN A 27 3.277 6.814 -1.664 1.00 0.00 N ATOM 0 H GLN A 27 3.607 4.544 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 27 1.455 4.099 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.299 3.809 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.627 3.650 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.772 5.878 -3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.892 5.984 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.838 6.611 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.145 7.349 -1.698 1.00 0.00 H new ATOM 434 N LEU A 28 2.343 1.469 -0.090 1.00 0.00 N ATOM 435 CA LEU A 28 2.188 0.035 0.105 1.00 0.00 C ATOM 436 C LEU A 28 1.478 -0.258 1.417 1.00 0.00 C ATOM 437 O LEU A 28 1.503 0.557 2.344 1.00 0.00 O ATOM 438 CB LEU A 28 3.553 -0.659 0.088 1.00 0.00 C ATOM 439 CG LEU A 28 4.288 -0.632 -1.255 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.666 -1.266 -1.124 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.475 -1.351 -2.323 1.00 0.00 C ATOM 0 H LEU A 28 2.905 1.933 0.624 1.00 0.00 H new ATOM 0 HA LEU A 28 1.582 -0.352 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.189 -0.191 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.417 -1.698 0.387 1.00 0.00 H new ATOM 0 HG LEU A 28 4.413 0.408 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.173 -1.237 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.252 -0.714 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.561 -2.301 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.013 -1.322 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.320 -2.388 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.510 -0.858 -2.438 1.00 0.00 H new ATOM 453 N LEU A 29 0.849 -1.420 1.488 1.00 0.00 N ATOM 454 CA LEU A 29 0.158 -1.846 2.692 1.00 0.00 C ATOM 455 C LEU A 29 0.916 -3.000 3.321 1.00 0.00 C ATOM 456 O LEU A 29 0.935 -4.102 2.780 1.00 0.00 O ATOM 457 CB LEU A 29 -1.271 -2.288 2.365 1.00 0.00 C ATOM 458 CG LEU A 29 -2.135 -1.245 1.655 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.505 -1.818 1.346 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.263 0.012 2.499 1.00 0.00 C ATOM 0 H LEU A 29 0.803 -2.089 0.719 1.00 0.00 H new ATOM 0 HA LEU A 29 0.111 -1.008 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.223 -3.181 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.766 -2.574 3.293 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.649 -0.978 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.109 -1.064 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.398 -2.690 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.994 -2.112 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.882 0.741 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.726 -0.237 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.274 0.435 2.674 1.00 0.00 H new ATOM 472 N VAL A 30 1.535 -2.756 4.458 1.00 0.00 N ATOM 473 CA VAL A 30 2.365 -3.767 5.089 1.00 0.00 C ATOM 474 C VAL A 30 1.719 -4.271 6.370 1.00 0.00 C ATOM 475 O VAL A 30 1.355 -3.487 7.249 1.00 0.00 O ATOM 476 CB VAL A 30 3.787 -3.233 5.392 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.644 -4.306 6.048 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.451 -2.732 4.114 1.00 0.00 C ATOM 0 H VAL A 30 1.481 -1.872 4.964 1.00 0.00 H new ATOM 0 HA VAL A 30 2.456 -4.594 4.385 1.00 0.00 H new ATOM 0 HB VAL A 30 3.694 -2.400 6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.637 -3.905 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.182 -4.619 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.728 -5.163 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.449 -2.360 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.525 -3.550 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.854 -1.927 3.685 1.00 0.00 H new ATOM 488 N ASN A 31 1.551 -5.583 6.455 1.00 0.00 N ATOM 489 CA ASN A 31 1.040 -6.212 7.661 1.00 0.00 C ATOM 490 C ASN A 31 2.154 -6.262 8.693 1.00 0.00 C ATOM 491 O ASN A 31 3.158 -6.946 8.495 1.00 0.00 O ATOM 492 CB ASN A 31 0.525 -7.625 7.347 1.00 0.00 C ATOM 493 CG ASN A 31 -0.157 -8.303 8.526 1.00 0.00 C ATOM 494 OD1 ASN A 31 0.186 -8.080 9.684 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.132 -9.148 8.233 1.00 0.00 N ATOM 0 H ASN A 31 1.763 -6.234 5.699 1.00 0.00 H new ATOM 0 HA ASN A 31 0.205 -5.633 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.177 -7.570 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.361 -8.242 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.624 -9.638 8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.391 -9.310 7.260 1.00 0.00 H new ATOM 502 N GLU A 32 1.965 -5.556 9.797 1.00 0.00 N ATOM 503 CA GLU A 32 3.017 -5.382 10.790 1.00 0.00 C ATOM 504 C GLU A 32 3.144 -6.619 11.689 1.00 0.00 C ATOM 505 O GLU A 32 3.988 -6.674 12.585 1.00 0.00 O ATOM 506 CB GLU A 32 2.729 -4.120 11.612 1.00 0.00 C ATOM 507 CG GLU A 32 3.941 -3.557 12.337 1.00 0.00 C ATOM 508 CD GLU A 32 3.691 -2.166 12.884 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.082 -2.049 13.968 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.102 -1.180 12.233 1.00 0.00 O ATOM 0 H GLU A 32 1.088 -5.091 10.030 1.00 0.00 H new ATOM 0 HA GLU A 32 3.973 -5.263 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.327 -3.353 10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.954 -4.346 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.213 -4.223 13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.789 -3.529 11.653 1.00 0.00 H new ATOM 517 N ARG A 33 2.301 -7.615 11.438 1.00 0.00 N ATOM 518 CA ARG A 33 2.372 -8.880 12.159 1.00 0.00 C ATOM 519 C ARG A 33 3.024 -9.954 11.294 1.00 0.00 C ATOM 520 O ARG A 33 4.055 -10.523 11.657 1.00 0.00 O ATOM 521 CB ARG A 33 0.977 -9.354 12.562 1.00 0.00 C ATOM 522 CG ARG A 33 0.223 -8.415 13.488 1.00 0.00 C ATOM 523 CD ARG A 33 -1.161 -8.971 13.774 1.00 0.00 C ATOM 524 NE ARG A 33 -1.957 -8.124 14.655 1.00 0.00 N ATOM 525 CZ ARG A 33 -3.125 -8.499 15.175 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.628 -9.697 14.897 1.00 0.00 N ATOM 527 NH2 ARG A 33 -3.800 -7.673 15.964 1.00 0.00 N ATOM 0 H ARG A 33 1.559 -7.570 10.739 1.00 0.00 H new ATOM 0 HA ARG A 33 2.972 -8.715 13.054 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.385 -9.502 11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.066 -10.326 13.048 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.774 -8.290 14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.141 -7.429 13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.693 -9.103 12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.061 -9.958 14.225 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.601 -7.196 14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.120 -10.334 14.283 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.522 -9.980 15.297 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.425 -6.748 16.174 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.694 -7.963 16.361 1.00 0.00 H new ATOM 541 N LEU A 34 2.420 -10.216 10.136 1.00 0.00 N ATOM 542 CA LEU A 34 2.851 -11.310 9.265 1.00 0.00 C ATOM 543 C LEU A 34 4.023 -10.893 8.381 1.00 0.00 C ATOM 544 O LEU A 34 4.599 -11.721 7.675 1.00 0.00 O ATOM 545 CB LEU A 34 1.682 -11.779 8.393 1.00 0.00 C ATOM 546 CG LEU A 34 0.451 -12.273 9.162 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.656 -12.677 8.200 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.814 -13.437 10.070 1.00 0.00 C ATOM 0 H LEU A 34 1.627 -9.683 9.778 1.00 0.00 H new ATOM 0 HA LEU A 34 3.184 -12.131 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.380 -10.956 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.032 -12.582 7.745 1.00 0.00 H new ATOM 0 HG LEU A 34 0.088 -11.453 9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.521 -13.025 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.941 -11.818 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.300 -13.478 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.074 -13.771 10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.206 -14.258 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.571 -13.117 10.786 1.00 0.00 H new ATOM 560 N ASN A 35 4.357 -9.605 8.425 1.00 0.00 N ATOM 561 CA ASN A 35 5.475 -9.046 7.659 1.00 0.00 C ATOM 562 C ASN A 35 5.272 -9.261 6.154 1.00 0.00 C ATOM 563 O ASN A 35 6.194 -9.633 5.423 1.00 0.00 O ATOM 564 CB ASN A 35 6.807 -9.657 8.117 1.00 0.00 C ATOM 565 CG ASN A 35 7.999 -8.858 7.624 1.00 0.00 C ATOM 566 OD1 ASN A 35 7.916 -7.640 7.474 1.00 0.00 O ATOM 567 ND2 ASN A 35 9.111 -9.530 7.368 1.00 0.00 N ATOM 0 H ASN A 35 3.862 -8.917 8.992 1.00 0.00 H new ATOM 0 HA ASN A 35 5.507 -7.973 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.828 -9.705 9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.881 -10.681 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.939 -9.037 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.139 -10.540 7.505 1.00 0.00 H new ATOM 574 N LEU A 36 4.056 -9.008 5.694 1.00 0.00 N ATOM 575 CA LEU A 36 3.723 -9.140 4.284 1.00 0.00 C ATOM 576 C LEU A 36 3.289 -7.793 3.736 1.00 0.00 C ATOM 577 O LEU A 36 2.670 -7.003 4.448 1.00 0.00 O ATOM 578 CB LEU A 36 2.603 -10.166 4.090 1.00 0.00 C ATOM 579 CG LEU A 36 2.940 -11.595 4.523 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.742 -12.508 4.326 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.135 -12.126 3.746 1.00 0.00 C ATOM 0 H LEU A 36 3.278 -8.708 6.282 1.00 0.00 H new ATOM 0 HA LEU A 36 4.605 -9.485 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.727 -9.833 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.324 -10.180 3.036 1.00 0.00 H new ATOM 0 HG LEU A 36 3.196 -11.576 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.000 -13.520 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.906 -12.145 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.459 -12.515 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.357 -13.143 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.905 -12.127 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.001 -11.490 3.930 1.00 0.00 H new ATOM 593 N ALA A 37 3.597 -7.535 2.478 1.00 0.00 N ATOM 594 CA ALA A 37 3.283 -6.253 1.877 1.00 0.00 C ATOM 595 C ALA A 37 2.378 -6.415 0.666 1.00 0.00 C ATOM 596 O ALA A 37 2.653 -7.214 -0.233 1.00 0.00 O ATOM 597 CB ALA A 37 4.561 -5.532 1.477 1.00 0.00 C ATOM 0 H ALA A 37 4.063 -8.194 1.855 1.00 0.00 H new ATOM 0 HA ALA A 37 2.751 -5.658 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.311 -4.571 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.179 -5.369 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.110 -6.138 0.757 1.00 0.00 H new ATOM 603 N TYR A 38 1.295 -5.658 0.666 1.00 0.00 N ATOM 604 CA TYR A 38 0.351 -5.637 -0.439 1.00 0.00 C ATOM 605 C TYR A 38 0.546 -4.357 -1.242 1.00 0.00 C ATOM 606 O TYR A 38 0.973 -3.335 -0.701 1.00 0.00 O ATOM 607 CB TYR A 38 -1.090 -5.720 0.083 1.00 0.00 C ATOM 608 CG TYR A 38 -1.400 -6.991 0.846 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.062 -7.124 2.187 1.00 0.00 C ATOM 610 CD2 TYR A 38 -2.032 -8.060 0.221 1.00 0.00 C ATOM 611 CE1 TYR A 38 -1.336 -8.286 2.882 1.00 0.00 C ATOM 612 CE2 TYR A 38 -2.313 -9.224 0.912 1.00 0.00 C ATOM 613 CZ TYR A 38 -1.963 -9.332 2.240 1.00 0.00 C ATOM 614 OH TYR A 38 -2.233 -10.497 2.928 1.00 0.00 O ATOM 0 H TYR A 38 1.044 -5.038 1.436 1.00 0.00 H new ATOM 0 HA TYR A 38 0.531 -6.500 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.280 -4.865 0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.776 -5.639 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.576 -6.304 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.308 -7.980 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.060 -8.374 3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.805 -10.046 0.413 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.346 -10.296 3.880 1.00 0.00 H new ATOM 624 N ARG A 39 0.237 -4.411 -2.528 1.00 0.00 N ATOM 625 CA ARG A 39 0.483 -3.282 -3.415 1.00 0.00 C ATOM 626 C ARG A 39 -0.794 -2.484 -3.653 1.00 0.00 C ATOM 627 O ARG A 39 -1.891 -2.950 -3.353 1.00 0.00 O ATOM 628 CB ARG A 39 1.042 -3.770 -4.753 1.00 0.00 C ATOM 629 CG ARG A 39 2.277 -4.645 -4.620 1.00 0.00 C ATOM 630 CD ARG A 39 2.780 -5.099 -5.979 1.00 0.00 C ATOM 631 NE ARG A 39 3.245 -3.976 -6.793 1.00 0.00 N ATOM 632 CZ ARG A 39 3.449 -4.041 -8.106 1.00 0.00 C ATOM 633 NH1 ARG A 39 3.137 -5.140 -8.785 1.00 0.00 N ATOM 634 NH2 ARG A 39 3.933 -2.989 -8.749 1.00 0.00 N ATOM 0 H ARG A 39 -0.184 -5.222 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 39 1.214 -2.632 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.267 -4.329 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.285 -2.906 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.063 -4.093 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.044 -5.515 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.594 -5.812 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.982 -5.622 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 39 3.424 -3.088 -6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.737 -5.943 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.297 -5.180 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.148 -2.133 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.091 -3.035 -9.756 1.00 0.00 H new ATOM 648 N ILE A 40 -0.647 -1.280 -4.177 1.00 0.00 N ATOM 649 CA ILE A 40 -1.791 -0.464 -4.546 1.00 0.00 C ATOM 650 C ILE A 40 -1.723 -0.119 -6.027 1.00 0.00 C ATOM 651 O ILE A 40 -0.718 0.406 -6.505 1.00 0.00 O ATOM 652 CB ILE A 40 -1.863 0.829 -3.705 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.063 0.489 -2.222 1.00 0.00 C ATOM 654 CG2 ILE A 40 -2.981 1.737 -4.201 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.118 1.706 -1.315 1.00 0.00 C ATOM 0 H ILE A 40 0.257 -0.844 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.694 -1.041 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.919 1.363 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.988 -0.077 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.250 -0.160 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.012 2.641 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.797 2.005 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.935 1.215 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.261 1.385 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.184 2.262 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.948 2.346 -1.614 1.00 0.00 H new ATOM 667 N ASP A 41 -2.791 -0.421 -6.747 1.00 0.00 N ATOM 668 CA ASP A 41 -2.837 -0.191 -8.181 1.00 0.00 C ATOM 669 C ASP A 41 -3.779 0.951 -8.510 1.00 0.00 C ATOM 670 O ASP A 41 -5.002 0.798 -8.452 1.00 0.00 O ATOM 671 CB ASP A 41 -3.269 -1.459 -8.929 1.00 0.00 C ATOM 672 CG ASP A 41 -3.526 -1.205 -10.405 1.00 0.00 C ATOM 673 OD1 ASP A 41 -2.664 -0.590 -11.069 1.00 0.00 O ATOM 674 OD2 ASP A 41 -4.590 -1.626 -10.910 1.00 0.00 O ATOM 0 H ASP A 41 -3.642 -0.828 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.832 0.076 -8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.496 -2.220 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.173 -1.858 -8.469 1.00 0.00 H new ATOM 679 N ASP A 42 -3.192 2.103 -8.817 1.00 0.00 N ATOM 680 CA ASP A 42 -3.937 3.289 -9.236 1.00 0.00 C ATOM 681 C ASP A 42 -5.064 3.617 -8.256 1.00 0.00 C ATOM 682 O ASP A 42 -6.242 3.632 -8.611 1.00 0.00 O ATOM 683 CB ASP A 42 -4.476 3.101 -10.661 1.00 0.00 C ATOM 684 CG ASP A 42 -5.127 4.352 -11.218 1.00 0.00 C ATOM 685 OD1 ASP A 42 -4.448 5.397 -11.300 1.00 0.00 O ATOM 686 OD2 ASP A 42 -6.321 4.292 -11.588 1.00 0.00 O ATOM 0 H ASP A 42 -2.182 2.243 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.254 4.138 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.658 2.801 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.202 2.288 -10.665 1.00 0.00 H new ATOM 691 N GLY A 43 -4.693 3.839 -7.005 1.00 0.00 N ATOM 692 CA GLY A 43 -5.663 4.238 -6.001 1.00 0.00 C ATOM 693 C GLY A 43 -6.438 3.074 -5.408 1.00 0.00 C ATOM 694 O GLY A 43 -7.144 3.240 -4.411 1.00 0.00 O ATOM 0 H GLY A 43 -3.736 3.750 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.147 4.766 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.366 4.942 -6.446 1.00 0.00 H new ATOM 698 N ILE A 44 -6.316 1.898 -6.009 1.00 0.00 N ATOM 699 CA ILE A 44 -7.029 0.723 -5.531 1.00 0.00 C ATOM 700 C ILE A 44 -6.057 -0.274 -4.912 1.00 0.00 C ATOM 701 O ILE A 44 -5.183 -0.802 -5.595 1.00 0.00 O ATOM 702 CB ILE A 44 -7.811 0.033 -6.673 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.817 1.009 -7.294 1.00 0.00 C ATOM 704 CG2 ILE A 44 -8.519 -1.214 -6.159 1.00 0.00 C ATOM 705 CD1 ILE A 44 -9.574 0.433 -8.474 1.00 0.00 C ATOM 0 H ILE A 44 -5.730 1.733 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.740 1.058 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.103 -0.271 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.531 1.316 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.288 1.906 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.064 -1.686 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.783 -1.913 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.218 -0.936 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.267 1.180 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.869 0.152 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.131 -0.448 -8.154 1.00 0.00 H new ATOM 717 N PRO A 45 -6.182 -0.521 -3.604 1.00 0.00 N ATOM 718 CA PRO A 45 -5.342 -1.492 -2.904 1.00 0.00 C ATOM 719 C PRO A 45 -5.547 -2.908 -3.430 1.00 0.00 C ATOM 720 O PRO A 45 -6.678 -3.388 -3.525 1.00 0.00 O ATOM 721 CB PRO A 45 -5.798 -1.391 -1.444 1.00 0.00 C ATOM 722 CG PRO A 45 -7.156 -0.785 -1.503 1.00 0.00 C ATOM 723 CD PRO A 45 -7.152 0.121 -2.703 1.00 0.00 C ATOM 0 HA PRO A 45 -4.281 -1.282 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.825 -2.372 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.116 -0.774 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.923 -1.554 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.374 -0.226 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.140 0.191 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.849 1.135 -2.441 1.00 0.00 H new ATOM 731 N VAL A 46 -4.449 -3.565 -3.776 1.00 0.00 N ATOM 732 CA VAL A 46 -4.491 -4.926 -4.286 1.00 0.00 C ATOM 733 C VAL A 46 -4.374 -5.914 -3.135 1.00 0.00 C ATOM 734 O VAL A 46 -3.278 -6.180 -2.640 1.00 0.00 O ATOM 735 CB VAL A 46 -3.361 -5.187 -5.306 1.00 0.00 C ATOM 736 CG1 VAL A 46 -3.446 -6.601 -5.867 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.412 -4.162 -6.428 1.00 0.00 C ATOM 0 H VAL A 46 -3.510 -3.172 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.445 -5.060 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.407 -5.088 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.639 -6.758 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.355 -7.321 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.405 -6.737 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.609 -4.360 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.373 -4.229 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.291 -3.162 -6.013 1.00 0.00 H new ATOM 747 N LEU A 47 -5.507 -6.442 -2.707 1.00 0.00 N ATOM 748 CA LEU A 47 -5.553 -7.343 -1.565 1.00 0.00 C ATOM 749 C LEU A 47 -5.544 -8.792 -2.028 1.00 0.00 C ATOM 750 O LEU A 47 -6.231 -9.646 -1.467 1.00 0.00 O ATOM 751 CB LEU A 47 -6.794 -7.059 -0.715 1.00 0.00 C ATOM 752 CG LEU A 47 -6.870 -5.647 -0.126 1.00 0.00 C ATOM 753 CD1 LEU A 47 -8.140 -5.478 0.691 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.641 -5.352 0.727 1.00 0.00 C ATOM 0 H LEU A 47 -6.415 -6.262 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.667 -7.173 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.680 -7.229 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.828 -7.779 0.103 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.893 -4.934 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.177 -4.469 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.008 -5.642 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.147 -6.202 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.715 -4.344 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.584 -6.072 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.744 -5.429 0.112 1.00 0.00 H new ATOM 766 N LEU A 48 -4.754 -9.060 -3.053 1.00 0.00 N ATOM 767 CA LEU A 48 -4.596 -10.410 -3.563 1.00 0.00 C ATOM 768 C LEU A 48 -3.555 -11.152 -2.737 1.00 0.00 C ATOM 769 O LEU A 48 -2.416 -10.699 -2.604 1.00 0.00 O ATOM 770 CB LEU A 48 -4.196 -10.389 -5.043 1.00 0.00 C ATOM 771 CG LEU A 48 -5.351 -10.247 -6.046 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.304 -11.428 -5.935 1.00 0.00 C ATOM 773 CD2 LEU A 48 -6.106 -8.943 -5.840 1.00 0.00 C ATOM 0 H LEU A 48 -4.209 -8.356 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.550 -10.931 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.500 -9.565 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.656 -11.309 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.920 -10.234 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.115 -11.310 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.765 -12.352 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.715 -11.470 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.917 -8.873 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.518 -8.917 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.425 -8.103 -5.975 1.00 0.00 H new ATOM 785 N ILE A 49 -3.968 -12.284 -2.181 1.00 0.00 N ATOM 786 CA ILE A 49 -3.142 -13.061 -1.262 1.00 0.00 C ATOM 787 C ILE A 49 -1.783 -13.425 -1.861 1.00 0.00 C ATOM 788 O ILE A 49 -0.750 -13.270 -1.204 1.00 0.00 O ATOM 789 CB ILE A 49 -3.878 -14.348 -0.819 1.00 0.00 C ATOM 790 CG1 ILE A 49 -5.123 -13.986 0.000 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.955 -15.263 -0.016 1.00 0.00 C ATOM 792 CD1 ILE A 49 -5.946 -15.182 0.436 1.00 0.00 C ATOM 0 H ILE A 49 -4.887 -12.691 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.962 -12.427 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.188 -14.890 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.814 -13.429 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.753 -13.321 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.500 -16.159 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.099 -15.545 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.606 -14.738 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.808 -14.841 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.288 -15.728 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.335 -15.838 1.055 1.00 0.00 H new ATOM 804 N ASP A 50 -1.776 -13.883 -3.106 1.00 0.00 N ATOM 805 CA ASP A 50 -0.550 -14.387 -3.721 1.00 0.00 C ATOM 806 C ASP A 50 0.368 -13.248 -4.166 1.00 0.00 C ATOM 807 O ASP A 50 1.585 -13.424 -4.266 1.00 0.00 O ATOM 808 CB ASP A 50 -0.882 -15.290 -4.909 1.00 0.00 C ATOM 809 CG ASP A 50 0.359 -15.887 -5.542 1.00 0.00 C ATOM 810 OD1 ASP A 50 0.929 -16.834 -4.959 1.00 0.00 O ATOM 811 OD2 ASP A 50 0.757 -15.419 -6.631 1.00 0.00 O ATOM 0 H ASP A 50 -2.598 -13.917 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.019 -14.968 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.541 -16.093 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.429 -14.716 -5.657 1.00 0.00 H new ATOM 816 N GLU A 51 -0.211 -12.081 -4.419 1.00 0.00 N ATOM 817 CA GLU A 51 0.566 -10.915 -4.845 1.00 0.00 C ATOM 818 C GLU A 51 1.388 -10.353 -3.689 1.00 0.00 C ATOM 819 O GLU A 51 2.391 -9.669 -3.900 1.00 0.00 O ATOM 820 CB GLU A 51 -0.353 -9.830 -5.415 1.00 0.00 C ATOM 821 CG GLU A 51 -1.003 -10.211 -6.736 1.00 0.00 C ATOM 822 CD GLU A 51 0.011 -10.461 -7.836 1.00 0.00 C ATOM 823 OE1 GLU A 51 0.495 -9.480 -8.440 1.00 0.00 O ATOM 824 OE2 GLU A 51 0.327 -11.639 -8.105 1.00 0.00 O ATOM 0 H GLU A 51 -1.214 -11.913 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 51 1.251 -11.240 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.133 -9.608 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.223 -8.915 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.607 -11.107 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.681 -9.415 -7.046 1.00 0.00 H new ATOM 831 N ALA A 52 0.963 -10.652 -2.468 1.00 0.00 N ATOM 832 CA ALA A 52 1.661 -10.184 -1.281 1.00 0.00 C ATOM 833 C ALA A 52 3.018 -10.860 -1.152 1.00 0.00 C ATOM 834 O ALA A 52 3.139 -12.077 -1.296 1.00 0.00 O ATOM 835 CB ALA A 52 0.824 -10.437 -0.041 1.00 0.00 C ATOM 0 H ALA A 52 0.136 -11.218 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 52 1.822 -9.110 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.360 -10.081 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.124 -9.906 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.634 -11.506 0.058 1.00 0.00 H new ATOM 841 N THR A 53 4.038 -10.063 -0.898 1.00 0.00 N ATOM 842 CA THR A 53 5.388 -10.576 -0.752 1.00 0.00 C ATOM 843 C THR A 53 5.913 -10.276 0.651 1.00 0.00 C ATOM 844 O THR A 53 5.452 -9.330 1.296 1.00 0.00 O ATOM 845 CB THR A 53 6.322 -9.934 -1.796 1.00 0.00 C ATOM 846 OG1 THR A 53 5.630 -9.800 -3.046 1.00 0.00 O ATOM 847 CG2 THR A 53 7.580 -10.764 -2.002 1.00 0.00 C ATOM 0 H THR A 53 3.957 -9.052 -0.788 1.00 0.00 H new ATOM 0 HA THR A 53 5.366 -11.654 -0.909 1.00 0.00 H new ATOM 0 HB THR A 53 6.617 -8.953 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.226 -9.390 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.216 -10.282 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.121 -10.845 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.306 -11.760 -2.350 1.00 0.00 H new ATOM 855 N GLU A 54 6.849 -11.088 1.133 1.00 0.00 N ATOM 856 CA GLU A 54 7.495 -10.829 2.415 1.00 0.00 C ATOM 857 C GLU A 54 8.316 -9.548 2.307 1.00 0.00 C ATOM 858 O GLU A 54 9.049 -9.365 1.334 1.00 0.00 O ATOM 859 CB GLU A 54 8.409 -11.991 2.829 1.00 0.00 C ATOM 860 CG GLU A 54 7.720 -13.350 2.906 1.00 0.00 C ATOM 861 CD GLU A 54 7.425 -13.944 1.540 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.142 -13.606 0.574 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.478 -14.748 1.425 1.00 0.00 O ATOM 0 H GLU A 54 7.176 -11.928 0.657 1.00 0.00 H new ATOM 0 HA GLU A 54 6.722 -10.723 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.234 -12.057 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.844 -11.764 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.350 -14.040 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.787 -13.247 3.461 1.00 0.00 H new ATOM 870 N TRP A 55 8.199 -8.668 3.287 1.00 0.00 N ATOM 871 CA TRP A 55 8.841 -7.367 3.199 1.00 0.00 C ATOM 872 C TRP A 55 10.088 -7.305 4.072 1.00 0.00 C ATOM 873 O TRP A 55 10.042 -7.634 5.257 1.00 0.00 O ATOM 874 CB TRP A 55 7.851 -6.271 3.596 1.00 0.00 C ATOM 875 CG TRP A 55 8.247 -4.908 3.118 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.528 -3.817 3.888 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.408 -4.492 1.756 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.841 -2.744 3.088 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.782 -3.136 1.776 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.275 -5.136 0.523 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.019 -2.413 0.609 1.00 0.00 C ATOM 882 CZ3 TRP A 55 8.512 -4.418 -0.633 1.00 0.00 C ATOM 883 CH2 TRP A 55 8.884 -3.069 -0.582 1.00 0.00 C ATOM 0 H TRP A 55 7.671 -8.828 4.145 1.00 0.00 H new ATOM 0 HA TRP A 55 9.154 -7.208 2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.868 -6.517 3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.756 -6.254 4.682 1.00 0.00 H new ATOM 0 HD1 TRP A 55 8.507 -3.799 4.968 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.079 -1.808 3.417 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.992 -6.177 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.300 -1.371 0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.409 -4.905 -1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.068 -2.536 -1.503 1.00 0.00 H new ATOM 894 N THR A 56 11.197 -6.889 3.462 1.00 0.00 N ATOM 895 CA THR A 56 12.468 -6.716 4.156 1.00 0.00 C ATOM 896 C THR A 56 13.032 -8.041 4.685 1.00 0.00 C ATOM 897 O THR A 56 12.656 -8.510 5.761 1.00 0.00 O ATOM 898 CB THR A 56 12.330 -5.713 5.313 1.00 0.00 C ATOM 899 OG1 THR A 56 11.782 -4.478 4.826 1.00 0.00 O ATOM 900 CG2 THR A 56 13.673 -5.446 5.981 1.00 0.00 C ATOM 0 H THR A 56 11.237 -6.662 2.468 1.00 0.00 H new ATOM 0 HA THR A 56 13.171 -6.325 3.420 1.00 0.00 H new ATOM 0 HB THR A 56 11.660 -6.148 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.824 -4.590 4.655 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.539 -4.733 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.074 -6.379 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.368 -5.035 5.249 1.00 0.00 H new ATOM 908 N PRO A 57 13.932 -8.672 3.914 1.00 0.00 N ATOM 909 CA PRO A 57 14.664 -9.858 4.360 1.00 0.00 C ATOM 910 C PRO A 57 15.700 -9.491 5.419 1.00 0.00 C ATOM 911 O PRO A 57 16.482 -8.555 5.233 1.00 0.00 O ATOM 912 CB PRO A 57 15.353 -10.371 3.087 1.00 0.00 C ATOM 913 CG PRO A 57 14.750 -9.598 1.961 1.00 0.00 C ATOM 914 CD PRO A 57 14.301 -8.294 2.547 1.00 0.00 C ATOM 0 HA PRO A 57 14.012 -10.603 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.431 -10.216 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.191 -11.441 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.477 -9.438 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.911 -10.138 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.095 -7.548 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.457 -7.872 2.001 1.00 0.00 H new ATOM 922 N ASN A 58 15.706 -10.221 6.521 1.00 0.00 N ATOM 923 CA ASN A 58 16.559 -9.880 7.650 1.00 0.00 C ATOM 924 C ASN A 58 17.511 -11.028 7.972 1.00 0.00 C ATOM 925 O ASN A 58 17.073 -12.137 8.288 1.00 0.00 O ATOM 926 CB ASN A 58 15.697 -9.545 8.871 1.00 0.00 C ATOM 927 CG ASN A 58 16.499 -8.970 10.022 1.00 0.00 C ATOM 928 OD1 ASN A 58 17.537 -8.342 9.820 1.00 0.00 O ATOM 929 ND2 ASN A 58 16.014 -9.164 11.237 1.00 0.00 N ATOM 0 H ASN A 58 15.132 -11.052 6.660 1.00 0.00 H new ATOM 0 HA ASN A 58 17.156 -9.007 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.926 -8.831 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.186 -10.447 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.504 -8.787 12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.150 -9.691 11.363 1.00 0.00 H new ATOM 936 N ASN A 59 18.806 -10.765 7.868 1.00 0.00 N ATOM 937 CA ASN A 59 19.820 -11.771 8.161 1.00 0.00 C ATOM 938 C ASN A 59 19.839 -12.095 9.651 1.00 0.00 C ATOM 939 O ASN A 59 20.227 -11.268 10.475 1.00 0.00 O ATOM 940 CB ASN A 59 21.200 -11.282 7.712 1.00 0.00 C ATOM 941 CG ASN A 59 22.304 -12.288 8.000 1.00 0.00 C ATOM 942 OD1 ASN A 59 22.080 -13.501 7.986 1.00 0.00 O ATOM 943 ND2 ASN A 59 23.504 -11.793 8.259 1.00 0.00 N ATOM 0 H ASN A 59 19.181 -9.861 7.582 1.00 0.00 H new ATOM 0 HA ASN A 59 19.571 -12.679 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 59 21.176 -11.072 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 59 21.430 -10.343 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 59 24.283 -12.421 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 59 23.650 -10.783 8.261 1.00 0.00 H new ATOM 950 N LEU A 60 19.410 -13.300 9.994 1.00 0.00 N ATOM 951 CA LEU A 60 19.311 -13.703 11.388 1.00 0.00 C ATOM 952 C LEU A 60 20.527 -14.516 11.812 1.00 0.00 C ATOM 953 O LEU A 60 21.040 -15.335 11.046 1.00 0.00 O ATOM 954 CB LEU A 60 18.043 -14.529 11.611 1.00 0.00 C ATOM 955 CG LEU A 60 16.733 -13.821 11.262 1.00 0.00 C ATOM 956 CD1 LEU A 60 15.553 -14.762 11.453 1.00 0.00 C ATOM 957 CD2 LEU A 60 16.560 -12.574 12.113 1.00 0.00 C ATOM 0 H LEU A 60 19.125 -14.016 9.326 1.00 0.00 H new ATOM 0 HA LEU A 60 19.268 -12.798 11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 60 18.114 -15.441 11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 60 18.006 -14.832 12.657 1.00 0.00 H new ATOM 0 HG LEU A 60 16.771 -13.522 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.629 -14.242 11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.671 -15.630 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.513 -15.089 12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.623 -12.082 11.852 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.542 -12.852 13.167 1.00 0.00 H new ATOM 0 HD23 LEU A 60 17.390 -11.892 11.932 1.00 0.00 H new ATOM 969 N GLU A 61 20.989 -14.282 13.032 1.00 0.00 N ATOM 970 CA GLU A 61 22.069 -15.062 13.605 1.00 0.00 C ATOM 971 C GLU A 61 21.621 -15.659 14.938 1.00 0.00 C ATOM 972 O GLU A 61 21.194 -14.940 15.845 1.00 0.00 O ATOM 973 CB GLU A 61 23.344 -14.213 13.783 1.00 0.00 C ATOM 974 CG GLU A 61 23.249 -13.108 14.834 1.00 0.00 C ATOM 975 CD GLU A 61 22.266 -12.009 14.476 1.00 0.00 C ATOM 976 OE1 GLU A 61 21.060 -12.155 14.778 1.00 0.00 O ATOM 977 OE2 GLU A 61 22.697 -10.983 13.913 1.00 0.00 O ATOM 0 H GLU A 61 20.627 -13.552 13.646 1.00 0.00 H new ATOM 0 HA GLU A 61 22.314 -15.871 12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 61 24.168 -14.875 14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 61 23.596 -13.760 12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.956 -13.549 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 61 24.236 -12.668 14.976 1.00 0.00 H new TER 984 GLU A 61