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 13 CYS SG : rot -162:sc= 2.17 USER MOD Set 1.2: A 38 TYR OH : rot 26:sc= 0.959 USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0.356 USER MOD Set 2.2: A 27 GLN : amide:sc= 0.381 K(o=0.74,f=0.02) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.102 (180deg=-0.69) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.135 (180deg=-0.195) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.665 X(o=-0.66,f=-0.32) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.44 K(o=1.4,f=-8.2!) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.022 K(o=0.022,f=-2.3) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.329 16.766 13.300 1.00 0.00 N ATOM 2 CA MET A 1 -9.978 16.248 13.622 1.00 0.00 C ATOM 3 C MET A 1 -8.987 16.560 12.503 1.00 0.00 C ATOM 4 O MET A 1 -7.845 16.098 12.540 1.00 0.00 O ATOM 5 CB MET A 1 -10.024 14.734 13.846 1.00 0.00 C ATOM 6 CG MET A 1 -10.453 13.944 12.617 1.00 0.00 C ATOM 7 SD MET A 1 -10.390 12.158 12.884 1.00 0.00 S ATOM 8 CE MET A 1 -8.630 11.914 13.104 1.00 0.00 C ATOM 0 H1 MET A 1 -11.989 16.510 14.062 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.291 17.801 13.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.656 16.350 12.405 1.00 0.00 H new ATOM 0 HA MET A 1 -9.646 16.742 14.535 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.038 14.392 14.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.712 14.518 14.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.468 14.231 12.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.808 14.205 11.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.377 10.875 12.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.084 12.567 12.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.356 12.150 14.132 1.00 0.00 H new ATOM 20 N SER A 2 -9.426 17.355 11.523 1.00 0.00 N ATOM 21 CA SER A 2 -8.622 17.656 10.341 1.00 0.00 C ATOM 22 C SER A 2 -8.378 16.395 9.504 1.00 0.00 C ATOM 23 O SER A 2 -9.005 15.357 9.742 1.00 0.00 O ATOM 24 CB SER A 2 -7.293 18.301 10.749 1.00 0.00 C ATOM 25 OG SER A 2 -7.516 19.505 11.463 1.00 0.00 O ATOM 0 H SER A 2 -10.342 17.804 11.528 1.00 0.00 H new ATOM 0 HA SER A 2 -9.176 18.364 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.721 17.608 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.695 18.505 9.861 1.00 0.00 H new ATOM 0 HG SER A 2 -6.655 19.900 11.716 1.00 0.00 H new ATOM 31 N LEU A 3 -7.484 16.499 8.513 1.00 0.00 N ATOM 32 CA LEU A 3 -7.150 15.372 7.636 1.00 0.00 C ATOM 33 C LEU A 3 -8.365 14.940 6.819 1.00 0.00 C ATOM 34 O LEU A 3 -9.419 15.580 6.867 1.00 0.00 O ATOM 35 CB LEU A 3 -6.599 14.177 8.440 1.00 0.00 C ATOM 36 CG LEU A 3 -5.152 14.306 8.945 1.00 0.00 C ATOM 37 CD1 LEU A 3 -4.210 14.623 7.794 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.035 15.361 10.037 1.00 0.00 C ATOM 0 H LEU A 3 -6.977 17.358 8.298 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.371 15.710 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.249 14.014 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.666 13.285 7.817 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.865 13.347 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.191 14.710 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.256 13.823 7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.507 15.563 7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.999 15.426 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.351 16.328 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.671 15.086 10.878 1.00 0.00 H new ATOM 50 N ASP A 4 -8.205 13.870 6.057 1.00 0.00 N ATOM 51 CA ASP A 4 -9.293 13.341 5.241 1.00 0.00 C ATOM 52 C ASP A 4 -9.390 11.824 5.410 1.00 0.00 C ATOM 53 O ASP A 4 -8.780 11.068 4.654 1.00 0.00 O ATOM 54 CB ASP A 4 -9.092 13.693 3.762 1.00 0.00 C ATOM 55 CG ASP A 4 -10.367 13.554 2.950 1.00 0.00 C ATOM 56 OD1 ASP A 4 -10.937 12.444 2.900 1.00 0.00 O ATOM 57 OD2 ASP A 4 -10.824 14.569 2.375 1.00 0.00 O ATOM 0 H ASP A 4 -7.332 13.348 5.985 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.223 13.798 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.725 14.716 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.324 13.045 3.339 1.00 0.00 H new ATOM 62 N PRO A 5 -10.128 11.362 6.433 1.00 0.00 N ATOM 63 CA PRO A 5 -10.289 9.928 6.717 1.00 0.00 C ATOM 64 C PRO A 5 -11.086 9.195 5.634 1.00 0.00 C ATOM 65 O PRO A 5 -11.004 7.969 5.512 1.00 0.00 O ATOM 66 CB PRO A 5 -11.049 9.907 8.048 1.00 0.00 C ATOM 67 CG PRO A 5 -11.749 11.220 8.112 1.00 0.00 C ATOM 68 CD PRO A 5 -10.856 12.200 7.402 1.00 0.00 C ATOM 0 HA PRO A 5 -9.327 9.416 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.758 9.080 8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.368 9.781 8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.727 11.165 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.917 11.523 9.146 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.432 12.981 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.176 12.697 8.093 1.00 0.00 H new ATOM 76 N GLN A 6 -11.844 9.954 4.849 1.00 0.00 N ATOM 77 CA GLN A 6 -12.656 9.398 3.770 1.00 0.00 C ATOM 78 C GLN A 6 -11.757 8.719 2.739 1.00 0.00 C ATOM 79 O GLN A 6 -12.014 7.589 2.323 1.00 0.00 O ATOM 80 CB GLN A 6 -13.476 10.529 3.128 1.00 0.00 C ATOM 81 CG GLN A 6 -14.637 10.097 2.233 1.00 0.00 C ATOM 82 CD GLN A 6 -14.209 9.637 0.854 1.00 0.00 C ATOM 83 OE1 GLN A 6 -14.009 10.448 -0.050 1.00 0.00 O ATOM 84 NE2 GLN A 6 -14.121 8.334 0.666 1.00 0.00 N ATOM 0 H GLN A 6 -11.913 10.967 4.941 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.340 8.647 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.873 11.159 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.801 11.149 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.180 9.289 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.332 10.930 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.294 7.694 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.880 7.967 -0.254 1.00 0.00 H new ATOM 93 N LEU A 7 -10.674 9.397 2.372 1.00 0.00 N ATOM 94 CA LEU A 7 -9.762 8.900 1.343 1.00 0.00 C ATOM 95 C LEU A 7 -8.820 7.820 1.886 1.00 0.00 C ATOM 96 O LEU A 7 -7.898 7.386 1.190 1.00 0.00 O ATOM 97 CB LEU A 7 -8.940 10.060 0.769 1.00 0.00 C ATOM 98 CG LEU A 7 -9.758 11.198 0.154 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.844 12.307 -0.338 1.00 0.00 C ATOM 100 CD2 LEU A 7 -10.628 10.684 -0.982 1.00 0.00 C ATOM 0 H LEU A 7 -10.404 10.295 2.773 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.368 8.450 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.317 10.470 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.267 9.665 0.008 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.410 11.604 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.444 13.107 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.266 12.700 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.166 11.911 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.201 11.510 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.996 10.248 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.312 9.925 -0.602 1.00 0.00 H new ATOM 112 N LEU A 8 -9.058 7.383 3.118 1.00 0.00 N ATOM 113 CA LEU A 8 -8.213 6.376 3.747 1.00 0.00 C ATOM 114 C LEU A 8 -9.025 5.139 4.125 1.00 0.00 C ATOM 115 O LEU A 8 -8.815 4.058 3.573 1.00 0.00 O ATOM 116 CB LEU A 8 -7.541 6.955 4.996 1.00 0.00 C ATOM 117 CG LEU A 8 -6.604 8.141 4.749 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.106 8.710 6.068 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.434 7.721 3.878 1.00 0.00 C ATOM 0 H LEU A 8 -9.829 7.711 3.700 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.448 6.081 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.318 7.267 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.974 6.162 5.484 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.162 8.918 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.442 9.552 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.955 9.048 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.564 7.939 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.778 8.576 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.877 6.927 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.806 7.358 2.920 1.00 0.00 H new ATOM 131 N GLU A 9 -9.961 5.322 5.060 1.00 0.00 N ATOM 132 CA GLU A 9 -10.776 4.227 5.593 1.00 0.00 C ATOM 133 C GLU A 9 -9.911 3.203 6.327 1.00 0.00 C ATOM 134 O GLU A 9 -8.746 3.459 6.636 1.00 0.00 O ATOM 135 CB GLU A 9 -11.581 3.538 4.486 1.00 0.00 C ATOM 136 CG GLU A 9 -12.609 4.439 3.822 1.00 0.00 C ATOM 137 CD GLU A 9 -13.566 3.669 2.940 1.00 0.00 C ATOM 138 OE1 GLU A 9 -14.552 3.115 3.475 1.00 0.00 O ATOM 139 OE2 GLU A 9 -13.351 3.616 1.712 1.00 0.00 O ATOM 0 H GLU A 9 -10.175 6.232 5.468 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.477 4.664 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.893 3.167 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.090 2.670 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.173 4.969 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.096 5.193 3.225 1.00 0.00 H new ATOM 146 N VAL A 10 -10.496 2.050 6.627 1.00 0.00 N ATOM 147 CA VAL A 10 -9.784 0.988 7.322 1.00 0.00 C ATOM 148 C VAL A 10 -9.478 -0.160 6.367 1.00 0.00 C ATOM 149 O VAL A 10 -10.390 -0.817 5.859 1.00 0.00 O ATOM 150 CB VAL A 10 -10.595 0.447 8.521 1.00 0.00 C ATOM 151 CG1 VAL A 10 -9.836 -0.667 9.232 1.00 0.00 C ATOM 152 CG2 VAL A 10 -10.933 1.569 9.491 1.00 0.00 C ATOM 0 H VAL A 10 -11.465 1.827 6.398 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.854 1.415 7.697 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.527 0.032 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.427 -1.031 10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.653 -1.485 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.884 -0.283 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.504 1.167 10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.012 2.018 9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.525 2.327 8.978 1.00 0.00 H new ATOM 162 N LEU A 11 -8.199 -0.386 6.118 1.00 0.00 N ATOM 163 CA LEU A 11 -7.767 -1.459 5.234 1.00 0.00 C ATOM 164 C LEU A 11 -7.141 -2.589 6.045 1.00 0.00 C ATOM 165 O LEU A 11 -6.082 -2.418 6.653 1.00 0.00 O ATOM 166 CB LEU A 11 -6.767 -0.921 4.206 1.00 0.00 C ATOM 167 CG LEU A 11 -7.295 0.216 3.323 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.204 0.732 2.397 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.494 -0.251 2.508 1.00 0.00 C ATOM 0 H LEU A 11 -7.437 0.162 6.517 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.635 -1.852 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.880 -0.570 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.451 -1.743 3.564 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.610 1.030 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.601 1.538 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.370 1.107 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.858 -0.079 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.854 0.570 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.198 -1.085 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.288 -0.573 3.181 1.00 0.00 H new ATOM 181 N ALA A 12 -7.805 -3.736 6.068 1.00 0.00 N ATOM 182 CA ALA A 12 -7.337 -4.868 6.852 1.00 0.00 C ATOM 183 C ALA A 12 -6.942 -6.042 5.959 1.00 0.00 C ATOM 184 O ALA A 12 -7.441 -6.180 4.841 1.00 0.00 O ATOM 185 CB ALA A 12 -8.407 -5.298 7.846 1.00 0.00 C ATOM 0 H ALA A 12 -8.669 -3.906 5.553 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.449 -4.551 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.044 -6.146 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.634 -4.470 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.309 -5.587 7.307 1.00 0.00 H new ATOM 191 N CYS A 13 -6.047 -6.881 6.469 1.00 0.00 N ATOM 192 CA CYS A 13 -5.583 -8.064 5.749 1.00 0.00 C ATOM 193 C CYS A 13 -6.711 -9.086 5.600 1.00 0.00 C ATOM 194 O CYS A 13 -7.453 -9.338 6.543 1.00 0.00 O ATOM 195 CB CYS A 13 -4.399 -8.697 6.491 1.00 0.00 C ATOM 196 SG CYS A 13 -3.824 -10.266 5.792 1.00 0.00 S ATOM 0 H CYS A 13 -5.623 -6.762 7.389 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.262 -7.757 4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.569 -7.990 6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.684 -8.860 7.531 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.105 -10.896 6.673 1.00 0.00 H new ATOM 202 N PRO A 14 -6.849 -9.687 4.408 1.00 0.00 N ATOM 203 CA PRO A 14 -7.888 -10.692 4.136 1.00 0.00 C ATOM 204 C PRO A 14 -7.761 -11.942 5.013 1.00 0.00 C ATOM 205 O PRO A 14 -8.750 -12.628 5.273 1.00 0.00 O ATOM 206 CB PRO A 14 -7.664 -11.059 2.665 1.00 0.00 C ATOM 207 CG PRO A 14 -6.881 -9.927 2.096 1.00 0.00 C ATOM 208 CD PRO A 14 -6.029 -9.412 3.219 1.00 0.00 C ATOM 0 HA PRO A 14 -8.881 -10.297 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.121 -12.000 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.612 -11.185 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.266 -10.259 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.541 -9.147 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.068 -9.924 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.819 -8.348 3.111 1.00 0.00 H new ATOM 216 N LYS A 15 -6.544 -12.239 5.464 1.00 0.00 N ATOM 217 CA LYS A 15 -6.307 -13.422 6.287 1.00 0.00 C ATOM 218 C LYS A 15 -6.220 -13.066 7.767 1.00 0.00 C ATOM 219 O LYS A 15 -6.955 -13.610 8.587 1.00 0.00 O ATOM 220 CB LYS A 15 -5.024 -14.142 5.866 1.00 0.00 C ATOM 221 CG LYS A 15 -5.121 -14.825 4.515 1.00 0.00 C ATOM 222 CD LYS A 15 -3.964 -15.788 4.287 1.00 0.00 C ATOM 223 CE LYS A 15 -2.635 -15.066 4.106 1.00 0.00 C ATOM 224 NZ LYS A 15 -1.515 -16.022 3.902 1.00 0.00 N ATOM 0 H LYS A 15 -5.712 -11.680 5.275 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.157 -14.087 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.206 -13.422 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.771 -14.886 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.064 -15.367 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.129 -14.073 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.891 -16.471 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.168 -16.395 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.700 -14.393 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.433 -14.450 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.626 -15.495 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.438 -16.648 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.696 -16.593 3.052 1.00 0.00 H new ATOM 238 N ASP A 16 -5.317 -12.153 8.099 1.00 0.00 N ATOM 239 CA ASP A 16 -5.076 -11.782 9.496 1.00 0.00 C ATOM 240 C ASP A 16 -6.216 -10.925 10.035 1.00 0.00 C ATOM 241 O ASP A 16 -6.489 -10.915 11.236 1.00 0.00 O ATOM 242 CB ASP A 16 -3.744 -11.035 9.611 1.00 0.00 C ATOM 243 CG ASP A 16 -3.426 -10.612 11.031 1.00 0.00 C ATOM 244 OD1 ASP A 16 -3.445 -11.477 11.931 1.00 0.00 O ATOM 245 OD2 ASP A 16 -3.152 -9.409 11.248 1.00 0.00 O ATOM 0 H ASP A 16 -4.738 -11.654 7.424 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.028 -12.691 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.942 -11.673 9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.772 -10.152 8.972 1.00 0.00 H new ATOM 250 N LYS A 17 -6.875 -10.208 9.127 1.00 0.00 N ATOM 251 CA LYS A 17 -7.996 -9.321 9.456 1.00 0.00 C ATOM 252 C LYS A 17 -7.534 -8.143 10.317 1.00 0.00 C ATOM 253 O LYS A 17 -8.346 -7.383 10.845 1.00 0.00 O ATOM 254 CB LYS A 17 -9.129 -10.098 10.147 1.00 0.00 C ATOM 255 CG LYS A 17 -10.473 -9.384 10.106 1.00 0.00 C ATOM 256 CD LYS A 17 -10.886 -9.082 8.672 1.00 0.00 C ATOM 257 CE LYS A 17 -12.174 -8.282 8.614 1.00 0.00 C ATOM 258 NZ LYS A 17 -12.528 -7.912 7.221 1.00 0.00 N ATOM 0 H LYS A 17 -6.646 -10.224 8.133 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.387 -8.917 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.231 -11.074 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.854 -10.277 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.232 -10.003 10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.413 -8.456 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.091 -8.528 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.014 -10.017 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.984 -8.864 9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.069 -7.379 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.413 -7.366 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.766 -7.335 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.653 -8.775 6.654 1.00 0.00 H new ATOM 272 N GLY A 18 -6.226 -7.991 10.442 1.00 0.00 N ATOM 273 CA GLY A 18 -5.678 -6.872 11.173 1.00 0.00 C ATOM 274 C GLY A 18 -5.398 -5.697 10.263 1.00 0.00 C ATOM 275 O GLY A 18 -5.137 -5.889 9.071 1.00 0.00 O ATOM 0 H GLY A 18 -5.532 -8.626 10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.376 -6.570 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.756 -7.177 11.669 1.00 0.00 H new ATOM 279 N PRO A 19 -5.452 -4.467 10.796 1.00 0.00 N ATOM 280 CA PRO A 19 -5.203 -3.255 10.014 1.00 0.00 C ATOM 281 C PRO A 19 -3.776 -3.202 9.475 1.00 0.00 C ATOM 282 O PRO A 19 -2.802 -3.392 10.212 1.00 0.00 O ATOM 283 CB PRO A 19 -5.445 -2.117 11.009 1.00 0.00 C ATOM 284 CG PRO A 19 -5.304 -2.738 12.355 1.00 0.00 C ATOM 285 CD PRO A 19 -5.754 -4.163 12.206 1.00 0.00 C ATOM 0 HA PRO A 19 -5.845 -3.202 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.724 -1.312 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.436 -1.683 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.271 -2.690 12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.911 -2.213 13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.219 -4.827 12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.816 -4.274 12.423 1.00 0.00 H new ATOM 293 N LEU A 20 -3.665 -2.952 8.183 1.00 0.00 N ATOM 294 CA LEU A 20 -2.373 -2.877 7.526 1.00 0.00 C ATOM 295 C LEU A 20 -1.763 -1.500 7.739 1.00 0.00 C ATOM 296 O LEU A 20 -2.484 -0.503 7.815 1.00 0.00 O ATOM 297 CB LEU A 20 -2.533 -3.168 6.033 1.00 0.00 C ATOM 298 CG LEU A 20 -3.127 -4.540 5.712 1.00 0.00 C ATOM 299 CD1 LEU A 20 -3.426 -4.659 4.227 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.183 -5.645 6.155 1.00 0.00 C ATOM 0 H LEU A 20 -4.461 -2.796 7.564 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.705 -3.623 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.168 -2.400 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.557 -3.088 5.554 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.063 -4.646 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.848 -5.642 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.140 -3.889 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.504 -4.532 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.622 -6.615 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.231 -5.541 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.018 -5.573 7.230 1.00 0.00 H new ATOM 312 N ARG A 21 -0.443 -1.445 7.841 1.00 0.00 N ATOM 313 CA ARG A 21 0.238 -0.182 8.062 1.00 0.00 C ATOM 314 C ARG A 21 0.440 0.522 6.727 1.00 0.00 C ATOM 315 O ARG A 21 1.075 -0.014 5.816 1.00 0.00 O ATOM 316 CB ARG A 21 1.576 -0.402 8.780 1.00 0.00 C ATOM 317 CG ARG A 21 2.149 0.868 9.391 1.00 0.00 C ATOM 318 CD ARG A 21 3.330 0.577 10.305 1.00 0.00 C ATOM 319 NE ARG A 21 3.745 1.768 11.052 1.00 0.00 N ATOM 320 CZ ARG A 21 4.470 1.740 12.174 1.00 0.00 C ATOM 321 NH1 ARG A 21 4.909 0.589 12.669 1.00 0.00 N ATOM 322 NH2 ARG A 21 4.767 2.871 12.802 1.00 0.00 N ATOM 0 H ARG A 21 0.173 -2.256 7.775 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.376 0.449 8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.441 -1.145 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.296 -0.813 8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.464 1.543 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.371 1.382 9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.062 -0.216 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.167 0.210 9.712 1.00 0.00 H new ATOM 0 HE ARG A 21 3.461 2.679 10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.694 -0.287 12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.462 0.580 13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.442 3.763 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.320 2.849 13.658 1.00 0.00 H new ATOM 336 N TYR A 22 -0.125 1.714 6.624 1.00 0.00 N ATOM 337 CA TYR A 22 -0.172 2.452 5.369 1.00 0.00 C ATOM 338 C TYR A 22 1.070 3.323 5.194 1.00 0.00 C ATOM 339 O TYR A 22 1.311 4.238 5.977 1.00 0.00 O ATOM 340 CB TYR A 22 -1.437 3.322 5.337 1.00 0.00 C ATOM 341 CG TYR A 22 -1.626 4.123 4.063 1.00 0.00 C ATOM 342 CD1 TYR A 22 -2.243 3.562 2.951 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.211 5.447 3.981 1.00 0.00 C ATOM 344 CE1 TYR A 22 -2.439 4.297 1.795 1.00 0.00 C ATOM 345 CE2 TYR A 22 -1.400 6.186 2.827 1.00 0.00 C ATOM 346 CZ TYR A 22 -2.015 5.608 1.738 1.00 0.00 C ATOM 347 OH TYR A 22 -2.219 6.346 0.590 1.00 0.00 O ATOM 0 H TYR A 22 -0.564 2.198 7.407 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.197 1.738 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.306 2.680 5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.409 4.010 6.182 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.575 2.535 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.733 5.907 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.922 3.846 0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.067 7.212 2.780 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.862 7.250 0.715 1.00 0.00 H new ATOM 357 N LEU A 23 1.860 3.017 4.175 1.00 0.00 N ATOM 358 CA LEU A 23 3.006 3.843 3.812 1.00 0.00 C ATOM 359 C LEU A 23 2.590 4.837 2.733 1.00 0.00 C ATOM 360 O LEU A 23 2.288 4.446 1.604 1.00 0.00 O ATOM 361 CB LEU A 23 4.182 2.986 3.315 1.00 0.00 C ATOM 362 CG LEU A 23 4.948 2.197 4.389 1.00 0.00 C ATOM 363 CD1 LEU A 23 5.382 3.114 5.522 1.00 0.00 C ATOM 364 CD2 LEU A 23 4.116 1.041 4.927 1.00 0.00 C ATOM 0 H LEU A 23 1.728 2.198 3.581 1.00 0.00 H new ATOM 0 HA LEU A 23 3.340 4.379 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.803 2.280 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.888 3.638 2.800 1.00 0.00 H new ATOM 0 HG LEU A 23 5.839 1.778 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.922 2.536 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.032 3.896 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.503 3.569 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.687 0.504 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.199 1.428 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.866 0.362 4.112 1.00 0.00 H new ATOM 376 N GLU A 24 2.574 6.116 3.084 1.00 0.00 N ATOM 377 CA GLU A 24 2.066 7.153 2.190 1.00 0.00 C ATOM 378 C GLU A 24 3.006 7.393 1.011 1.00 0.00 C ATOM 379 O GLU A 24 2.567 7.793 -0.063 1.00 0.00 O ATOM 380 CB GLU A 24 1.871 8.476 2.937 1.00 0.00 C ATOM 381 CG GLU A 24 1.292 8.334 4.335 1.00 0.00 C ATOM 382 CD GLU A 24 2.363 8.212 5.399 1.00 0.00 C ATOM 383 OE1 GLU A 24 2.926 9.251 5.793 1.00 0.00 O ATOM 384 OE2 GLU A 24 2.646 7.084 5.850 1.00 0.00 O ATOM 0 H GLU A 24 2.907 6.463 3.983 1.00 0.00 H new ATOM 0 HA GLU A 24 1.107 6.797 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.833 8.984 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.214 9.117 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.664 9.198 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.648 7.455 4.370 1.00 0.00 H new ATOM 391 N SER A 25 4.295 7.152 1.215 1.00 0.00 N ATOM 392 CA SER A 25 5.302 7.489 0.215 1.00 0.00 C ATOM 393 C SER A 25 5.155 6.660 -1.063 1.00 0.00 C ATOM 394 O SER A 25 5.341 7.176 -2.166 1.00 0.00 O ATOM 395 CB SER A 25 6.705 7.301 0.794 1.00 0.00 C ATOM 396 OG SER A 25 6.869 8.051 1.990 1.00 0.00 O ATOM 0 H SER A 25 4.668 6.725 2.063 1.00 0.00 H new ATOM 0 HA SER A 25 5.149 8.535 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.880 6.244 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.449 7.612 0.061 1.00 0.00 H new ATOM 0 HG SER A 25 7.773 7.913 2.341 1.00 0.00 H new ATOM 402 N GLU A 26 4.825 5.382 -0.921 1.00 0.00 N ATOM 403 CA GLU A 26 4.785 4.483 -2.073 1.00 0.00 C ATOM 404 C GLU A 26 3.491 3.673 -2.114 1.00 0.00 C ATOM 405 O GLU A 26 3.380 2.712 -2.877 1.00 0.00 O ATOM 406 CB GLU A 26 6.004 3.553 -2.046 1.00 0.00 C ATOM 407 CG GLU A 26 7.327 4.303 -2.121 1.00 0.00 C ATOM 408 CD GLU A 26 8.541 3.400 -2.042 1.00 0.00 C ATOM 409 OE1 GLU A 26 8.887 2.764 -3.062 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.179 3.355 -0.970 1.00 0.00 O ATOM 0 H GLU A 26 4.583 4.946 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 26 4.814 5.090 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.981 2.959 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.940 2.855 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.363 4.866 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.371 5.028 -1.309 1.00 0.00 H new ATOM 417 N GLN A 27 2.509 4.087 -1.307 1.00 0.00 N ATOM 418 CA GLN A 27 1.215 3.403 -1.219 1.00 0.00 C ATOM 419 C GLN A 27 1.387 1.912 -0.948 1.00 0.00 C ATOM 420 O GLN A 27 1.047 1.068 -1.780 1.00 0.00 O ATOM 421 CB GLN A 27 0.380 3.622 -2.487 1.00 0.00 C ATOM 422 CG GLN A 27 -0.533 4.836 -2.413 1.00 0.00 C ATOM 423 CD GLN A 27 0.219 6.145 -2.296 1.00 0.00 C ATOM 424 OE1 GLN A 27 1.316 6.303 -2.833 1.00 0.00 O ATOM 425 NE2 GLN A 27 -0.358 7.089 -1.574 1.00 0.00 N ATOM 0 H GLN A 27 2.588 4.902 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 27 0.679 3.841 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.051 3.734 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.224 2.734 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.161 4.864 -3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.199 4.730 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.268 6.919 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.106 7.988 -1.445 1.00 0.00 H new ATOM 434 N LEU A 28 1.920 1.598 0.219 1.00 0.00 N ATOM 435 CA LEU A 28 2.146 0.217 0.602 1.00 0.00 C ATOM 436 C LEU A 28 1.346 -0.124 1.845 1.00 0.00 C ATOM 437 O LEU A 28 1.257 0.678 2.775 1.00 0.00 O ATOM 438 CB LEU A 28 3.631 -0.038 0.867 1.00 0.00 C ATOM 439 CG LEU A 28 4.546 0.081 -0.352 1.00 0.00 C ATOM 440 CD1 LEU A 28 6.003 -0.082 0.056 1.00 0.00 C ATOM 441 CD2 LEU A 28 4.170 -0.963 -1.393 1.00 0.00 C ATOM 0 H LEU A 28 2.205 2.283 0.919 1.00 0.00 H new ATOM 0 HA LEU A 28 1.821 -0.417 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.973 0.665 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.741 -1.038 1.286 1.00 0.00 H new ATOM 0 HG LEU A 28 4.419 1.073 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.639 0.006 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.269 0.694 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.146 -1.062 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.828 -0.869 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.275 -1.959 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.137 -0.810 -1.705 1.00 0.00 H new ATOM 453 N LEU A 29 0.753 -1.303 1.847 1.00 0.00 N ATOM 454 CA LEU A 29 0.040 -1.796 3.010 1.00 0.00 C ATOM 455 C LEU A 29 0.786 -2.987 3.580 1.00 0.00 C ATOM 456 O LEU A 29 0.796 -4.063 2.988 1.00 0.00 O ATOM 457 CB LEU A 29 -1.383 -2.208 2.630 1.00 0.00 C ATOM 458 CG LEU A 29 -2.262 -1.087 2.072 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.590 -1.650 1.585 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.494 -0.016 3.127 1.00 0.00 C ATOM 0 H LEU A 29 0.751 -1.941 1.051 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.019 -1.004 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.327 -3.006 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.870 -2.625 3.511 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.747 -0.631 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.205 -0.841 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.408 -2.384 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.109 -2.129 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.121 0.773 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.990 -0.458 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.537 0.405 3.435 1.00 0.00 H new ATOM 472 N VAL A 30 1.407 -2.804 4.727 1.00 0.00 N ATOM 473 CA VAL A 30 2.246 -3.847 5.290 1.00 0.00 C ATOM 474 C VAL A 30 1.659 -4.385 6.587 1.00 0.00 C ATOM 475 O VAL A 30 1.287 -3.619 7.473 1.00 0.00 O ATOM 476 CB VAL A 30 3.683 -3.338 5.553 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.573 -4.457 6.085 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.279 -2.741 4.286 1.00 0.00 C ATOM 0 H VAL A 30 1.349 -1.952 5.285 1.00 0.00 H new ATOM 0 HA VAL A 30 2.286 -4.651 4.555 1.00 0.00 H new ATOM 0 HB VAL A 30 3.629 -2.559 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.577 -4.071 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.161 -4.836 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.618 -5.265 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.290 -2.388 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.311 -3.501 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.664 -1.905 3.953 1.00 0.00 H new ATOM 488 N ASN A 31 1.555 -5.702 6.682 1.00 0.00 N ATOM 489 CA ASN A 31 1.181 -6.341 7.934 1.00 0.00 C ATOM 490 C ASN A 31 2.449 -6.577 8.738 1.00 0.00 C ATOM 491 O ASN A 31 3.315 -7.355 8.334 1.00 0.00 O ATOM 492 CB ASN A 31 0.454 -7.666 7.689 1.00 0.00 C ATOM 493 CG ASN A 31 -0.084 -8.276 8.973 1.00 0.00 C ATOM 494 OD1 ASN A 31 0.647 -8.934 9.710 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.366 -8.071 9.242 1.00 0.00 N ATOM 0 H ASN A 31 1.724 -6.347 5.910 1.00 0.00 H new ATOM 0 HA ASN A 31 0.495 -5.694 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.370 -7.503 6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.137 -8.370 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.779 -8.466 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.939 -7.519 8.604 1.00 0.00 H new ATOM 502 N GLU A 32 2.554 -5.917 9.874 1.00 0.00 N ATOM 503 CA GLU A 32 3.803 -5.875 10.622 1.00 0.00 C ATOM 504 C GLU A 32 4.008 -7.146 11.440 1.00 0.00 C ATOM 505 O GLU A 32 5.072 -7.371 12.019 1.00 0.00 O ATOM 506 CB GLU A 32 3.794 -4.642 11.521 1.00 0.00 C ATOM 507 CG GLU A 32 5.142 -4.296 12.121 1.00 0.00 C ATOM 508 CD GLU A 32 5.119 -2.951 12.807 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.322 -1.933 12.119 1.00 0.00 O ATOM 510 OE2 GLU A 32 4.878 -2.901 14.032 1.00 0.00 O ATOM 0 H GLU A 32 1.788 -5.399 10.304 1.00 0.00 H new ATOM 0 HA GLU A 32 4.637 -5.813 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.437 -3.789 10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.080 -4.802 12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.430 -5.065 12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.899 -4.292 11.337 1.00 0.00 H new ATOM 517 N ARG A 33 2.992 -7.989 11.461 1.00 0.00 N ATOM 518 CA ARG A 33 3.030 -9.208 12.250 1.00 0.00 C ATOM 519 C ARG A 33 3.386 -10.408 11.373 1.00 0.00 C ATOM 520 O ARG A 33 4.102 -11.311 11.798 1.00 0.00 O ATOM 521 CB ARG A 33 1.678 -9.406 12.934 1.00 0.00 C ATOM 522 CG ARG A 33 1.257 -8.197 13.759 1.00 0.00 C ATOM 523 CD ARG A 33 -0.192 -8.288 14.202 1.00 0.00 C ATOM 524 NE ARG A 33 -0.413 -9.365 15.158 1.00 0.00 N ATOM 525 CZ ARG A 33 -1.360 -10.287 15.021 1.00 0.00 C ATOM 526 NH1 ARG A 33 -2.096 -10.322 13.921 1.00 0.00 N ATOM 527 NH2 ARG A 33 -1.570 -11.173 15.981 1.00 0.00 N ATOM 0 H ARG A 33 2.127 -7.852 10.939 1.00 0.00 H new ATOM 0 HA ARG A 33 3.803 -9.122 13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.919 -9.608 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.726 -10.283 13.580 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.900 -8.115 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.400 -7.290 13.172 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.493 -7.341 14.650 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.827 -8.444 13.330 1.00 0.00 H new ATOM 0 HE ARG A 33 0.192 -9.414 15.977 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.936 -9.641 13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.823 -11.030 13.816 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.004 -11.150 16.829 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.298 -11.879 15.873 1.00 0.00 H new ATOM 541 N LEU A 34 2.891 -10.406 10.142 1.00 0.00 N ATOM 542 CA LEU A 34 3.191 -11.472 9.192 1.00 0.00 C ATOM 543 C LEU A 34 4.397 -11.109 8.329 1.00 0.00 C ATOM 544 O LEU A 34 5.017 -11.982 7.717 1.00 0.00 O ATOM 545 CB LEU A 34 1.973 -11.744 8.301 1.00 0.00 C ATOM 546 CG LEU A 34 0.707 -12.180 9.039 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.431 -12.399 8.052 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.970 -13.445 9.840 1.00 0.00 C ATOM 0 H LEU A 34 2.279 -9.677 9.776 1.00 0.00 H new ATOM 0 HA LEU A 34 3.430 -12.373 9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.750 -10.841 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.237 -12.517 7.579 1.00 0.00 H new ATOM 0 HG LEU A 34 0.417 -11.389 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.326 -12.709 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.633 -11.471 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.150 -13.174 7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.059 -13.743 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.281 -14.244 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.758 -13.257 10.569 1.00 0.00 H new ATOM 560 N ASN A 35 4.721 -9.815 8.297 1.00 0.00 N ATOM 561 CA ASN A 35 5.832 -9.289 7.495 1.00 0.00 C ATOM 562 C ASN A 35 5.532 -9.428 6.006 1.00 0.00 C ATOM 563 O ASN A 35 6.427 -9.672 5.196 1.00 0.00 O ATOM 564 CB ASN A 35 7.157 -9.989 7.838 1.00 0.00 C ATOM 565 CG ASN A 35 7.600 -9.767 9.274 1.00 0.00 C ATOM 566 OD1 ASN A 35 7.258 -8.618 9.841 1.00 0.00 O flip ATOM 567 ND2 ASN A 35 8.256 -10.622 9.870 1.00 0.00 N flip ATOM 0 H ASN A 35 4.221 -9.100 8.826 1.00 0.00 H new ATOM 0 HA ASN A 35 5.939 -8.232 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.051 -11.059 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.935 -9.628 7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.501 -11.495 9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.554 -10.458 10.831 1.00 0.00 H new ATOM 574 N LEU A 36 4.267 -9.252 5.657 1.00 0.00 N ATOM 575 CA LEU A 36 3.830 -9.339 4.270 1.00 0.00 C ATOM 576 C LEU A 36 3.250 -8.004 3.827 1.00 0.00 C ATOM 577 O LEU A 36 2.651 -7.284 4.633 1.00 0.00 O ATOM 578 CB LEU A 36 2.785 -10.446 4.112 1.00 0.00 C ATOM 579 CG LEU A 36 3.278 -11.855 4.440 1.00 0.00 C ATOM 580 CD1 LEU A 36 2.120 -12.839 4.425 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.352 -12.291 3.456 1.00 0.00 C ATOM 0 H LEU A 36 3.519 -9.047 6.320 1.00 0.00 H new ATOM 0 HA LEU A 36 4.689 -9.579 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.935 -10.216 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.420 -10.436 3.085 1.00 0.00 H new ATOM 0 HG LEU A 36 3.712 -11.841 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.488 -13.838 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.380 -12.541 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.661 -12.845 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.689 -13.297 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.943 -12.287 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.195 -11.602 3.509 1.00 0.00 H new ATOM 593 N ALA A 37 3.423 -7.674 2.559 1.00 0.00 N ATOM 594 CA ALA A 37 3.008 -6.379 2.053 1.00 0.00 C ATOM 595 C ALA A 37 2.026 -6.514 0.899 1.00 0.00 C ATOM 596 O ALA A 37 2.142 -7.414 0.065 1.00 0.00 O ATOM 597 CB ALA A 37 4.222 -5.572 1.621 1.00 0.00 C ATOM 0 H ALA A 37 3.848 -8.285 1.862 1.00 0.00 H new ATOM 0 HA ALA A 37 2.497 -5.855 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.898 -4.602 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.884 -5.426 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.755 -6.108 0.836 1.00 0.00 H new ATOM 603 N TYR A 38 1.050 -5.625 0.882 1.00 0.00 N ATOM 604 CA TYR A 38 0.100 -5.518 -0.212 1.00 0.00 C ATOM 605 C TYR A 38 0.335 -4.206 -0.941 1.00 0.00 C ATOM 606 O TYR A 38 0.575 -3.174 -0.304 1.00 0.00 O ATOM 607 CB TYR A 38 -1.339 -5.562 0.310 1.00 0.00 C ATOM 608 CG TYR A 38 -1.712 -6.845 1.014 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.454 -7.021 2.367 1.00 0.00 C ATOM 610 CD2 TYR A 38 -2.339 -7.873 0.326 1.00 0.00 C ATOM 611 CE1 TYR A 38 -1.807 -8.188 3.014 1.00 0.00 C ATOM 612 CE2 TYR A 38 -2.700 -9.040 0.967 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.432 -9.193 2.310 1.00 0.00 C ATOM 614 OH TYR A 38 -2.791 -10.356 2.952 1.00 0.00 O ATOM 0 H TYR A 38 0.892 -4.952 1.632 1.00 0.00 H new ATOM 0 HA TYR A 38 0.245 -6.359 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.488 -4.729 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.020 -5.411 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.969 -6.232 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.548 -7.758 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.594 -8.312 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.191 -9.830 0.419 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.932 -10.174 3.905 1.00 0.00 H new ATOM 624 N ARG A 39 0.284 -4.235 -2.259 1.00 0.00 N ATOM 625 CA ARG A 39 0.499 -3.028 -3.038 1.00 0.00 C ATOM 626 C ARG A 39 -0.816 -2.395 -3.456 1.00 0.00 C ATOM 627 O ARG A 39 -1.775 -3.087 -3.806 1.00 0.00 O ATOM 628 CB ARG A 39 1.339 -3.317 -4.283 1.00 0.00 C ATOM 629 CG ARG A 39 2.815 -3.527 -3.997 1.00 0.00 C ATOM 630 CD ARG A 39 3.600 -3.731 -5.281 1.00 0.00 C ATOM 631 NE ARG A 39 5.041 -3.751 -5.042 1.00 0.00 N ATOM 632 CZ ARG A 39 5.909 -4.467 -5.749 1.00 0.00 C ATOM 633 NH1 ARG A 39 5.499 -5.196 -6.778 1.00 0.00 N ATOM 634 NH2 ARG A 39 7.195 -4.431 -5.441 1.00 0.00 N ATOM 0 H ARG A 39 0.097 -5.073 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 39 1.038 -2.330 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.945 -4.206 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.229 -2.489 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.210 -2.665 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.943 -4.393 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.296 -4.668 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.360 -2.933 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 39 5.405 -3.177 -4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.511 -5.210 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.171 -5.743 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.517 -3.855 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.864 -4.979 -5.981 1.00 0.00 H new ATOM 648 N ILE A 40 -0.859 -1.076 -3.397 1.00 0.00 N ATOM 649 CA ILE A 40 -1.957 -0.333 -3.977 1.00 0.00 C ATOM 650 C ILE A 40 -1.540 0.094 -5.371 1.00 0.00 C ATOM 651 O ILE A 40 -0.633 0.913 -5.535 1.00 0.00 O ATOM 652 CB ILE A 40 -2.334 0.906 -3.133 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.593 0.495 -1.680 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.562 1.592 -3.719 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.892 1.659 -0.758 1.00 0.00 C ATOM 0 H ILE A 40 -0.145 -0.499 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.841 -0.970 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.503 1.611 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.431 -0.202 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.721 -0.040 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.816 2.463 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.349 1.909 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.401 0.896 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.064 1.288 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.046 2.346 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.782 2.182 -1.109 1.00 0.00 H new ATOM 667 N ASP A 41 -2.182 -0.478 -6.371 1.00 0.00 N ATOM 668 CA ASP A 41 -1.744 -0.304 -7.746 1.00 0.00 C ATOM 669 C ASP A 41 -2.712 0.576 -8.520 1.00 0.00 C ATOM 670 O ASP A 41 -3.792 0.132 -8.920 1.00 0.00 O ATOM 671 CB ASP A 41 -1.592 -1.668 -8.422 1.00 0.00 C ATOM 672 CG ASP A 41 -0.999 -1.574 -9.814 1.00 0.00 C ATOM 673 OD1 ASP A 41 0.066 -0.942 -9.975 1.00 0.00 O ATOM 674 OD2 ASP A 41 -1.579 -2.166 -10.751 1.00 0.00 O ATOM 0 H ASP A 41 -3.008 -1.067 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.775 0.195 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.958 -2.305 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.568 -2.150 -8.480 1.00 0.00 H new ATOM 679 N ASP A 42 -2.321 1.832 -8.692 1.00 0.00 N ATOM 680 CA ASP A 42 -3.096 2.806 -9.454 1.00 0.00 C ATOM 681 C ASP A 42 -4.478 3.013 -8.829 1.00 0.00 C ATOM 682 O ASP A 42 -5.497 3.035 -9.518 1.00 0.00 O ATOM 683 CB ASP A 42 -3.208 2.371 -10.922 1.00 0.00 C ATOM 684 CG ASP A 42 -3.698 3.487 -11.822 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.094 4.580 -11.797 1.00 0.00 O ATOM 686 OD2 ASP A 42 -4.687 3.279 -12.557 1.00 0.00 O ATOM 0 H ASP A 42 -1.454 2.207 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.574 3.763 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.234 2.028 -11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.890 1.524 -10.996 1.00 0.00 H new ATOM 691 N GLY A 43 -4.502 3.154 -7.510 1.00 0.00 N ATOM 692 CA GLY A 43 -5.743 3.431 -6.812 1.00 0.00 C ATOM 693 C GLY A 43 -6.442 2.174 -6.337 1.00 0.00 C ATOM 694 O GLY A 43 -7.320 2.235 -5.477 1.00 0.00 O ATOM 0 H GLY A 43 -3.681 3.081 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.537 4.073 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.410 3.985 -7.472 1.00 0.00 H new ATOM 698 N ILE A 44 -6.048 1.031 -6.880 1.00 0.00 N ATOM 699 CA ILE A 44 -6.682 -0.232 -6.529 1.00 0.00 C ATOM 700 C ILE A 44 -5.747 -1.084 -5.675 1.00 0.00 C ATOM 701 O ILE A 44 -4.737 -1.593 -6.166 1.00 0.00 O ATOM 702 CB ILE A 44 -7.091 -1.035 -7.784 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.038 -0.215 -8.666 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.748 -2.351 -7.389 1.00 0.00 C ATOM 705 CD1 ILE A 44 -9.336 0.169 -7.983 1.00 0.00 C ATOM 0 H ILE A 44 -5.295 0.952 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.581 0.010 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.188 -1.255 -8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.526 0.692 -8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.267 -0.787 -9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.029 -2.901 -8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.048 -2.946 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.639 -2.149 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.952 0.747 -8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.872 -0.733 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.119 0.769 -7.099 1.00 0.00 H new ATOM 717 N PRO A 45 -6.060 -1.222 -4.377 1.00 0.00 N ATOM 718 CA PRO A 45 -5.310 -2.076 -3.459 1.00 0.00 C ATOM 719 C PRO A 45 -5.666 -3.545 -3.661 1.00 0.00 C ATOM 720 O PRO A 45 -6.813 -3.948 -3.470 1.00 0.00 O ATOM 721 CB PRO A 45 -5.754 -1.602 -2.061 1.00 0.00 C ATOM 722 CG PRO A 45 -6.666 -0.433 -2.286 1.00 0.00 C ATOM 723 CD PRO A 45 -7.176 -0.561 -3.694 1.00 0.00 C ATOM 0 HA PRO A 45 -4.233 -2.002 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.268 -2.399 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.894 -1.314 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.490 -0.439 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.133 0.508 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.090 -1.154 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.403 0.410 -4.133 1.00 0.00 H new ATOM 731 N VAL A 46 -4.688 -4.341 -4.052 1.00 0.00 N ATOM 732 CA VAL A 46 -4.933 -5.744 -4.335 1.00 0.00 C ATOM 733 C VAL A 46 -4.867 -6.566 -3.051 1.00 0.00 C ATOM 734 O VAL A 46 -3.812 -7.078 -2.673 1.00 0.00 O ATOM 735 CB VAL A 46 -3.935 -6.309 -5.370 1.00 0.00 C ATOM 736 CG1 VAL A 46 -4.397 -7.670 -5.867 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.753 -5.342 -6.533 1.00 0.00 C ATOM 0 H VAL A 46 -3.721 -4.043 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.933 -5.816 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.969 -6.432 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.682 -8.053 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.464 -8.361 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.376 -7.573 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.046 -5.762 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.712 -5.179 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.370 -4.392 -6.160 1.00 0.00 H new ATOM 747 N LEU A 47 -5.994 -6.661 -2.365 1.00 0.00 N ATOM 748 CA LEU A 47 -6.064 -7.404 -1.117 1.00 0.00 C ATOM 749 C LEU A 47 -6.553 -8.825 -1.370 1.00 0.00 C ATOM 750 O LEU A 47 -7.752 -9.067 -1.486 1.00 0.00 O ATOM 751 CB LEU A 47 -6.988 -6.698 -0.120 1.00 0.00 C ATOM 752 CG LEU A 47 -6.552 -5.289 0.291 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.567 -4.677 1.243 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.173 -5.323 0.932 1.00 0.00 C ATOM 0 H LEU A 47 -6.874 -6.232 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.062 -7.449 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.986 -6.640 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.065 -7.313 0.777 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.499 -4.669 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.243 -3.676 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.538 -4.619 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.649 -5.297 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.880 -4.313 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.199 -5.958 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.451 -5.723 0.220 1.00 0.00 H new ATOM 766 N LEU A 48 -5.614 -9.754 -1.483 1.00 0.00 N ATOM 767 CA LEU A 48 -5.938 -11.161 -1.684 1.00 0.00 C ATOM 768 C LEU A 48 -5.143 -12.024 -0.720 1.00 0.00 C ATOM 769 O LEU A 48 -4.234 -11.539 -0.045 1.00 0.00 O ATOM 770 CB LEU A 48 -5.658 -11.584 -3.131 1.00 0.00 C ATOM 771 CG LEU A 48 -6.541 -10.917 -4.188 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.105 -11.332 -5.583 1.00 0.00 C ATOM 773 CD2 LEU A 48 -8.006 -11.270 -3.963 1.00 0.00 C ATOM 0 H LEU A 48 -4.614 -9.557 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.001 -11.300 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.615 -11.365 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.781 -12.664 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.429 -9.837 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.743 -10.849 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.070 -11.031 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.188 -12.414 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.618 -10.786 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.134 -12.351 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.316 -10.926 -2.976 1.00 0.00 H new ATOM 785 N ILE A 49 -5.481 -13.300 -0.664 1.00 0.00 N ATOM 786 CA ILE A 49 -4.864 -14.222 0.279 1.00 0.00 C ATOM 787 C ILE A 49 -3.411 -14.509 -0.090 1.00 0.00 C ATOM 788 O ILE A 49 -2.537 -14.535 0.779 1.00 0.00 O ATOM 789 CB ILE A 49 -5.659 -15.549 0.355 1.00 0.00 C ATOM 790 CG1 ILE A 49 -7.015 -15.306 1.029 1.00 0.00 C ATOM 791 CG2 ILE A 49 -4.869 -16.629 1.088 1.00 0.00 C ATOM 792 CD1 ILE A 49 -7.855 -16.554 1.187 1.00 0.00 C ATOM 0 H ILE A 49 -6.186 -13.726 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.881 -13.743 1.258 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.830 -15.907 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.847 -14.866 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.574 -14.575 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.455 -17.547 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.933 -16.816 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.654 -16.296 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.798 -16.299 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.056 -16.984 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.318 -17.279 1.798 1.00 0.00 H new ATOM 804 N ASP A 50 -3.153 -14.691 -1.379 1.00 0.00 N ATOM 805 CA ASP A 50 -1.826 -15.117 -1.831 1.00 0.00 C ATOM 806 C ASP A 50 -1.147 -14.032 -2.669 1.00 0.00 C ATOM 807 O ASP A 50 -0.055 -14.227 -3.197 1.00 0.00 O ATOM 808 CB ASP A 50 -1.940 -16.428 -2.622 1.00 0.00 C ATOM 809 CG ASP A 50 -0.594 -17.074 -2.896 1.00 0.00 C ATOM 810 OD1 ASP A 50 0.119 -17.408 -1.926 1.00 0.00 O ATOM 811 OD2 ASP A 50 -0.253 -17.270 -4.079 1.00 0.00 O ATOM 0 H ASP A 50 -3.834 -14.553 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.202 -15.287 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.566 -17.127 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.442 -16.232 -3.569 1.00 0.00 H new ATOM 816 N GLU A 51 -1.782 -12.872 -2.755 1.00 0.00 N ATOM 817 CA GLU A 51 -1.229 -11.765 -3.529 1.00 0.00 C ATOM 818 C GLU A 51 -0.349 -10.890 -2.636 1.00 0.00 C ATOM 819 O GLU A 51 0.107 -9.817 -3.033 1.00 0.00 O ATOM 820 CB GLU A 51 -2.360 -10.941 -4.148 1.00 0.00 C ATOM 821 CG GLU A 51 -1.910 -10.000 -5.254 1.00 0.00 C ATOM 822 CD GLU A 51 -1.361 -10.734 -6.460 1.00 0.00 C ATOM 823 OE1 GLU A 51 -2.154 -11.348 -7.201 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.130 -10.709 -6.671 1.00 0.00 O ATOM 0 H GLU A 51 -2.674 -12.671 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.613 -12.165 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.113 -11.620 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.841 -10.358 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.752 -9.381 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.146 -9.327 -4.864 1.00 0.00 H new ATOM 831 N ALA A 52 -0.112 -11.363 -1.422 1.00 0.00 N ATOM 832 CA ALA A 52 0.753 -10.666 -0.492 1.00 0.00 C ATOM 833 C ALA A 52 2.205 -10.994 -0.793 1.00 0.00 C ATOM 834 O ALA A 52 2.571 -12.166 -0.908 1.00 0.00 O ATOM 835 CB ALA A 52 0.409 -11.045 0.938 1.00 0.00 C ATOM 0 H ALA A 52 -0.510 -12.230 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 52 0.603 -9.593 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.068 -10.513 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.626 -10.776 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.538 -12.119 1.071 1.00 0.00 H new ATOM 841 N THR A 53 3.023 -9.970 -0.930 1.00 0.00 N ATOM 842 CA THR A 53 4.419 -10.166 -1.260 1.00 0.00 C ATOM 843 C THR A 53 5.282 -10.045 -0.018 1.00 0.00 C ATOM 844 O THR A 53 4.892 -9.417 0.967 1.00 0.00 O ATOM 845 CB THR A 53 4.902 -9.165 -2.338 1.00 0.00 C ATOM 846 OG1 THR A 53 6.311 -9.305 -2.573 1.00 0.00 O ATOM 847 CG2 THR A 53 4.592 -7.726 -1.946 1.00 0.00 C ATOM 0 H THR A 53 2.745 -8.995 -0.818 1.00 0.00 H new ATOM 0 HA THR A 53 4.516 -11.172 -1.669 1.00 0.00 H new ATOM 0 HB THR A 53 4.361 -9.398 -3.255 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.594 -8.664 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.945 -7.052 -2.726 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.516 -7.606 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.093 -7.489 -1.007 1.00 0.00 H new ATOM 855 N GLU A 54 6.447 -10.665 -0.070 1.00 0.00 N ATOM 856 CA GLU A 54 7.395 -10.608 1.032 1.00 0.00 C ATOM 857 C GLU A 54 7.992 -9.214 1.143 1.00 0.00 C ATOM 858 O GLU A 54 8.392 -8.621 0.140 1.00 0.00 O ATOM 859 CB GLU A 54 8.512 -11.629 0.830 1.00 0.00 C ATOM 860 CG GLU A 54 8.034 -13.068 0.836 1.00 0.00 C ATOM 861 CD GLU A 54 9.128 -14.028 0.436 1.00 0.00 C ATOM 862 OE1 GLU A 54 9.884 -14.482 1.321 1.00 0.00 O ATOM 863 OE2 GLU A 54 9.253 -14.310 -0.773 1.00 0.00 O ATOM 0 H GLU A 54 6.762 -11.217 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 54 6.862 -10.844 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.011 -11.425 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.256 -11.500 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.671 -13.326 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.191 -13.173 0.153 1.00 0.00 H new ATOM 870 N TRP A 55 8.034 -8.689 2.352 1.00 0.00 N ATOM 871 CA TRP A 55 8.644 -7.396 2.596 1.00 0.00 C ATOM 872 C TRP A 55 9.829 -7.582 3.535 1.00 0.00 C ATOM 873 O TRP A 55 10.027 -8.676 4.065 1.00 0.00 O ATOM 874 CB TRP A 55 7.611 -6.429 3.190 1.00 0.00 C ATOM 875 CG TRP A 55 8.057 -4.998 3.193 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.233 -4.195 4.284 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.393 -4.202 2.047 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.655 -2.948 3.888 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.761 -2.928 2.519 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.417 -4.441 0.671 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.150 -1.897 1.663 1.00 0.00 C ATOM 882 CZ3 TRP A 55 8.803 -3.418 -0.178 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.166 -2.162 0.321 1.00 0.00 C ATOM 0 H TRP A 55 7.652 -9.140 3.183 1.00 0.00 H new ATOM 0 HA TRP A 55 8.998 -6.966 1.659 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.683 -6.510 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.388 -6.733 4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 55 8.065 -4.496 5.308 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.857 -2.165 4.510 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.139 -5.407 0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.428 -0.926 2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.824 -3.592 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.465 -1.386 -0.368 1.00 0.00 H new ATOM 894 N THR A 56 10.627 -6.535 3.711 1.00 0.00 N ATOM 895 CA THR A 56 11.770 -6.579 4.610 1.00 0.00 C ATOM 896 C THR A 56 11.320 -6.895 6.037 1.00 0.00 C ATOM 897 O THR A 56 10.630 -6.097 6.671 1.00 0.00 O ATOM 898 CB THR A 56 12.527 -5.243 4.589 1.00 0.00 C ATOM 899 OG1 THR A 56 12.789 -4.860 3.230 1.00 0.00 O ATOM 900 CG2 THR A 56 13.841 -5.346 5.349 1.00 0.00 C ATOM 0 H THR A 56 10.500 -5.640 3.238 1.00 0.00 H new ATOM 0 HA THR A 56 12.438 -7.369 4.267 1.00 0.00 H new ATOM 0 HB THR A 56 11.906 -4.490 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.271 -4.007 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.356 -4.386 5.318 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.641 -5.617 6.386 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.469 -6.109 4.889 1.00 0.00 H new ATOM 908 N PRO A 57 11.689 -8.078 6.548 1.00 0.00 N ATOM 909 CA PRO A 57 11.269 -8.541 7.860 1.00 0.00 C ATOM 910 C PRO A 57 12.255 -8.153 8.959 1.00 0.00 C ATOM 911 O PRO A 57 13.051 -7.223 8.795 1.00 0.00 O ATOM 912 CB PRO A 57 11.242 -10.053 7.664 1.00 0.00 C ATOM 913 CG PRO A 57 12.339 -10.332 6.685 1.00 0.00 C ATOM 914 CD PRO A 57 12.551 -9.067 5.881 1.00 0.00 C ATOM 0 HA PRO A 57 10.322 -8.108 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.409 -10.577 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.277 -10.385 7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.255 -10.617 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.071 -11.163 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.596 -8.758 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.269 -9.204 4.837 1.00 0.00 H new ATOM 922 N ASN A 58 12.191 -8.865 10.075 1.00 0.00 N ATOM 923 CA ASN A 58 13.100 -8.625 11.186 1.00 0.00 C ATOM 924 C ASN A 58 14.496 -9.128 10.828 1.00 0.00 C ATOM 925 O ASN A 58 14.645 -9.997 9.966 1.00 0.00 O ATOM 926 CB ASN A 58 12.581 -9.323 12.451 1.00 0.00 C ATOM 927 CG ASN A 58 13.397 -8.992 13.688 1.00 0.00 C ATOM 928 OD1 ASN A 58 13.978 -7.908 13.801 1.00 0.00 O ATOM 929 ND2 ASN A 58 13.439 -9.920 14.627 1.00 0.00 N ATOM 0 H ASN A 58 11.518 -9.615 10.235 1.00 0.00 H new ATOM 0 HA ASN A 58 13.154 -7.554 11.382 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.543 -9.034 12.619 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.590 -10.402 12.294 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.966 -9.754 15.485 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.945 -10.802 14.494 1.00 0.00 H new ATOM 936 N ASN A 59 15.510 -8.574 11.478 1.00 0.00 N ATOM 937 CA ASN A 59 16.891 -8.953 11.206 1.00 0.00 C ATOM 938 C ASN A 59 17.194 -10.321 11.797 1.00 0.00 C ATOM 939 O ASN A 59 16.452 -10.822 12.643 1.00 0.00 O ATOM 940 CB ASN A 59 17.875 -7.916 11.764 1.00 0.00 C ATOM 941 CG ASN A 59 17.819 -6.593 11.028 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.460 -6.417 9.988 1.00 0.00 O ATOM 943 ND2 ASN A 59 17.076 -5.641 11.573 1.00 0.00 N ATOM 0 H ASN A 59 15.403 -7.860 12.198 1.00 0.00 H new ATOM 0 HA ASN A 59 17.014 -8.995 10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.658 -7.748 12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.887 -8.316 11.706 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.019 -4.723 11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.561 -5.826 12.434 1.00 0.00 H new ATOM 950 N LEU A 60 18.289 -10.916 11.354 1.00 0.00 N ATOM 951 CA LEU A 60 18.661 -12.251 11.792 1.00 0.00 C ATOM 952 C LEU A 60 19.739 -12.181 12.864 1.00 0.00 C ATOM 953 O LEU A 60 20.159 -11.088 13.264 1.00 0.00 O ATOM 954 CB LEU A 60 19.146 -13.084 10.601 1.00 0.00 C ATOM 955 CG LEU A 60 18.099 -13.321 9.508 1.00 0.00 C ATOM 956 CD1 LEU A 60 18.704 -14.093 8.348 1.00 0.00 C ATOM 957 CD2 LEU A 60 16.896 -14.065 10.070 1.00 0.00 C ATOM 0 H LEU A 60 18.938 -10.494 10.689 1.00 0.00 H new ATOM 0 HA LEU A 60 17.782 -12.732 12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.008 -12.587 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 60 19.490 -14.050 10.969 1.00 0.00 H new ATOM 0 HG LEU A 60 17.764 -12.351 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 60 17.945 -14.252 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.533 -13.525 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 60 19.068 -15.057 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.164 -14.224 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.217 -15.029 10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.445 -13.476 10.869 1.00 0.00 H new ATOM 969 N GLU A 61 20.181 -13.342 13.321 1.00 0.00 N ATOM 970 CA GLU A 61 21.180 -13.431 14.374 1.00 0.00 C ATOM 971 C GLU A 61 22.500 -12.794 13.945 1.00 0.00 C ATOM 972 O GLU A 61 22.939 -12.947 12.802 1.00 0.00 O ATOM 973 CB GLU A 61 21.403 -14.899 14.755 1.00 0.00 C ATOM 974 CG GLU A 61 22.454 -15.110 15.836 1.00 0.00 C ATOM 975 CD GLU A 61 22.094 -14.449 17.149 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.435 -13.261 17.343 1.00 0.00 O ATOM 977 OE2 GLU A 61 21.475 -15.116 18.003 1.00 0.00 O ATOM 0 H GLU A 61 19.859 -14.246 12.974 1.00 0.00 H new ATOM 0 HA GLU A 61 20.810 -12.882 15.240 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.458 -15.322 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.698 -15.453 13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.590 -16.179 15.999 1.00 0.00 H new ATOM 0 HG3 GLU A 61 23.409 -14.717 15.488 1.00 0.00 H new TER 984 GLU A 61