USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 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 68:sc= 0.258 USER MOD Set 1.2: A 31 ASN : amide:sc= -0.161 K(o=-0.45,f=-6.6!) USER MOD Set 1.3: A 38 TYR OH : rot 50:sc= -0.55 USER MOD Set 2.1: A 22 TYR OH : rot 89:sc= 1.06 USER MOD Set 2.2: A 27 GLN : amide:sc= 0.875 K(o=1.9,f=0.042) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.12 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.383 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.0189 USER MOD Single : A 35 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.34) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 56 THR OG1 : rot 29:sc= 0.358 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.421 21.350 9.268 1.00 0.00 N ATOM 2 CA MET A 1 -8.057 20.365 8.227 1.00 0.00 C ATOM 3 C MET A 1 -8.866 19.083 8.397 1.00 0.00 C ATOM 4 O MET A 1 -9.681 18.738 7.538 1.00 0.00 O ATOM 5 CB MET A 1 -6.556 20.056 8.287 1.00 0.00 C ATOM 6 CG MET A 1 -6.086 19.098 7.201 1.00 0.00 C ATOM 7 SD MET A 1 -4.316 18.765 7.288 1.00 0.00 S ATOM 8 CE MET A 1 -3.643 20.398 6.987 1.00 0.00 C ATOM 0 H1 MET A 1 -7.861 22.216 9.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.433 21.577 9.192 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.225 20.950 10.208 1.00 0.00 H new ATOM 0 HA MET A 1 -8.288 20.794 7.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.998 20.989 8.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.320 19.630 9.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.633 18.159 7.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.325 19.517 6.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.607 20.310 6.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.227 20.895 6.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.685 20.984 7.905 1.00 0.00 H new ATOM 20 N SER A 2 -8.641 18.396 9.519 1.00 0.00 N ATOM 21 CA SER A 2 -9.315 17.137 9.824 1.00 0.00 C ATOM 22 C SER A 2 -9.010 16.075 8.762 1.00 0.00 C ATOM 23 O SER A 2 -8.135 16.260 7.912 1.00 0.00 O ATOM 24 CB SER A 2 -10.829 17.363 9.958 1.00 0.00 C ATOM 25 OG SER A 2 -11.479 16.225 10.501 1.00 0.00 O ATOM 0 H SER A 2 -7.986 18.699 10.240 1.00 0.00 H new ATOM 0 HA SER A 2 -8.935 16.767 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.014 18.227 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.252 17.592 8.980 1.00 0.00 H new ATOM 0 HG SER A 2 -12.440 16.401 10.575 1.00 0.00 H new ATOM 31 N LEU A 3 -9.717 14.962 8.828 1.00 0.00 N ATOM 32 CA LEU A 3 -9.530 13.871 7.889 1.00 0.00 C ATOM 33 C LEU A 3 -10.876 13.452 7.314 1.00 0.00 C ATOM 34 O LEU A 3 -11.910 13.645 7.954 1.00 0.00 O ATOM 35 CB LEU A 3 -8.866 12.684 8.593 1.00 0.00 C ATOM 36 CG LEU A 3 -8.530 11.490 7.699 1.00 0.00 C ATOM 37 CD1 LEU A 3 -7.443 11.854 6.705 1.00 0.00 C ATOM 38 CD2 LEU A 3 -8.112 10.297 8.542 1.00 0.00 C ATOM 0 H LEU A 3 -10.435 14.789 9.532 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.884 14.204 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.947 13.032 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.525 12.343 9.392 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.424 11.217 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.219 10.991 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.784 12.678 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.544 12.155 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.876 9.456 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.232 10.558 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.927 10.021 9.211 1.00 0.00 H new ATOM 50 N ASP A 4 -10.870 12.902 6.108 1.00 0.00 N ATOM 51 CA ASP A 4 -12.095 12.405 5.496 1.00 0.00 C ATOM 52 C ASP A 4 -12.033 10.892 5.362 1.00 0.00 C ATOM 53 O ASP A 4 -11.567 10.364 4.348 1.00 0.00 O ATOM 54 CB ASP A 4 -12.337 13.043 4.131 1.00 0.00 C ATOM 55 CG ASP A 4 -13.805 13.042 3.752 1.00 0.00 C ATOM 56 OD1 ASP A 4 -14.390 11.952 3.585 1.00 0.00 O ATOM 57 OD2 ASP A 4 -14.390 14.141 3.647 1.00 0.00 O ATOM 0 H ASP A 4 -10.034 12.789 5.535 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.928 12.677 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.966 14.068 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.767 12.504 3.374 1.00 0.00 H new ATOM 62 N PRO A 5 -12.466 10.171 6.407 1.00 0.00 N ATOM 63 CA PRO A 5 -12.351 8.708 6.478 1.00 0.00 C ATOM 64 C PRO A 5 -13.065 7.981 5.337 1.00 0.00 C ATOM 65 O PRO A 5 -12.801 6.810 5.088 1.00 0.00 O ATOM 66 CB PRO A 5 -13.001 8.351 7.820 1.00 0.00 C ATOM 67 CG PRO A 5 -13.822 9.538 8.189 1.00 0.00 C ATOM 68 CD PRO A 5 -13.115 10.725 7.606 1.00 0.00 C ATOM 0 HA PRO A 5 -11.309 8.399 6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.619 7.458 7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.247 8.143 8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.833 9.452 7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.911 9.630 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -13.811 11.525 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.387 11.143 8.302 1.00 0.00 H new ATOM 76 N GLN A 6 -13.958 8.672 4.644 1.00 0.00 N ATOM 77 CA GLN A 6 -14.695 8.066 3.539 1.00 0.00 C ATOM 78 C GLN A 6 -13.769 7.797 2.350 1.00 0.00 C ATOM 79 O GLN A 6 -13.983 6.862 1.574 1.00 0.00 O ATOM 80 CB GLN A 6 -15.850 8.975 3.119 1.00 0.00 C ATOM 81 CG GLN A 6 -16.686 8.428 1.975 1.00 0.00 C ATOM 82 CD GLN A 6 -17.899 9.286 1.681 1.00 0.00 C ATOM 83 OE1 GLN A 6 -17.835 10.232 0.894 1.00 0.00 O ATOM 84 NE2 GLN A 6 -19.013 8.958 2.308 1.00 0.00 N ATOM 0 H GLN A 6 -14.191 9.649 4.824 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.100 7.112 3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.497 9.143 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.447 9.945 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.069 8.358 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.011 7.416 2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.022 8.167 2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.865 9.496 2.149 1.00 0.00 H new ATOM 93 N LEU A 7 -12.728 8.610 2.224 1.00 0.00 N ATOM 94 CA LEU A 7 -11.775 8.475 1.126 1.00 0.00 C ATOM 95 C LEU A 7 -10.586 7.604 1.530 1.00 0.00 C ATOM 96 O LEU A 7 -9.557 7.594 0.854 1.00 0.00 O ATOM 97 CB LEU A 7 -11.285 9.854 0.665 1.00 0.00 C ATOM 98 CG LEU A 7 -12.281 10.670 -0.171 1.00 0.00 C ATOM 99 CD1 LEU A 7 -13.470 11.125 0.660 1.00 0.00 C ATOM 100 CD2 LEU A 7 -11.586 11.869 -0.792 1.00 0.00 C ATOM 0 H LEU A 7 -12.520 9.372 2.869 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.289 7.988 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.016 10.437 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.374 9.719 0.082 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.658 10.023 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.153 11.699 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.990 10.254 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.121 11.748 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.303 12.440 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.179 12.502 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.776 11.527 -1.436 1.00 0.00 H new ATOM 112 N LEU A 8 -10.740 6.870 2.624 1.00 0.00 N ATOM 113 CA LEU A 8 -9.689 5.979 3.112 1.00 0.00 C ATOM 114 C LEU A 8 -10.285 4.659 3.589 1.00 0.00 C ATOM 115 O LEU A 8 -9.881 3.584 3.139 1.00 0.00 O ATOM 116 CB LEU A 8 -8.911 6.638 4.259 1.00 0.00 C ATOM 117 CG LEU A 8 -8.023 7.817 3.859 1.00 0.00 C ATOM 118 CD1 LEU A 8 -7.410 8.462 5.092 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.928 7.357 2.909 1.00 0.00 C ATOM 0 H LEU A 8 -11.586 6.873 3.194 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.004 5.782 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.624 6.981 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.288 5.881 4.734 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.641 8.556 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.781 9.299 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.203 8.822 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.806 7.728 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.304 8.207 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.315 6.601 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.379 6.932 2.012 1.00 0.00 H new ATOM 131 N GLU A 9 -11.248 4.765 4.505 1.00 0.00 N ATOM 132 CA GLU A 9 -11.937 3.616 5.086 1.00 0.00 C ATOM 133 C GLU A 9 -10.993 2.763 5.929 1.00 0.00 C ATOM 134 O GLU A 9 -9.796 3.048 6.037 1.00 0.00 O ATOM 135 CB GLU A 9 -12.606 2.767 3.999 1.00 0.00 C ATOM 136 CG GLU A 9 -13.687 3.513 3.233 1.00 0.00 C ATOM 137 CD GLU A 9 -14.380 2.645 2.210 1.00 0.00 C ATOM 138 OE1 GLU A 9 -13.909 2.585 1.054 1.00 0.00 O ATOM 139 OE2 GLU A 9 -15.397 2.010 2.557 1.00 0.00 O ATOM 0 H GLU A 9 -11.574 5.661 4.867 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.714 4.003 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.846 2.422 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.042 1.880 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.425 3.898 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.244 4.374 2.733 1.00 0.00 H new ATOM 146 N VAL A 10 -11.539 1.725 6.541 1.00 0.00 N ATOM 147 CA VAL A 10 -10.754 0.845 7.381 1.00 0.00 C ATOM 148 C VAL A 10 -10.057 -0.206 6.532 1.00 0.00 C ATOM 149 O VAL A 10 -10.662 -1.203 6.127 1.00 0.00 O ATOM 150 CB VAL A 10 -11.615 0.151 8.457 1.00 0.00 C ATOM 151 CG1 VAL A 10 -10.746 -0.681 9.391 1.00 0.00 C ATOM 152 CG2 VAL A 10 -12.421 1.175 9.243 1.00 0.00 C ATOM 0 H VAL A 10 -12.525 1.474 6.470 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.013 1.461 7.891 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.312 -0.520 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.374 -1.161 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.220 -1.444 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.020 -0.035 9.885 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.021 0.665 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.743 1.874 9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.077 1.720 8.564 1.00 0.00 H new ATOM 162 N LEU A 11 -8.796 0.048 6.228 1.00 0.00 N ATOM 163 CA LEU A 11 -7.987 -0.897 5.477 1.00 0.00 C ATOM 164 C LEU A 11 -7.490 -1.997 6.401 1.00 0.00 C ATOM 165 O LEU A 11 -6.589 -1.786 7.217 1.00 0.00 O ATOM 166 CB LEU A 11 -6.815 -0.176 4.806 1.00 0.00 C ATOM 167 CG LEU A 11 -7.210 0.933 3.829 1.00 0.00 C ATOM 168 CD1 LEU A 11 -5.974 1.626 3.280 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.055 0.369 2.696 1.00 0.00 C ATOM 0 H LEU A 11 -8.308 0.904 6.491 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.597 -1.350 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.180 0.253 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.213 -0.912 4.273 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.805 1.670 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.275 2.412 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.407 2.064 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.352 0.900 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.327 1.172 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.485 -0.389 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.960 -0.080 3.106 1.00 0.00 H new ATOM 181 N ALA A 12 -8.099 -3.164 6.286 1.00 0.00 N ATOM 182 CA ALA A 12 -7.781 -4.276 7.161 1.00 0.00 C ATOM 183 C ALA A 12 -7.182 -5.435 6.378 1.00 0.00 C ATOM 184 O ALA A 12 -7.415 -5.574 5.176 1.00 0.00 O ATOM 185 CB ALA A 12 -9.025 -4.728 7.911 1.00 0.00 C ATOM 0 H ALA A 12 -8.819 -3.365 5.592 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.038 -3.938 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.773 -5.563 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.409 -3.902 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.786 -5.043 7.197 1.00 0.00 H new ATOM 191 N CYS A 13 -6.409 -6.253 7.070 1.00 0.00 N ATOM 192 CA CYS A 13 -5.770 -7.417 6.470 1.00 0.00 C ATOM 193 C CYS A 13 -6.819 -8.422 5.989 1.00 0.00 C ATOM 194 O CYS A 13 -7.903 -8.514 6.557 1.00 0.00 O ATOM 195 CB CYS A 13 -4.843 -8.063 7.493 1.00 0.00 C ATOM 196 SG CYS A 13 -3.731 -6.892 8.298 1.00 0.00 S ATOM 0 H CYS A 13 -6.205 -6.132 8.062 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.189 -7.100 5.604 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.445 -8.561 8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.251 -8.834 6.999 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.418 -6.096 9.062 1.00 0.00 H new ATOM 202 N PRO A 14 -6.516 -9.180 4.928 1.00 0.00 N ATOM 203 CA PRO A 14 -7.457 -10.155 4.369 1.00 0.00 C ATOM 204 C PRO A 14 -7.689 -11.366 5.278 1.00 0.00 C ATOM 205 O PRO A 14 -8.748 -11.989 5.228 1.00 0.00 O ATOM 206 CB PRO A 14 -6.788 -10.590 3.063 1.00 0.00 C ATOM 207 CG PRO A 14 -5.336 -10.323 3.268 1.00 0.00 C ATOM 208 CD PRO A 14 -5.256 -9.127 4.172 1.00 0.00 C ATOM 0 HA PRO A 14 -8.447 -9.718 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.971 -11.645 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.177 -10.028 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.841 -11.184 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.838 -10.128 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.390 -9.180 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.168 -8.201 3.604 1.00 0.00 H new ATOM 216 N LYS A 15 -6.705 -11.702 6.110 1.00 0.00 N ATOM 217 CA LYS A 15 -6.807 -12.890 6.951 1.00 0.00 C ATOM 218 C LYS A 15 -7.129 -12.528 8.404 1.00 0.00 C ATOM 219 O LYS A 15 -8.241 -12.776 8.876 1.00 0.00 O ATOM 220 CB LYS A 15 -5.520 -13.721 6.861 1.00 0.00 C ATOM 221 CG LYS A 15 -5.579 -15.021 7.651 1.00 0.00 C ATOM 222 CD LYS A 15 -4.483 -15.997 7.243 1.00 0.00 C ATOM 223 CE LYS A 15 -4.634 -16.429 5.789 1.00 0.00 C ATOM 224 NZ LYS A 15 -3.725 -17.553 5.436 1.00 0.00 N ATOM 0 H LYS A 15 -5.839 -11.175 6.219 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.635 -13.494 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.317 -13.950 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.684 -13.122 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.489 -14.801 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.552 -15.489 7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.508 -15.532 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.516 -16.874 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.666 -16.728 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.429 -15.580 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.864 -17.812 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.738 -17.261 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.937 -18.373 6.039 1.00 0.00 H new ATOM 238 N ASP A 16 -6.164 -11.942 9.107 1.00 0.00 N ATOM 239 CA ASP A 16 -6.362 -11.559 10.508 1.00 0.00 C ATOM 240 C ASP A 16 -7.254 -10.328 10.613 1.00 0.00 C ATOM 241 O ASP A 16 -7.924 -10.120 11.625 1.00 0.00 O ATOM 242 CB ASP A 16 -5.016 -11.301 11.192 1.00 0.00 C ATOM 243 CG ASP A 16 -4.215 -10.204 10.526 1.00 0.00 C ATOM 244 OD1 ASP A 16 -3.486 -10.509 9.553 1.00 0.00 O ATOM 245 OD2 ASP A 16 -4.312 -9.042 10.971 1.00 0.00 O ATOM 0 H ASP A 16 -5.240 -11.721 8.735 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.857 -12.386 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.190 -11.035 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.432 -12.221 11.191 1.00 0.00 H new ATOM 250 N LYS A 17 -7.260 -9.529 9.548 1.00 0.00 N ATOM 251 CA LYS A 17 -8.108 -8.342 9.439 1.00 0.00 C ATOM 252 C LYS A 17 -7.732 -7.253 10.438 1.00 0.00 C ATOM 253 O LYS A 17 -8.577 -6.441 10.823 1.00 0.00 O ATOM 254 CB LYS A 17 -9.588 -8.703 9.587 1.00 0.00 C ATOM 255 CG LYS A 17 -10.112 -9.587 8.467 1.00 0.00 C ATOM 256 CD LYS A 17 -11.612 -9.426 8.293 1.00 0.00 C ATOM 257 CE LYS A 17 -11.967 -7.997 7.911 1.00 0.00 C ATOM 258 NZ LYS A 17 -13.432 -7.798 7.781 1.00 0.00 N ATOM 0 H LYS A 17 -6.672 -9.688 8.730 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.938 -7.939 8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.736 -9.211 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.176 -7.786 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.606 -9.335 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.879 -10.629 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.968 -10.111 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.120 -9.695 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.575 -7.313 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.483 -7.744 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.626 -6.810 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.804 -8.431 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.893 -8.013 8.688 1.00 0.00 H new ATOM 272 N GLY A 18 -6.466 -7.216 10.836 1.00 0.00 N ATOM 273 CA GLY A 18 -5.985 -6.114 11.644 1.00 0.00 C ATOM 274 C GLY A 18 -5.737 -4.881 10.795 1.00 0.00 C ATOM 275 O GLY A 18 -5.647 -4.993 9.569 1.00 0.00 O ATOM 0 H GLY A 18 -5.768 -7.926 10.615 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.714 -5.884 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.063 -6.404 12.148 1.00 0.00 H new ATOM 279 N PRO A 19 -5.636 -3.693 11.407 1.00 0.00 N ATOM 280 CA PRO A 19 -5.388 -2.447 10.678 1.00 0.00 C ATOM 281 C PRO A 19 -4.032 -2.448 9.978 1.00 0.00 C ATOM 282 O PRO A 19 -2.985 -2.562 10.623 1.00 0.00 O ATOM 283 CB PRO A 19 -5.434 -1.371 11.767 1.00 0.00 C ATOM 284 CG PRO A 19 -5.181 -2.098 13.043 1.00 0.00 C ATOM 285 CD PRO A 19 -5.760 -3.470 12.857 1.00 0.00 C ATOM 0 HA PRO A 19 -6.118 -2.289 9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.680 -0.603 11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.401 -0.869 11.785 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.114 -2.150 13.258 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.650 -1.587 13.883 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.212 -4.219 13.428 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.799 -3.517 13.184 1.00 0.00 H new ATOM 293 N LEU A 20 -4.065 -2.329 8.658 1.00 0.00 N ATOM 294 CA LEU A 20 -2.850 -2.299 7.853 1.00 0.00 C ATOM 295 C LEU A 20 -2.074 -1.011 8.087 1.00 0.00 C ATOM 296 O LEU A 20 -2.664 0.061 8.247 1.00 0.00 O ATOM 297 CB LEU A 20 -3.198 -2.424 6.369 1.00 0.00 C ATOM 298 CG LEU A 20 -3.671 -3.809 5.925 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.276 -3.743 4.530 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.505 -4.787 5.946 1.00 0.00 C ATOM 0 H LEU A 20 -4.927 -2.251 8.118 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.226 -3.141 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.977 -1.699 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.320 -2.152 5.782 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.438 -4.156 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.607 -4.737 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.128 -3.063 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.527 -3.382 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.850 -5.771 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.726 -4.439 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.103 -4.852 6.957 1.00 0.00 H new ATOM 312 N ARG A 21 -0.754 -1.116 8.111 1.00 0.00 N ATOM 313 CA ARG A 21 0.086 0.057 8.261 1.00 0.00 C ATOM 314 C ARG A 21 0.317 0.689 6.901 1.00 0.00 C ATOM 315 O ARG A 21 0.732 0.011 5.957 1.00 0.00 O ATOM 316 CB ARG A 21 1.424 -0.294 8.916 1.00 0.00 C ATOM 317 CG ARG A 21 2.318 0.917 9.120 1.00 0.00 C ATOM 318 CD ARG A 21 3.609 0.564 9.842 1.00 0.00 C ATOM 319 NE ARG A 21 4.455 1.741 10.032 1.00 0.00 N ATOM 320 CZ ARG A 21 5.481 1.805 10.884 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.811 0.749 11.623 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.177 2.931 10.991 1.00 0.00 N ATOM 0 H ARG A 21 -0.246 -1.997 8.029 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.424 0.766 8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.238 -0.768 9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.945 -1.024 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.554 1.359 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.779 1.672 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.376 0.122 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.153 -0.188 9.270 1.00 0.00 H new ATOM 0 HE ARG A 21 4.247 2.570 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.279 -0.117 11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.596 0.806 12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.927 3.741 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.962 2.986 11.640 1.00 0.00 H new ATOM 336 N TYR A 22 0.042 1.976 6.807 1.00 0.00 N ATOM 337 CA TYR A 22 0.131 2.695 5.550 1.00 0.00 C ATOM 338 C TYR A 22 1.521 3.306 5.389 1.00 0.00 C ATOM 339 O TYR A 22 1.990 4.036 6.265 1.00 0.00 O ATOM 340 CB TYR A 22 -0.944 3.787 5.520 1.00 0.00 C ATOM 341 CG TYR A 22 -1.164 4.434 4.171 1.00 0.00 C ATOM 342 CD1 TYR A 22 -0.272 5.374 3.670 1.00 0.00 C ATOM 343 CD2 TYR A 22 -2.284 4.123 3.412 1.00 0.00 C ATOM 344 CE1 TYR A 22 -0.490 5.982 2.451 1.00 0.00 C ATOM 345 CE2 TYR A 22 -2.511 4.734 2.194 1.00 0.00 C ATOM 346 CZ TYR A 22 -1.610 5.663 1.720 1.00 0.00 C ATOM 347 OH TYR A 22 -1.838 6.288 0.515 1.00 0.00 O ATOM 0 H TYR A 22 -0.249 2.551 7.597 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.034 2.006 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.887 3.356 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.673 4.562 6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.606 5.633 4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.989 3.392 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.216 6.706 2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.389 4.485 1.617 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.407 5.780 -0.204 1.00 0.00 H new ATOM 357 N LEU A 23 2.185 2.983 4.291 1.00 0.00 N ATOM 358 CA LEU A 23 3.483 3.564 3.986 1.00 0.00 C ATOM 359 C LEU A 23 3.361 4.555 2.838 1.00 0.00 C ATOM 360 O LEU A 23 3.063 4.168 1.702 1.00 0.00 O ATOM 361 CB LEU A 23 4.505 2.478 3.631 1.00 0.00 C ATOM 362 CG LEU A 23 5.154 1.751 4.817 1.00 0.00 C ATOM 363 CD1 LEU A 23 4.135 0.919 5.582 1.00 0.00 C ATOM 364 CD2 LEU A 23 6.299 0.872 4.340 1.00 0.00 C ATOM 0 H LEU A 23 1.846 2.320 3.594 1.00 0.00 H new ATOM 0 HA LEU A 23 3.834 4.087 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.014 1.737 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.295 2.932 3.032 1.00 0.00 H new ATOM 0 HG LEU A 23 5.548 2.508 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.627 0.417 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.347 1.569 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.700 0.174 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.748 0.364 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.920 0.132 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.051 1.489 3.849 1.00 0.00 H new ATOM 376 N GLU A 24 3.596 5.830 3.138 1.00 0.00 N ATOM 377 CA GLU A 24 3.496 6.899 2.141 1.00 0.00 C ATOM 378 C GLU A 24 4.507 6.700 1.015 1.00 0.00 C ATOM 379 O GLU A 24 4.258 7.087 -0.127 1.00 0.00 O ATOM 380 CB GLU A 24 3.761 8.262 2.788 1.00 0.00 C ATOM 381 CG GLU A 24 2.860 8.600 3.963 1.00 0.00 C ATOM 382 CD GLU A 24 1.413 8.776 3.568 1.00 0.00 C ATOM 383 OE1 GLU A 24 1.142 9.467 2.562 1.00 0.00 O ATOM 384 OE2 GLU A 24 0.537 8.250 4.282 1.00 0.00 O ATOM 0 H GLU A 24 3.859 6.152 4.069 1.00 0.00 H new ATOM 0 HA GLU A 24 2.486 6.866 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.798 8.293 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.649 9.036 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.933 7.809 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.216 9.516 4.434 1.00 0.00 H new ATOM 391 N SER A 25 5.641 6.093 1.362 1.00 0.00 N ATOM 392 CA SER A 25 6.783 5.956 0.462 1.00 0.00 C ATOM 393 C SER A 25 6.378 5.410 -0.909 1.00 0.00 C ATOM 394 O SER A 25 6.391 6.139 -1.901 1.00 0.00 O ATOM 395 CB SER A 25 7.831 5.049 1.112 1.00 0.00 C ATOM 396 OG SER A 25 8.074 5.445 2.457 1.00 0.00 O ATOM 0 H SER A 25 5.793 5.680 2.282 1.00 0.00 H new ATOM 0 HA SER A 25 7.203 6.948 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.489 4.014 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.759 5.091 0.542 1.00 0.00 H new ATOM 0 HG SER A 25 8.745 4.853 2.856 1.00 0.00 H new ATOM 402 N GLU A 26 5.999 4.142 -0.968 1.00 0.00 N ATOM 403 CA GLU A 26 5.689 3.514 -2.246 1.00 0.00 C ATOM 404 C GLU A 26 4.218 3.123 -2.332 1.00 0.00 C ATOM 405 O GLU A 26 3.843 2.300 -3.167 1.00 0.00 O ATOM 406 CB GLU A 26 6.572 2.282 -2.456 1.00 0.00 C ATOM 407 CG GLU A 26 8.058 2.579 -2.365 1.00 0.00 C ATOM 408 CD GLU A 26 8.916 1.392 -2.751 1.00 0.00 C ATOM 409 OE1 GLU A 26 9.075 0.471 -1.928 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.449 1.385 -3.882 1.00 0.00 O ATOM 0 H GLU A 26 5.899 3.532 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 26 5.891 4.240 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.314 1.529 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.355 1.852 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.296 3.421 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.302 2.883 -1.347 1.00 0.00 H new ATOM 417 N GLN A 27 3.389 3.733 -1.482 1.00 0.00 N ATOM 418 CA GLN A 27 1.958 3.421 -1.446 1.00 0.00 C ATOM 419 C GLN A 27 1.748 1.934 -1.169 1.00 0.00 C ATOM 420 O GLN A 27 1.249 1.196 -2.017 1.00 0.00 O ATOM 421 CB GLN A 27 1.283 3.813 -2.770 1.00 0.00 C ATOM 422 CG GLN A 27 1.233 5.315 -3.016 1.00 0.00 C ATOM 423 CD GLN A 27 0.159 6.008 -2.198 1.00 0.00 C ATOM 424 OE1 GLN A 27 -0.891 5.432 -1.921 1.00 0.00 O ATOM 425 NE2 GLN A 27 0.415 7.246 -1.802 1.00 0.00 N ATOM 0 H GLN A 27 3.682 4.443 -0.811 1.00 0.00 H new ATOM 0 HA GLN A 27 1.501 3.998 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.816 3.337 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.267 3.419 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.203 5.750 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.053 5.500 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.299 7.689 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.272 7.756 -1.246 1.00 0.00 H new ATOM 434 N LEU A 28 2.145 1.502 0.020 1.00 0.00 N ATOM 435 CA LEU A 28 2.088 0.091 0.375 1.00 0.00 C ATOM 436 C LEU A 28 1.365 -0.115 1.699 1.00 0.00 C ATOM 437 O LEU A 28 1.438 0.730 2.595 1.00 0.00 O ATOM 438 CB LEU A 28 3.501 -0.497 0.471 1.00 0.00 C ATOM 439 CG LEU A 28 4.284 -0.554 -0.843 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.695 -1.066 -0.602 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.568 -1.433 -1.857 1.00 0.00 C ATOM 0 H LEU A 28 2.510 2.108 0.755 1.00 0.00 H new ATOM 0 HA LEU A 28 1.534 -0.423 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.072 0.092 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.428 -1.507 0.874 1.00 0.00 H new ATOM 0 HG LEU A 28 4.346 0.457 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.236 -1.100 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.211 -0.399 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.651 -2.067 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.141 -1.460 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.473 -2.443 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.576 -1.026 -2.055 1.00 0.00 H new ATOM 453 N LEU A 29 0.667 -1.236 1.803 1.00 0.00 N ATOM 454 CA LEU A 29 0.005 -1.630 3.037 1.00 0.00 C ATOM 455 C LEU A 29 0.690 -2.867 3.602 1.00 0.00 C ATOM 456 O LEU A 29 0.690 -3.922 2.971 1.00 0.00 O ATOM 457 CB LEU A 29 -1.476 -1.919 2.777 1.00 0.00 C ATOM 458 CG LEU A 29 -2.278 -0.748 2.202 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.697 -1.190 1.866 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.299 0.411 3.184 1.00 0.00 C ATOM 0 H LEU A 29 0.544 -1.897 1.036 1.00 0.00 H new ATOM 0 HA LEU A 29 0.074 -0.816 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.550 -2.761 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.939 -2.230 3.713 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.795 -0.414 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.254 -0.346 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.663 -1.993 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.190 -1.548 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.873 1.236 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.761 0.089 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.279 0.741 3.379 1.00 0.00 H new ATOM 472 N VAL A 30 1.271 -2.747 4.783 1.00 0.00 N ATOM 473 CA VAL A 30 2.072 -3.829 5.339 1.00 0.00 C ATOM 474 C VAL A 30 1.366 -4.474 6.523 1.00 0.00 C ATOM 475 O VAL A 30 0.857 -3.784 7.409 1.00 0.00 O ATOM 476 CB VAL A 30 3.464 -3.324 5.779 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.324 -4.477 6.283 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.153 -2.601 4.631 1.00 0.00 C ATOM 0 H VAL A 30 1.205 -1.918 5.374 1.00 0.00 H new ATOM 0 HA VAL A 30 2.202 -4.574 4.554 1.00 0.00 H new ATOM 0 HB VAL A 30 3.330 -2.619 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.299 -4.097 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.836 -4.949 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.452 -5.210 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.133 -2.251 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.273 -3.284 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.548 -1.749 4.322 1.00 0.00 H new ATOM 488 N ASN A 31 1.326 -5.802 6.516 1.00 0.00 N ATOM 489 CA ASN A 31 0.684 -6.558 7.581 1.00 0.00 C ATOM 490 C ASN A 31 1.719 -7.241 8.464 1.00 0.00 C ATOM 491 O ASN A 31 2.525 -8.052 7.998 1.00 0.00 O ATOM 492 CB ASN A 31 -0.292 -7.593 7.007 1.00 0.00 C ATOM 493 CG ASN A 31 -0.918 -8.474 8.078 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.919 -8.136 9.262 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.485 -9.596 7.667 1.00 0.00 N ATOM 0 H ASN A 31 1.733 -6.378 5.780 1.00 0.00 H new ATOM 0 HA ASN A 31 0.119 -5.855 8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.082 -7.077 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.234 -8.221 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.942 -10.212 8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.465 -9.845 6.678 1.00 0.00 H new ATOM 502 N GLU A 32 1.660 -6.919 9.747 1.00 0.00 N ATOM 503 CA GLU A 32 2.580 -7.454 10.742 1.00 0.00 C ATOM 504 C GLU A 32 2.452 -8.973 10.859 1.00 0.00 C ATOM 505 O GLU A 32 3.449 -9.684 10.934 1.00 0.00 O ATOM 506 CB GLU A 32 2.280 -6.810 12.097 1.00 0.00 C ATOM 507 CG GLU A 32 3.159 -7.303 13.238 1.00 0.00 C ATOM 508 CD GLU A 32 2.603 -6.922 14.592 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.924 -5.823 15.089 1.00 0.00 O ATOM 510 OE2 GLU A 32 1.831 -7.718 15.161 1.00 0.00 O ATOM 0 H GLU A 32 0.968 -6.275 10.131 1.00 0.00 H new ATOM 0 HA GLU A 32 3.599 -7.224 10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.397 -5.730 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.237 -6.998 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.255 -8.387 13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.161 -6.888 13.128 1.00 0.00 H new ATOM 517 N ARG A 33 1.217 -9.458 10.831 1.00 0.00 N ATOM 518 CA ARG A 33 0.929 -10.849 11.172 1.00 0.00 C ATOM 519 C ARG A 33 1.393 -11.826 10.093 1.00 0.00 C ATOM 520 O ARG A 33 1.534 -13.021 10.355 1.00 0.00 O ATOM 521 CB ARG A 33 -0.569 -11.043 11.432 1.00 0.00 C ATOM 522 CG ARG A 33 -1.078 -10.357 12.693 1.00 0.00 C ATOM 523 CD ARG A 33 -1.268 -8.862 12.498 1.00 0.00 C ATOM 524 NE ARG A 33 -1.531 -8.181 13.764 1.00 0.00 N ATOM 525 CZ ARG A 33 -2.726 -7.734 14.139 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.785 -7.899 13.358 1.00 0.00 N ATOM 527 NH2 ARG A 33 -2.860 -7.116 15.305 1.00 0.00 N ATOM 0 H ARG A 33 0.396 -8.909 10.575 1.00 0.00 H new ATOM 0 HA ARG A 33 1.491 -11.068 12.080 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.127 -10.664 10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.779 -12.110 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.026 -10.806 12.991 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.374 -10.529 13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.376 -8.439 12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.096 -8.687 11.812 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.747 -8.039 14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.688 -8.373 12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.697 -7.552 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.049 -6.986 15.909 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.774 -6.771 15.597 1.00 0.00 H new ATOM 541 N LEU A 34 1.631 -11.329 8.888 1.00 0.00 N ATOM 542 CA LEU A 34 2.017 -12.201 7.785 1.00 0.00 C ATOM 543 C LEU A 34 3.370 -11.811 7.196 1.00 0.00 C ATOM 544 O LEU A 34 3.887 -12.508 6.322 1.00 0.00 O ATOM 545 CB LEU A 34 0.941 -12.191 6.693 1.00 0.00 C ATOM 546 CG LEU A 34 -0.394 -12.831 7.089 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.387 -12.737 5.942 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.188 -14.285 7.493 1.00 0.00 C ATOM 0 H LEU A 34 1.565 -10.340 8.649 1.00 0.00 H new ATOM 0 HA LEU A 34 2.111 -13.210 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.757 -11.159 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.330 -12.711 5.817 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.798 -12.288 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.330 -13.196 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.556 -11.690 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.988 -13.258 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.146 -14.725 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.236 -14.839 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.494 -14.334 8.342 1.00 0.00 H new ATOM 560 N ASN A 35 3.940 -10.701 7.676 1.00 0.00 N ATOM 561 CA ASN A 35 5.233 -10.207 7.179 1.00 0.00 C ATOM 562 C ASN A 35 5.146 -9.909 5.676 1.00 0.00 C ATOM 563 O ASN A 35 6.139 -9.952 4.950 1.00 0.00 O ATOM 564 CB ASN A 35 6.343 -11.235 7.466 1.00 0.00 C ATOM 565 CG ASN A 35 7.745 -10.691 7.235 1.00 0.00 C ATOM 566 OD1 ASN A 35 8.645 -11.421 6.818 1.00 0.00 O ATOM 567 ND2 ASN A 35 7.947 -9.419 7.534 1.00 0.00 N ATOM 0 H ASN A 35 3.527 -10.125 8.410 1.00 0.00 H new ATOM 0 HA ASN A 35 5.479 -9.281 7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.258 -11.572 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.191 -12.109 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.875 -9.010 7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.175 -8.847 7.877 1.00 0.00 H new ATOM 574 N LEU A 36 3.946 -9.583 5.222 1.00 0.00 N ATOM 575 CA LEU A 36 3.705 -9.355 3.807 1.00 0.00 C ATOM 576 C LEU A 36 3.223 -7.934 3.566 1.00 0.00 C ATOM 577 O LEU A 36 2.676 -7.291 4.468 1.00 0.00 O ATOM 578 CB LEU A 36 2.665 -10.343 3.273 1.00 0.00 C ATOM 579 CG LEU A 36 3.061 -11.823 3.344 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.928 -12.706 2.846 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.326 -12.078 2.537 1.00 0.00 C ATOM 0 H LEU A 36 3.123 -9.470 5.814 1.00 0.00 H new ATOM 0 HA LEU A 36 4.647 -9.505 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.739 -10.206 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.451 -10.092 2.234 1.00 0.00 H new ATOM 0 HG LEU A 36 3.260 -12.073 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.229 -13.752 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.045 -12.548 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.697 -12.452 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.591 -13.133 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.153 -11.808 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.141 -11.475 2.938 1.00 0.00 H new ATOM 593 N ALA A 37 3.411 -7.458 2.349 1.00 0.00 N ATOM 594 CA ALA A 37 2.941 -6.141 1.964 1.00 0.00 C ATOM 595 C ALA A 37 1.983 -6.249 0.792 1.00 0.00 C ATOM 596 O ALA A 37 2.265 -6.928 -0.200 1.00 0.00 O ATOM 597 CB ALA A 37 4.105 -5.235 1.605 1.00 0.00 C ATOM 0 H ALA A 37 3.889 -7.968 1.606 1.00 0.00 H new ATOM 0 HA ALA A 37 2.416 -5.704 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.727 -4.253 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.766 -5.133 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.659 -5.667 0.771 1.00 0.00 H new ATOM 603 N TYR A 38 0.851 -5.583 0.915 1.00 0.00 N ATOM 604 CA TYR A 38 -0.174 -5.628 -0.104 1.00 0.00 C ATOM 605 C TYR A 38 -0.032 -4.425 -1.017 1.00 0.00 C ATOM 606 O TYR A 38 0.191 -3.301 -0.560 1.00 0.00 O ATOM 607 CB TYR A 38 -1.558 -5.684 0.545 1.00 0.00 C ATOM 608 CG TYR A 38 -1.701 -6.860 1.483 1.00 0.00 C ATOM 609 CD1 TYR A 38 -2.026 -8.121 0.999 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.487 -6.714 2.849 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.131 -9.204 1.852 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.586 -7.791 3.704 1.00 0.00 C ATOM 613 CZ TYR A 38 -1.910 -9.031 3.203 1.00 0.00 C ATOM 614 OH TYR A 38 -2.003 -10.107 4.056 1.00 0.00 O ATOM 0 H TYR A 38 0.619 -5.000 1.719 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.057 -6.529 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.738 -4.760 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.320 -5.747 -0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.199 -8.257 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.239 -5.741 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.384 -10.179 1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.410 -7.662 4.762 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.471 -10.851 3.704 1.00 0.00 H new ATOM 624 N ARG A 39 -0.150 -4.678 -2.307 1.00 0.00 N ATOM 625 CA ARG A 39 0.207 -3.699 -3.316 1.00 0.00 C ATOM 626 C ARG A 39 -0.988 -2.838 -3.689 1.00 0.00 C ATOM 627 O ARG A 39 -2.107 -3.331 -3.797 1.00 0.00 O ATOM 628 CB ARG A 39 0.740 -4.427 -4.551 1.00 0.00 C ATOM 629 CG ARG A 39 1.823 -5.446 -4.227 1.00 0.00 C ATOM 630 CD ARG A 39 2.145 -6.332 -5.421 1.00 0.00 C ATOM 631 NE ARG A 39 2.746 -5.586 -6.522 1.00 0.00 N ATOM 632 CZ ARG A 39 3.137 -6.131 -7.674 1.00 0.00 C ATOM 633 NH1 ARG A 39 2.964 -7.432 -7.899 1.00 0.00 N ATOM 634 NH2 ARG A 39 3.693 -5.367 -8.605 1.00 0.00 N ATOM 0 H ARG A 39 -0.494 -5.562 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 39 0.977 -3.041 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.086 -4.932 -5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.138 -3.694 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.726 -4.926 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.499 -6.067 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.825 -7.124 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.232 -6.814 -5.769 1.00 0.00 H new ATOM 0 HE ARG A 39 2.875 -4.581 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.529 -8.019 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.266 -7.841 -8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.819 -4.369 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.994 -5.778 -9.489 1.00 0.00 H new ATOM 648 N ILE A 40 -0.749 -1.557 -3.878 1.00 0.00 N ATOM 649 CA ILE A 40 -1.787 -0.650 -4.338 1.00 0.00 C ATOM 650 C ILE A 40 -1.490 -0.256 -5.774 1.00 0.00 C ATOM 651 O ILE A 40 -0.519 0.451 -6.044 1.00 0.00 O ATOM 652 CB ILE A 40 -1.873 0.620 -3.460 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.115 0.237 -1.995 1.00 0.00 C ATOM 654 CG2 ILE A 40 -2.978 1.540 -3.959 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.117 1.415 -1.044 1.00 0.00 C ATOM 0 H ILE A 40 0.157 -1.116 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.746 -1.163 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.925 1.154 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.071 -0.281 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.345 -0.468 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.024 2.428 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.769 1.835 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.933 1.017 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.294 1.062 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.153 1.921 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.906 2.111 -1.329 1.00 0.00 H new ATOM 667 N ASP A 41 -2.322 -0.714 -6.692 1.00 0.00 N ATOM 668 CA ASP A 41 -2.070 -0.500 -8.107 1.00 0.00 C ATOM 669 C ASP A 41 -3.017 0.552 -8.659 1.00 0.00 C ATOM 670 O ASP A 41 -4.168 0.261 -8.981 1.00 0.00 O ATOM 671 CB ASP A 41 -2.206 -1.818 -8.877 1.00 0.00 C ATOM 672 CG ASP A 41 -1.650 -1.733 -10.286 1.00 0.00 C ATOM 673 OD1 ASP A 41 -0.445 -1.433 -10.435 1.00 0.00 O ATOM 674 OD2 ASP A 41 -2.405 -1.983 -11.248 1.00 0.00 O ATOM 0 H ASP A 41 -3.175 -1.234 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.050 -0.137 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.687 -2.607 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.258 -2.101 -8.922 1.00 0.00 H new ATOM 679 N ASP A 42 -2.522 1.784 -8.710 1.00 0.00 N ATOM 680 CA ASP A 42 -3.282 2.934 -9.199 1.00 0.00 C ATOM 681 C ASP A 42 -4.634 3.067 -8.496 1.00 0.00 C ATOM 682 O ASP A 42 -5.690 2.868 -9.099 1.00 0.00 O ATOM 683 CB ASP A 42 -3.467 2.866 -10.720 1.00 0.00 C ATOM 684 CG ASP A 42 -4.063 4.139 -11.281 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.585 5.233 -10.916 1.00 0.00 O ATOM 686 OD2 ASP A 42 -5.000 4.051 -12.103 1.00 0.00 O ATOM 0 H ASP A 42 -1.575 2.017 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.701 3.825 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.503 2.679 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.113 2.024 -10.968 1.00 0.00 H new ATOM 691 N GLY A 43 -4.593 3.377 -7.208 1.00 0.00 N ATOM 692 CA GLY A 43 -5.812 3.638 -6.463 1.00 0.00 C ATOM 693 C GLY A 43 -6.516 2.379 -5.986 1.00 0.00 C ATOM 694 O GLY A 43 -7.412 2.448 -5.145 1.00 0.00 O ATOM 0 H GLY A 43 -3.735 3.453 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.574 4.260 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.495 4.211 -7.090 1.00 0.00 H new ATOM 698 N ILE A 44 -6.115 1.231 -6.512 1.00 0.00 N ATOM 699 CA ILE A 44 -6.749 -0.030 -6.156 1.00 0.00 C ATOM 700 C ILE A 44 -5.822 -0.867 -5.279 1.00 0.00 C ATOM 701 O ILE A 44 -4.809 -1.380 -5.751 1.00 0.00 O ATOM 702 CB ILE A 44 -7.134 -0.843 -7.412 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.053 -0.017 -8.317 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.811 -2.150 -7.011 1.00 0.00 C ATOM 705 CD1 ILE A 44 -8.399 -0.702 -9.623 1.00 0.00 C ATOM 0 H ILE A 44 -5.354 1.147 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.658 0.209 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.226 -1.082 -7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.974 0.205 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.573 0.937 -8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.076 -2.712 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.128 -2.741 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.713 -1.932 -6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.052 -0.057 -10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.485 -0.900 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.909 -1.643 -9.416 1.00 0.00 H new ATOM 717 N PRO A 45 -6.140 -0.983 -3.981 1.00 0.00 N ATOM 718 CA PRO A 45 -5.374 -1.796 -3.041 1.00 0.00 C ATOM 719 C PRO A 45 -5.662 -3.282 -3.221 1.00 0.00 C ATOM 720 O PRO A 45 -6.765 -3.754 -2.934 1.00 0.00 O ATOM 721 CB PRO A 45 -5.849 -1.316 -1.656 1.00 0.00 C ATOM 722 CG PRO A 45 -6.769 -0.164 -1.912 1.00 0.00 C ATOM 723 CD PRO A 45 -7.269 -0.326 -3.319 1.00 0.00 C ATOM 0 HA PRO A 45 -4.299 -1.684 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.363 -2.115 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.005 -1.011 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.597 -0.163 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.246 0.785 -1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.174 -0.933 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.507 0.633 -3.778 1.00 0.00 H new ATOM 731 N VAL A 46 -4.672 -4.014 -3.706 1.00 0.00 N ATOM 732 CA VAL A 46 -4.811 -5.441 -3.938 1.00 0.00 C ATOM 733 C VAL A 46 -4.496 -6.207 -2.659 1.00 0.00 C ATOM 734 O VAL A 46 -3.330 -6.441 -2.331 1.00 0.00 O ATOM 735 CB VAL A 46 -3.882 -5.923 -5.075 1.00 0.00 C ATOM 736 CG1 VAL A 46 -4.147 -7.382 -5.410 1.00 0.00 C ATOM 737 CG2 VAL A 46 -4.045 -5.046 -6.310 1.00 0.00 C ATOM 0 H VAL A 46 -3.755 -3.638 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.841 -5.632 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.851 -5.839 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.481 -7.698 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.968 -7.996 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.182 -7.500 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.382 -5.402 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.078 -5.092 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.791 -4.016 -6.061 1.00 0.00 H new ATOM 747 N LEU A 47 -5.537 -6.583 -1.934 1.00 0.00 N ATOM 748 CA LEU A 47 -5.381 -7.271 -0.659 1.00 0.00 C ATOM 749 C LEU A 47 -5.365 -8.781 -0.858 1.00 0.00 C ATOM 750 O LEU A 47 -5.980 -9.531 -0.099 1.00 0.00 O ATOM 751 CB LEU A 47 -6.512 -6.877 0.296 1.00 0.00 C ATOM 752 CG LEU A 47 -6.613 -5.381 0.608 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.763 -5.109 1.565 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.305 -4.865 1.184 1.00 0.00 C ATOM 0 H LEU A 47 -6.506 -6.423 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.428 -6.972 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.459 -7.207 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.380 -7.419 1.233 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.810 -4.850 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.818 -4.041 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.698 -5.439 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.598 -5.653 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.397 -3.800 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.075 -5.402 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.503 -5.021 0.463 1.00 0.00 H new ATOM 766 N LEU A 48 -4.645 -9.217 -1.875 1.00 0.00 N ATOM 767 CA LEU A 48 -4.500 -10.635 -2.160 1.00 0.00 C ATOM 768 C LEU A 48 -3.191 -11.151 -1.585 1.00 0.00 C ATOM 769 O LEU A 48 -2.122 -10.627 -1.886 1.00 0.00 O ATOM 770 CB LEU A 48 -4.561 -10.895 -3.670 1.00 0.00 C ATOM 771 CG LEU A 48 -5.890 -10.534 -4.340 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.824 -10.807 -5.836 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.038 -11.309 -3.709 1.00 0.00 C ATOM 0 H LEU A 48 -4.148 -8.606 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.326 -11.169 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.764 -10.330 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.357 -11.951 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.071 -9.470 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.777 -10.545 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.029 -10.208 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.619 -11.864 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.973 -11.038 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.863 -12.378 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.101 -11.066 -2.648 1.00 0.00 H new ATOM 785 N ILE A 49 -3.286 -12.177 -0.753 1.00 0.00 N ATOM 786 CA ILE A 49 -2.118 -12.738 -0.082 1.00 0.00 C ATOM 787 C ILE A 49 -1.134 -13.327 -1.095 1.00 0.00 C ATOM 788 O ILE A 49 0.079 -13.300 -0.887 1.00 0.00 O ATOM 789 CB ILE A 49 -2.536 -13.823 0.937 1.00 0.00 C ATOM 790 CG1 ILE A 49 -3.522 -13.235 1.950 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.323 -14.403 1.647 1.00 0.00 C ATOM 792 CD1 ILE A 49 -4.041 -14.233 2.959 1.00 0.00 C ATOM 0 H ILE A 49 -4.164 -12.642 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.624 -11.927 0.453 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.024 -14.634 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.035 -12.417 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.367 -12.807 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.647 -15.163 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.653 -14.853 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.799 -13.609 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.733 -13.736 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.559 -15.040 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.206 -14.644 3.527 1.00 0.00 H new ATOM 804 N ASP A 50 -1.664 -13.836 -2.197 1.00 0.00 N ATOM 805 CA ASP A 50 -0.836 -14.428 -3.244 1.00 0.00 C ATOM 806 C ASP A 50 -0.086 -13.349 -4.025 1.00 0.00 C ATOM 807 O ASP A 50 0.994 -13.593 -4.566 1.00 0.00 O ATOM 808 CB ASP A 50 -1.699 -15.268 -4.185 1.00 0.00 C ATOM 809 CG ASP A 50 -2.390 -16.406 -3.460 1.00 0.00 C ATOM 810 OD1 ASP A 50 -3.498 -16.188 -2.920 1.00 0.00 O ATOM 811 OD2 ASP A 50 -1.828 -17.519 -3.411 1.00 0.00 O ATOM 0 H ASP A 50 -2.665 -13.852 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.097 -15.075 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.448 -14.631 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.077 -15.672 -4.984 1.00 0.00 H new ATOM 816 N GLU A 51 -0.652 -12.148 -4.059 1.00 0.00 N ATOM 817 CA GLU A 51 -0.030 -11.025 -4.752 1.00 0.00 C ATOM 818 C GLU A 51 0.860 -10.241 -3.791 1.00 0.00 C ATOM 819 O GLU A 51 1.644 -9.382 -4.199 1.00 0.00 O ATOM 820 CB GLU A 51 -1.103 -10.104 -5.343 1.00 0.00 C ATOM 821 CG GLU A 51 -0.552 -9.020 -6.260 1.00 0.00 C ATOM 822 CD GLU A 51 0.049 -9.586 -7.532 1.00 0.00 C ATOM 823 OE1 GLU A 51 1.235 -9.990 -7.519 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.666 -9.637 -8.551 1.00 0.00 O ATOM 0 H GLU A 51 -1.543 -11.926 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 51 0.584 -11.414 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.819 -10.708 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.651 -9.632 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.352 -8.325 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.207 -8.448 -5.726 1.00 0.00 H new ATOM 831 N ALA A 52 0.733 -10.546 -2.509 1.00 0.00 N ATOM 832 CA ALA A 52 1.527 -9.889 -1.487 1.00 0.00 C ATOM 833 C ALA A 52 2.946 -10.427 -1.493 1.00 0.00 C ATOM 834 O ALA A 52 3.166 -11.632 -1.640 1.00 0.00 O ATOM 835 CB ALA A 52 0.897 -10.078 -0.117 1.00 0.00 C ATOM 0 H ALA A 52 0.084 -11.248 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 52 1.557 -8.822 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.507 -9.578 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.105 -9.649 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.837 -11.142 0.112 1.00 0.00 H new ATOM 841 N THR A 53 3.904 -9.535 -1.343 1.00 0.00 N ATOM 842 CA THR A 53 5.302 -9.920 -1.306 1.00 0.00 C ATOM 843 C THR A 53 5.857 -9.739 0.097 1.00 0.00 C ATOM 844 O THR A 53 5.272 -9.026 0.918 1.00 0.00 O ATOM 845 CB THR A 53 6.142 -9.108 -2.319 1.00 0.00 C ATOM 846 OG1 THR A 53 7.521 -9.495 -2.259 1.00 0.00 O ATOM 847 CG2 THR A 53 6.020 -7.611 -2.073 1.00 0.00 C ATOM 0 H THR A 53 3.740 -8.533 -1.244 1.00 0.00 H new ATOM 0 HA THR A 53 5.366 -10.971 -1.586 1.00 0.00 H new ATOM 0 HB THR A 53 5.750 -9.326 -3.312 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.036 -8.972 -2.908 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.623 -7.072 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.977 -7.310 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.372 -7.377 -1.068 1.00 0.00 H new ATOM 855 N GLU A 54 6.973 -10.396 0.368 1.00 0.00 N ATOM 856 CA GLU A 54 7.607 -10.315 1.676 1.00 0.00 C ATOM 857 C GLU A 54 8.218 -8.933 1.868 1.00 0.00 C ATOM 858 O GLU A 54 9.026 -8.481 1.052 1.00 0.00 O ATOM 859 CB GLU A 54 8.688 -11.391 1.837 1.00 0.00 C ATOM 860 CG GLU A 54 8.160 -12.821 1.846 1.00 0.00 C ATOM 861 CD GLU A 54 7.692 -13.293 0.487 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.499 -13.260 -0.467 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.522 -13.713 0.365 1.00 0.00 O ATOM 0 H GLU A 54 7.460 -10.993 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 54 6.844 -10.486 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.409 -11.288 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.227 -11.210 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.944 -13.488 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.333 -12.891 2.552 1.00 0.00 H new ATOM 870 N TRP A 55 7.832 -8.269 2.943 1.00 0.00 N ATOM 871 CA TRP A 55 8.278 -6.913 3.200 1.00 0.00 C ATOM 872 C TRP A 55 8.560 -6.735 4.684 1.00 0.00 C ATOM 873 O TRP A 55 7.938 -7.391 5.514 1.00 0.00 O ATOM 874 CB TRP A 55 7.212 -5.918 2.732 1.00 0.00 C ATOM 875 CG TRP A 55 7.672 -4.493 2.716 1.00 0.00 C ATOM 876 CD1 TRP A 55 7.425 -3.539 3.657 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.450 -3.861 1.698 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.011 -2.353 3.290 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.647 -2.524 2.091 1.00 0.00 C ATOM 880 CE3 TRP A 55 9.009 -4.298 0.495 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.373 -1.621 1.322 1.00 0.00 C ATOM 882 CZ3 TRP A 55 9.730 -3.400 -0.268 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.908 -2.074 0.149 1.00 0.00 C ATOM 0 H TRP A 55 7.208 -8.650 3.654 1.00 0.00 H new ATOM 0 HA TRP A 55 9.198 -6.724 2.646 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.887 -6.195 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.342 -6.001 3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.852 -3.693 4.559 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.978 -1.485 3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.880 -5.319 0.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.509 -0.598 1.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 10.164 -3.725 -1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 55 10.479 -1.397 -0.469 1.00 0.00 H new ATOM 894 N THR A 56 9.492 -5.843 4.994 1.00 0.00 N ATOM 895 CA THR A 56 9.923 -5.590 6.360 1.00 0.00 C ATOM 896 C THR A 56 10.768 -6.751 6.886 1.00 0.00 C ATOM 897 O THR A 56 10.251 -7.710 7.466 1.00 0.00 O ATOM 898 CB THR A 56 8.729 -5.331 7.294 1.00 0.00 C ATOM 899 OG1 THR A 56 7.926 -4.263 6.775 1.00 0.00 O ATOM 900 CG2 THR A 56 9.190 -4.986 8.703 1.00 0.00 C ATOM 0 H THR A 56 9.972 -5.272 4.299 1.00 0.00 H new ATOM 0 HA THR A 56 10.536 -4.689 6.346 1.00 0.00 H new ATOM 0 HB THR A 56 8.138 -6.246 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.006 -4.238 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.321 -4.809 9.337 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.772 -5.814 9.108 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.807 -4.088 8.674 1.00 0.00 H new ATOM 908 N PRO A 57 12.086 -6.692 6.649 1.00 0.00 N ATOM 909 CA PRO A 57 13.023 -7.702 7.119 1.00 0.00 C ATOM 910 C PRO A 57 13.368 -7.502 8.589 1.00 0.00 C ATOM 911 O PRO A 57 13.317 -6.382 9.101 1.00 0.00 O ATOM 912 CB PRO A 57 14.270 -7.491 6.243 1.00 0.00 C ATOM 913 CG PRO A 57 13.931 -6.384 5.293 1.00 0.00 C ATOM 914 CD PRO A 57 12.777 -5.642 5.899 1.00 0.00 C ATOM 0 HA PRO A 57 12.612 -8.708 7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.135 -7.229 6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.525 -8.403 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.785 -5.722 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.666 -6.781 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.111 -4.832 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.136 -5.197 5.138 1.00 0.00 H new ATOM 922 N ASN A 58 13.710 -8.583 9.263 1.00 0.00 N ATOM 923 CA ASN A 58 14.084 -8.518 10.666 1.00 0.00 C ATOM 924 C ASN A 58 15.592 -8.383 10.805 1.00 0.00 C ATOM 925 O ASN A 58 16.341 -9.203 10.274 1.00 0.00 O ATOM 926 CB ASN A 58 13.609 -9.772 11.409 1.00 0.00 C ATOM 927 CG ASN A 58 13.984 -9.749 12.881 1.00 0.00 C ATOM 928 OD1 ASN A 58 14.010 -8.694 13.512 1.00 0.00 O ATOM 929 ND2 ASN A 58 14.284 -10.915 13.438 1.00 0.00 N ATOM 0 H ASN A 58 13.737 -9.520 8.862 1.00 0.00 H new ATOM 0 HA ASN A 58 13.604 -7.644 11.106 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.527 -9.859 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.043 -10.655 10.940 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.548 -10.957 14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.251 -11.769 12.882 1.00 0.00 H new ATOM 936 N ASN A 59 16.035 -7.341 11.496 1.00 0.00 N ATOM 937 CA ASN A 59 17.448 -7.191 11.808 1.00 0.00 C ATOM 938 C ASN A 59 17.838 -8.225 12.856 1.00 0.00 C ATOM 939 O ASN A 59 17.708 -7.999 14.061 1.00 0.00 O ATOM 940 CB ASN A 59 17.759 -5.772 12.294 1.00 0.00 C ATOM 941 CG ASN A 59 19.236 -5.567 12.598 1.00 0.00 C ATOM 942 OD1 ASN A 59 19.681 -5.730 13.735 1.00 0.00 O ATOM 943 ND2 ASN A 59 20.008 -5.213 11.582 1.00 0.00 N ATOM 0 H ASN A 59 15.440 -6.592 11.849 1.00 0.00 H new ATOM 0 HA ASN A 59 18.034 -7.356 10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.445 -5.055 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.175 -5.563 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.007 -5.066 11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.604 -5.087 10.654 1.00 0.00 H new ATOM 950 N LEU A 60 18.262 -9.380 12.374 1.00 0.00 N ATOM 951 CA LEU A 60 18.573 -10.503 13.238 1.00 0.00 C ATOM 952 C LEU A 60 19.869 -10.277 14.003 1.00 0.00 C ATOM 953 O LEU A 60 20.729 -9.491 13.597 1.00 0.00 O ATOM 954 CB LEU A 60 18.613 -11.811 12.429 1.00 0.00 C ATOM 955 CG LEU A 60 19.330 -11.752 11.071 1.00 0.00 C ATOM 956 CD1 LEU A 60 20.838 -11.665 11.242 1.00 0.00 C ATOM 957 CD2 LEU A 60 18.963 -12.962 10.231 1.00 0.00 C ATOM 0 H LEU A 60 18.399 -9.564 11.380 1.00 0.00 H new ATOM 0 HA LEU A 60 17.779 -10.590 13.979 1.00 0.00 H new ATOM 0 HB2 LEU A 60 19.097 -12.575 13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 60 17.588 -12.140 12.260 1.00 0.00 H new ATOM 0 HG LEU A 60 19.001 -10.849 10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 21.314 -11.625 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 60 21.089 -10.766 11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.194 -12.542 11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 60 19.477 -12.908 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 60 19.262 -13.871 10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 60 17.886 -12.976 10.065 1.00 0.00 H new ATOM 969 N GLU A 61 19.981 -10.964 15.124 1.00 0.00 N ATOM 970 CA GLU A 61 21.122 -10.836 16.008 1.00 0.00 C ATOM 971 C GLU A 61 22.329 -11.589 15.466 1.00 0.00 C ATOM 972 O GLU A 61 22.205 -12.488 14.629 1.00 0.00 O ATOM 973 CB GLU A 61 20.772 -11.348 17.413 1.00 0.00 C ATOM 974 CG GLU A 61 20.093 -12.710 17.421 1.00 0.00 C ATOM 975 CD GLU A 61 18.580 -12.615 17.332 1.00 0.00 C ATOM 976 OE1 GLU A 61 18.051 -12.304 16.245 1.00 0.00 O ATOM 977 OE2 GLU A 61 17.910 -12.852 18.357 1.00 0.00 O ATOM 0 H GLU A 61 19.279 -11.630 15.448 1.00 0.00 H new ATOM 0 HA GLU A 61 21.379 -9.778 16.067 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.685 -11.404 18.006 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.119 -10.624 17.901 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.465 -13.301 16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.366 -13.241 18.333 1.00 0.00 H new TER 984 GLU A 61