USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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 106 SER OG : rot 21:sc= 0.723 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -12:sc= 0.934 USER MOD Set 2.2: A 41 SER OG : rot 107:sc= -1.03 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 73:sc= 0.997 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 17 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.23) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00656 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.68 K(o=-2.7,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot -77:sc= 0.00198 USER MOD Single : A 43 TYR OH : rot -65:sc= 1.29 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -130:sc= -0.501 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 151:sc= 1.3 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.033 F(o=-1.3,f=-0.033) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 74 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 75 ASN : amide:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 76 MET CE :methyl -163:sc= -1.43 (180deg=-2.15!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 87 THR OG1 : rot -112:sc= 0.0612 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.706 F(o=-2.1,f=-0.71) USER MOD Single : A 100 SER OG : rot 130:sc= -0.325 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 137:sc= -3.57 (180deg=-7.59!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot -148:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.452 5.366 -7.428 1.00 0.00 N ATOM 26 CA ILE A 3 18.142 4.934 -8.638 1.00 0.00 C ATOM 27 C ILE A 3 19.057 3.748 -8.355 1.00 0.00 C ATOM 28 O ILE A 3 19.480 3.532 -7.219 1.00 0.00 O ATOM 29 CB ILE A 3 18.975 6.076 -9.249 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.123 7.339 -9.390 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.538 5.657 -10.599 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.901 8.542 -9.877 1.00 0.00 C ATOM 0 HA ILE A 3 17.373 4.635 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 3 19.808 6.295 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.305 7.140 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.673 7.574 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.124 6.475 -11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.175 4.782 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.719 5.414 -11.275 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.234 9.400 -9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.702 8.767 -9.173 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.329 8.327 -10.856 1.00 0.00 H new ATOM 44 N LYS A 4 19.361 2.981 -9.396 1.00 0.00 N ATOM 45 CA LYS A 4 20.229 1.817 -9.262 1.00 0.00 C ATOM 46 C LYS A 4 21.501 2.172 -8.498 1.00 0.00 C ATOM 47 O LYS A 4 22.416 2.785 -9.046 1.00 0.00 O ATOM 48 CB LYS A 4 20.589 1.262 -10.642 1.00 0.00 C ATOM 49 CG LYS A 4 20.798 -0.243 -10.657 1.00 0.00 C ATOM 50 CD LYS A 4 21.902 -0.662 -9.701 1.00 0.00 C ATOM 51 CE LYS A 4 22.625 -1.905 -10.196 1.00 0.00 C ATOM 52 NZ LYS A 4 22.428 -3.063 -9.280 1.00 0.00 N ATOM 0 H LYS A 4 19.019 3.145 -10.343 1.00 0.00 H new ATOM 0 HA LYS A 4 19.689 1.055 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.796 1.517 -11.345 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.497 1.750 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.869 -0.743 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.048 -0.566 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.615 0.154 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.478 -0.855 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.263 -2.163 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.690 -1.693 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.936 -3.890 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.796 -2.826 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.414 -3.282 -9.211 1.00 0.00 H new ATOM 66 N GLY A 5 21.552 1.780 -7.228 1.00 0.00 N ATOM 67 CA GLY A 5 22.716 2.065 -6.410 1.00 0.00 C ATOM 68 C GLY A 5 23.172 3.505 -6.531 1.00 0.00 C ATOM 69 O GLY A 5 22.613 4.396 -5.891 1.00 0.00 O ATOM 0 H GLY A 5 20.808 1.270 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.485 1.847 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.532 1.403 -6.701 1.00 0.00 H new ATOM 73 N VAL A 6 24.191 3.735 -7.354 1.00 0.00 N ATOM 74 CA VAL A 6 24.722 5.078 -7.556 1.00 0.00 C ATOM 75 C VAL A 6 24.759 5.437 -9.037 1.00 0.00 C ATOM 76 O VAL A 6 25.737 5.156 -9.731 1.00 0.00 O ATOM 77 CB VAL A 6 26.139 5.215 -6.969 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.992 4.014 -7.347 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.787 6.509 -7.440 1.00 0.00 C ATOM 0 H VAL A 6 24.665 3.009 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 6 24.054 5.765 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 6 26.062 5.248 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.990 4.129 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.534 3.105 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.064 3.946 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.788 6.590 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.853 6.508 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.185 7.357 -7.114 1.00 0.00 H new ATOM 89 N THR A 7 23.688 6.060 -9.517 1.00 0.00 N ATOM 90 CA THR A 7 23.597 6.457 -10.917 1.00 0.00 C ATOM 91 C THR A 7 22.764 7.723 -11.076 1.00 0.00 C ATOM 92 O THR A 7 22.027 8.112 -10.170 1.00 0.00 O ATOM 93 CB THR A 7 22.981 5.339 -11.779 1.00 0.00 C ATOM 94 OG1 THR A 7 23.144 4.073 -11.130 1.00 0.00 O ATOM 95 CG2 THR A 7 23.630 5.296 -13.154 1.00 0.00 C ATOM 0 H THR A 7 22.870 6.301 -8.957 1.00 0.00 H new ATOM 0 HA THR A 7 24.614 6.649 -11.258 1.00 0.00 H new ATOM 0 HB THR A 7 21.919 5.550 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.531 4.015 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.179 4.499 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.479 6.251 -13.658 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.698 5.108 -13.046 1.00 0.00 H new ATOM 103 N PHE A 8 22.886 8.364 -12.234 1.00 0.00 N ATOM 104 CA PHE A 8 22.144 9.588 -12.512 1.00 0.00 C ATOM 105 C PHE A 8 22.366 10.044 -13.951 1.00 0.00 C ATOM 106 O PHE A 8 23.456 9.890 -14.502 1.00 0.00 O ATOM 107 CB PHE A 8 22.565 10.696 -11.544 1.00 0.00 C ATOM 108 CG PHE A 8 23.940 11.236 -11.813 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.057 10.630 -11.260 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.117 12.350 -12.617 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.324 11.125 -11.505 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.381 12.849 -12.867 1.00 0.00 C ATOM 113 CZ PHE A 8 26.486 12.236 -12.309 1.00 0.00 C ATOM 0 H PHE A 8 23.492 8.056 -12.995 1.00 0.00 H new ATOM 0 HA PHE A 8 21.083 9.379 -12.375 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.845 11.512 -11.603 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.527 10.311 -10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.936 9.761 -10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.256 12.835 -13.054 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.186 10.643 -11.068 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.505 13.717 -13.498 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.475 12.625 -12.501 1.00 0.00 H new ATOM 123 N GLY A 9 21.323 10.606 -14.556 1.00 0.00 N ATOM 124 CA GLY A 9 21.424 11.074 -15.925 1.00 0.00 C ATOM 125 C GLY A 9 21.958 10.011 -16.865 1.00 0.00 C ATOM 126 O GLY A 9 23.010 10.188 -17.477 1.00 0.00 O ATOM 0 H GLY A 9 20.411 10.745 -14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.441 11.397 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.077 11.946 -15.960 1.00 0.00 H new ATOM 130 N GLU A 10 21.231 8.903 -16.976 1.00 0.00 N ATOM 131 CA GLU A 10 21.640 7.807 -17.846 1.00 0.00 C ATOM 132 C GLU A 10 20.813 7.791 -19.128 1.00 0.00 C ATOM 133 O GLU A 10 21.356 7.841 -20.231 1.00 0.00 O ATOM 134 CB GLU A 10 21.498 6.469 -17.117 1.00 0.00 C ATOM 135 CG GLU A 10 22.753 6.044 -16.373 1.00 0.00 C ATOM 136 CD GLU A 10 23.842 5.546 -17.303 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.637 4.497 -17.950 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.900 6.205 -17.385 1.00 0.00 O ATOM 0 H GLU A 10 20.357 8.741 -16.475 1.00 0.00 H new ATOM 0 HA GLU A 10 22.686 7.959 -18.112 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.672 6.537 -16.409 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.236 5.697 -17.840 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.131 6.887 -15.795 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.500 5.258 -15.662 1.00 0.00 H new ATOM 145 N ASP A 11 19.495 7.720 -18.973 1.00 0.00 N ATOM 146 CA ASP A 11 18.591 7.697 -20.117 1.00 0.00 C ATOM 147 C ASP A 11 17.220 8.249 -19.737 1.00 0.00 C ATOM 148 O ASP A 11 16.780 9.269 -20.270 1.00 0.00 O ATOM 149 CB ASP A 11 18.450 6.272 -20.655 1.00 0.00 C ATOM 150 CG ASP A 11 18.445 6.223 -22.170 1.00 0.00 C ATOM 151 OD1 ASP A 11 17.419 6.601 -22.773 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.468 5.808 -22.753 1.00 0.00 O ATOM 0 H ASP A 11 19.029 7.677 -18.067 1.00 0.00 H new ATOM 0 HA ASP A 11 19.015 8.330 -20.896 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.270 5.661 -20.277 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.526 5.834 -20.277 1.00 0.00 H new ATOM 157 N THR A 12 16.549 7.569 -18.814 1.00 0.00 N ATOM 158 CA THR A 12 15.228 7.989 -18.364 1.00 0.00 C ATOM 159 C THR A 12 14.725 7.102 -17.231 1.00 0.00 C ATOM 160 O THR A 12 15.353 6.101 -16.887 1.00 0.00 O ATOM 161 CB THR A 12 14.207 7.959 -19.517 1.00 0.00 C ATOM 162 OG1 THR A 12 12.979 8.567 -19.100 1.00 0.00 O ATOM 163 CG2 THR A 12 13.943 6.531 -19.969 1.00 0.00 C ATOM 0 H THR A 12 16.899 6.724 -18.363 1.00 0.00 H new ATOM 0 HA THR A 12 15.327 9.013 -18.003 1.00 0.00 H new ATOM 0 HB THR A 12 14.623 8.518 -20.355 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.336 8.546 -19.839 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.219 6.535 -20.784 1.00 0.00 H new ATOM 0 HG22 THR A 12 14.874 6.080 -20.313 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.547 5.953 -19.134 1.00 0.00 H new ATOM 171 N VAL A 13 13.587 7.476 -16.654 1.00 0.00 N ATOM 172 CA VAL A 13 12.998 6.713 -15.560 1.00 0.00 C ATOM 173 C VAL A 13 12.071 5.623 -16.086 1.00 0.00 C ATOM 174 O VAL A 13 11.668 5.646 -17.249 1.00 0.00 O ATOM 175 CB VAL A 13 12.209 7.624 -14.601 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.131 7.002 -13.215 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.840 9.007 -14.540 1.00 0.00 C ATOM 0 H VAL A 13 13.055 8.303 -16.926 1.00 0.00 H new ATOM 0 HA VAL A 13 13.823 6.253 -15.016 1.00 0.00 H new ATOM 0 HB VAL A 13 11.193 7.730 -14.982 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.570 7.660 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.629 6.036 -13.277 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.138 6.863 -12.821 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.270 9.637 -13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.867 8.923 -14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.836 9.453 -15.535 1.00 0.00 H new ATOM 187 N TRP A 14 11.738 4.671 -15.224 1.00 0.00 N ATOM 188 CA TRP A 14 10.857 3.571 -15.602 1.00 0.00 C ATOM 189 C TRP A 14 11.472 2.743 -16.725 1.00 0.00 C ATOM 190 O TRP A 14 10.777 1.985 -17.400 1.00 0.00 O ATOM 191 CB TRP A 14 9.493 4.110 -16.037 1.00 0.00 C ATOM 192 CG TRP A 14 8.688 4.671 -14.904 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.963 5.797 -14.181 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.476 4.132 -14.364 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.996 5.989 -13.224 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.072 4.982 -13.316 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.693 3.014 -14.665 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.921 4.747 -12.569 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.550 2.783 -13.922 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.173 3.646 -12.885 1.00 0.00 C ATOM 0 H TRP A 14 12.064 4.637 -14.258 1.00 0.00 H new ATOM 0 HA TRP A 14 10.725 2.928 -14.732 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.640 4.886 -16.788 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.928 3.308 -16.513 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.815 6.441 -14.338 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.970 6.757 -12.553 1.00 0.00 H new ATOM 0 HE3 TRP A 14 6.975 2.343 -15.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.629 5.410 -11.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.937 1.922 -14.145 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.274 3.438 -12.324 1.00 0.00 H new ATOM 211 N GLU A 15 12.778 2.894 -16.918 1.00 0.00 N ATOM 212 CA GLU A 15 13.485 2.159 -17.961 1.00 0.00 C ATOM 213 C GLU A 15 14.834 1.657 -17.454 1.00 0.00 C ATOM 214 O GLU A 15 15.266 0.555 -17.792 1.00 0.00 O ATOM 215 CB GLU A 15 13.688 3.045 -19.192 1.00 0.00 C ATOM 216 CG GLU A 15 12.485 3.085 -20.118 1.00 0.00 C ATOM 217 CD GLU A 15 12.669 2.222 -21.352 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.175 1.089 -21.214 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.307 2.682 -22.455 1.00 0.00 O ATOM 0 H GLU A 15 13.368 3.518 -16.367 1.00 0.00 H new ATOM 0 HA GLU A 15 12.877 1.298 -18.238 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.918 4.059 -18.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.553 2.685 -19.749 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.601 2.751 -19.574 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.301 4.115 -20.424 1.00 0.00 H new ATOM 226 N VAL A 16 15.495 2.474 -16.640 1.00 0.00 N ATOM 227 CA VAL A 16 16.794 2.114 -16.085 1.00 0.00 C ATOM 228 C VAL A 16 16.787 2.207 -14.564 1.00 0.00 C ATOM 229 O VAL A 16 17.438 1.417 -13.881 1.00 0.00 O ATOM 230 CB VAL A 16 17.911 3.018 -16.639 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.259 2.318 -16.550 1.00 0.00 C ATOM 232 CG2 VAL A 16 17.606 3.424 -18.073 1.00 0.00 C ATOM 0 H VAL A 16 15.152 3.390 -16.350 1.00 0.00 H new ATOM 0 HA VAL A 16 16.990 1.084 -16.382 1.00 0.00 H new ATOM 0 HB VAL A 16 17.957 3.922 -16.031 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.036 2.972 -16.946 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.479 2.083 -15.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.230 1.397 -17.131 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.406 4.062 -18.448 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.531 2.532 -18.695 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.662 3.968 -18.104 1.00 0.00 H new ATOM 242 N GLN A 17 16.046 3.178 -14.039 1.00 0.00 N ATOM 243 CA GLN A 17 15.954 3.375 -12.597 1.00 0.00 C ATOM 244 C GLN A 17 15.633 2.064 -11.889 1.00 0.00 C ATOM 245 O GLN A 17 16.232 1.736 -10.866 1.00 0.00 O ATOM 246 CB GLN A 17 14.886 4.420 -12.271 1.00 0.00 C ATOM 247 CG GLN A 17 14.270 4.250 -10.892 1.00 0.00 C ATOM 248 CD GLN A 17 13.405 5.429 -10.490 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.906 6.445 -10.008 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.098 5.299 -10.687 1.00 0.00 N ATOM 0 H GLN A 17 15.501 3.840 -14.591 1.00 0.00 H new ATOM 0 HA GLN A 17 16.921 3.732 -12.241 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.328 5.414 -12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.097 4.367 -13.021 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.669 3.341 -10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.064 4.120 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.726 4.439 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.466 6.059 -10.436 1.00 0.00 H new ATOM 259 N GLY A 18 14.681 1.316 -12.440 1.00 0.00 N ATOM 260 CA GLY A 18 14.295 0.049 -11.846 1.00 0.00 C ATOM 261 C GLY A 18 13.296 0.217 -10.719 1.00 0.00 C ATOM 262 O GLY A 18 13.351 -0.499 -9.719 1.00 0.00 O ATOM 0 H GLY A 18 14.170 1.565 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.866 -0.593 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.183 -0.457 -11.467 1.00 0.00 H new ATOM 266 N TYR A 19 12.380 1.166 -10.879 1.00 0.00 N ATOM 267 CA TYR A 19 11.366 1.429 -9.865 1.00 0.00 C ATOM 268 C TYR A 19 10.114 2.036 -10.491 1.00 0.00 C ATOM 269 O TYR A 19 10.146 2.530 -11.618 1.00 0.00 O ATOM 270 CB TYR A 19 11.919 2.367 -8.791 1.00 0.00 C ATOM 271 CG TYR A 19 12.628 1.648 -7.666 1.00 0.00 C ATOM 272 CD1 TYR A 19 11.911 1.029 -6.650 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.015 1.587 -7.619 1.00 0.00 C ATOM 274 CE1 TYR A 19 12.554 0.372 -5.619 1.00 0.00 C ATOM 275 CE2 TYR A 19 14.667 0.930 -6.593 1.00 0.00 C ATOM 276 CZ TYR A 19 13.932 0.325 -5.595 1.00 0.00 C ATOM 277 OH TYR A 19 14.577 -0.330 -4.571 1.00 0.00 O ATOM 0 H TYR A 19 12.319 1.766 -11.702 1.00 0.00 H new ATOM 0 HA TYR A 19 11.096 0.479 -9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.611 3.069 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.100 2.954 -8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.832 1.062 -6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.594 2.061 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.981 -0.102 -4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.746 0.890 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 19 15.546 -0.271 -4.704 1.00 0.00 H new ATOM 287 N LYS A 20 9.011 1.995 -9.751 1.00 0.00 N ATOM 288 CA LYS A 20 7.747 2.542 -10.230 1.00 0.00 C ATOM 289 C LYS A 20 7.048 3.336 -9.131 1.00 0.00 C ATOM 290 O LYS A 20 7.585 3.507 -8.038 1.00 0.00 O ATOM 291 CB LYS A 20 6.834 1.417 -10.721 1.00 0.00 C ATOM 292 CG LYS A 20 7.259 0.827 -12.055 1.00 0.00 C ATOM 293 CD LYS A 20 8.365 -0.201 -11.883 1.00 0.00 C ATOM 294 CE LYS A 20 8.069 -1.472 -12.663 1.00 0.00 C ATOM 295 NZ LYS A 20 8.143 -1.251 -14.134 1.00 0.00 N ATOM 0 H LYS A 20 8.967 1.588 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 20 7.962 3.215 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.813 0.625 -9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.817 1.798 -10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.400 0.361 -12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.602 1.625 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.312 0.222 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.480 -0.440 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.779 -2.248 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.076 -1.836 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.935 -2.141 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.448 -0.529 -14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.098 -0.928 -14.389 1.00 0.00 H new ATOM 309 N ASN A 21 5.846 3.819 -9.430 1.00 0.00 N ATOM 310 CA ASN A 21 5.072 4.594 -8.467 1.00 0.00 C ATOM 311 C ASN A 21 3.600 4.194 -8.503 1.00 0.00 C ATOM 312 O ASN A 21 2.882 4.514 -9.450 1.00 0.00 O ATOM 313 CB ASN A 21 5.212 6.090 -8.755 1.00 0.00 C ATOM 314 CG ASN A 21 6.649 6.494 -9.026 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.516 6.363 -8.162 1.00 0.00 O ATOM 316 ND2 ASN A 21 6.907 6.989 -10.231 1.00 0.00 N ATOM 0 H ASN A 21 5.387 3.687 -10.331 1.00 0.00 H new ATOM 0 HA ASN A 21 5.463 4.384 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.596 6.351 -9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.832 6.658 -7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.855 7.278 -10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.157 7.080 -10.916 1.00 0.00 H new ATOM 323 N VAL A 22 3.158 3.492 -7.465 1.00 0.00 N ATOM 324 CA VAL A 22 1.771 3.049 -7.377 1.00 0.00 C ATOM 325 C VAL A 22 1.084 3.635 -6.149 1.00 0.00 C ATOM 326 O VAL A 22 1.735 3.950 -5.152 1.00 0.00 O ATOM 327 CB VAL A 22 1.675 1.512 -7.320 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.234 0.990 -6.006 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.235 1.062 -7.513 1.00 0.00 C ATOM 0 H VAL A 22 3.740 3.218 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 22 1.268 3.404 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 22 2.273 1.097 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.158 -0.097 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.280 1.282 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.666 1.410 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.185 -0.026 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.387 1.485 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.126 1.404 -8.483 1.00 0.00 H new ATOM 339 N ARG A 23 -0.235 3.779 -6.227 1.00 0.00 N ATOM 340 CA ARG A 23 -1.010 4.329 -5.122 1.00 0.00 C ATOM 341 C ARG A 23 -2.103 3.357 -4.689 1.00 0.00 C ATOM 342 O ARG A 23 -2.797 2.775 -5.523 1.00 0.00 O ATOM 343 CB ARG A 23 -1.634 5.667 -5.525 1.00 0.00 C ATOM 344 CG ARG A 23 -0.754 6.867 -5.213 1.00 0.00 C ATOM 345 CD ARG A 23 -1.488 7.889 -4.359 1.00 0.00 C ATOM 346 NE ARG A 23 -1.210 9.258 -4.784 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.811 9.844 -5.814 1.00 0.00 C ATOM 348 NH1 ARG A 23 -2.719 9.184 -6.519 1.00 0.00 N ATOM 349 NH2 ARG A 23 -1.504 11.093 -6.139 1.00 0.00 N ATOM 0 H ARG A 23 -0.789 3.522 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.335 4.489 -4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.848 5.652 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.588 5.783 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.145 6.535 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.430 7.334 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.561 7.703 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.196 7.767 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.517 9.794 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.958 8.224 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.179 9.636 -7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.806 11.604 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.966 11.542 -6.930 1.00 0.00 H new ATOM 363 N ILE A 24 -2.249 3.184 -3.379 1.00 0.00 N ATOM 364 CA ILE A 24 -3.258 2.283 -2.836 1.00 0.00 C ATOM 365 C ILE A 24 -4.483 3.054 -2.355 1.00 0.00 C ATOM 366 O ILE A 24 -4.377 3.956 -1.523 1.00 0.00 O ATOM 367 CB ILE A 24 -2.698 1.451 -1.667 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.219 1.136 -1.899 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.499 0.169 -1.498 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.952 0.418 -3.204 1.00 0.00 C ATOM 0 H ILE A 24 -1.682 3.656 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.549 1.611 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.786 2.034 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.651 2.066 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.853 0.524 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.091 -0.408 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.541 0.415 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.440 -0.420 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.117 0.227 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.493 -0.528 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.288 1.038 -4.036 1.00 0.00 H new ATOM 382 N THR A 25 -5.648 2.692 -2.884 1.00 0.00 N ATOM 383 CA THR A 25 -6.894 3.349 -2.510 1.00 0.00 C ATOM 384 C THR A 25 -8.100 2.499 -2.894 1.00 0.00 C ATOM 385 O THR A 25 -8.699 2.696 -3.951 1.00 0.00 O ATOM 386 CB THR A 25 -7.022 4.732 -3.175 1.00 0.00 C ATOM 387 OG1 THR A 25 -5.976 5.596 -2.714 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.374 5.357 -2.867 1.00 0.00 C ATOM 0 H THR A 25 -5.754 1.947 -3.573 1.00 0.00 H new ATOM 0 HA THR A 25 -6.872 3.476 -1.428 1.00 0.00 H new ATOM 0 HB THR A 25 -6.937 4.601 -4.254 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.526 5.184 -1.947 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.441 6.333 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.167 4.712 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.483 5.475 -1.789 1.00 0.00 H new ATOM 396 N PHE A 26 -8.452 1.555 -2.028 1.00 0.00 N ATOM 397 CA PHE A 26 -9.588 0.674 -2.278 1.00 0.00 C ATOM 398 C PHE A 26 -10.627 0.800 -1.168 1.00 0.00 C ATOM 399 O PHE A 26 -11.663 1.440 -1.344 1.00 0.00 O ATOM 400 CB PHE A 26 -9.119 -0.778 -2.392 1.00 0.00 C ATOM 401 CG PHE A 26 -10.238 -1.752 -2.626 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.240 -1.470 -3.541 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.288 -2.950 -1.931 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.271 -2.365 -3.758 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.317 -3.848 -2.143 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.309 -3.556 -3.059 1.00 0.00 C ATOM 0 H PHE A 26 -7.968 1.380 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.049 0.974 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.402 -0.857 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.592 -1.054 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.215 -0.541 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.514 -3.185 -1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.046 -2.133 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.346 -4.777 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.113 -4.257 -3.228 1.00 0.00 H new ATOM 416 N GLU A 27 -10.342 0.183 -0.026 1.00 0.00 N ATOM 417 CA GLU A 27 -11.253 0.224 1.113 1.00 0.00 C ATOM 418 C GLU A 27 -10.639 -0.469 2.326 1.00 0.00 C ATOM 419 O GLU A 27 -10.132 -1.587 2.226 1.00 0.00 O ATOM 420 CB GLU A 27 -12.585 -0.437 0.753 1.00 0.00 C ATOM 421 CG GLU A 27 -12.491 -1.945 0.590 1.00 0.00 C ATOM 422 CD GLU A 27 -13.505 -2.489 -0.397 1.00 0.00 C ATOM 423 OE1 GLU A 27 -13.837 -1.770 -1.363 1.00 0.00 O ATOM 424 OE2 GLU A 27 -13.966 -3.634 -0.205 1.00 0.00 O ATOM 0 H GLU A 27 -9.488 -0.351 0.136 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.431 1.269 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.316 -0.209 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.958 -0.002 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.487 -2.209 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.641 -2.422 1.559 1.00 0.00 H new ATOM 431 N LEU A 28 -10.689 0.202 3.471 1.00 0.00 N ATOM 432 CA LEU A 28 -10.139 -0.348 4.705 1.00 0.00 C ATOM 433 C LEU A 28 -10.901 0.170 5.920 1.00 0.00 C ATOM 434 O LEU A 28 -11.205 -0.586 6.843 1.00 0.00 O ATOM 435 CB LEU A 28 -8.656 0.009 4.829 1.00 0.00 C ATOM 436 CG LEU A 28 -7.758 -0.444 3.677 1.00 0.00 C ATOM 437 CD1 LEU A 28 -6.382 0.192 3.791 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.646 -1.962 3.655 1.00 0.00 C ATOM 0 H LEU A 28 -11.105 1.128 3.571 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.244 -1.432 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.570 1.091 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.274 -0.425 5.753 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.209 -0.118 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.757 -0.142 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.479 1.277 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.922 -0.102 4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.004 -2.267 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.218 -2.309 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.636 -2.398 3.525 1.00 0.00 H new ATOM 450 N ASP A 29 -11.210 1.462 5.912 1.00 0.00 N ATOM 451 CA ASP A 29 -11.940 2.080 7.012 1.00 0.00 C ATOM 452 C ASP A 29 -13.015 3.027 6.486 1.00 0.00 C ATOM 453 O ASP A 29 -12.991 3.421 5.321 1.00 0.00 O ATOM 454 CB ASP A 29 -10.979 2.839 7.928 1.00 0.00 C ATOM 455 CG ASP A 29 -10.960 2.281 9.338 1.00 0.00 C ATOM 456 OD1 ASP A 29 -11.774 2.739 10.168 1.00 0.00 O ATOM 457 OD2 ASP A 29 -10.133 1.386 9.610 1.00 0.00 O ATOM 0 H ASP A 29 -10.966 2.102 5.156 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.425 1.289 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.973 2.796 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.266 3.890 7.960 1.00 0.00 H new ATOM 462 N GLU A 30 -13.957 3.385 7.354 1.00 0.00 N ATOM 463 CA GLU A 30 -15.041 4.284 6.975 1.00 0.00 C ATOM 464 C GLU A 30 -14.930 5.613 7.716 1.00 0.00 C ATOM 465 O GLU A 30 -15.493 6.622 7.290 1.00 0.00 O ATOM 466 CB GLU A 30 -16.396 3.636 7.269 1.00 0.00 C ATOM 467 CG GLU A 30 -16.574 3.228 8.722 1.00 0.00 C ATOM 468 CD GLU A 30 -17.977 3.491 9.234 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.542 4.552 8.896 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.509 2.635 9.972 1.00 0.00 O ATOM 0 H GLU A 30 -13.991 3.067 8.322 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.962 4.477 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.189 4.332 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.513 2.756 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.345 2.168 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.858 3.772 9.339 1.00 0.00 H new ATOM 477 N ARG A 31 -14.200 5.606 8.826 1.00 0.00 N ATOM 478 CA ARG A 31 -14.016 6.810 9.628 1.00 0.00 C ATOM 479 C ARG A 31 -12.614 7.381 9.436 1.00 0.00 C ATOM 480 O ARG A 31 -12.388 8.576 9.626 1.00 0.00 O ATOM 481 CB ARG A 31 -14.256 6.505 11.107 1.00 0.00 C ATOM 482 CG ARG A 31 -15.269 7.430 11.763 1.00 0.00 C ATOM 483 CD ARG A 31 -16.687 7.106 11.321 1.00 0.00 C ATOM 484 NE ARG A 31 -17.607 8.211 11.579 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.928 8.102 11.497 1.00 0.00 C ATOM 486 NH1 ARG A 31 -19.481 6.943 11.166 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.699 9.153 11.747 1.00 0.00 N ATOM 0 H ARG A 31 -13.726 4.780 9.191 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.741 7.553 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.599 5.475 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.310 6.578 11.643 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.195 7.342 12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.036 8.464 11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.690 6.873 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.035 6.215 11.844 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.213 9.116 11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.892 6.133 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.496 6.861 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.277 10.046 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.713 9.068 11.684 1.00 0.00 H new ATOM 501 N VAL A 32 -11.676 6.519 9.058 1.00 0.00 N ATOM 502 CA VAL A 32 -10.296 6.938 8.840 1.00 0.00 C ATOM 503 C VAL A 32 -9.780 6.449 7.491 1.00 0.00 C ATOM 504 O VAL A 32 -8.630 6.026 7.371 1.00 0.00 O ATOM 505 CB VAL A 32 -9.368 6.414 9.952 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.697 7.081 11.279 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.474 4.901 10.066 1.00 0.00 C ATOM 0 H VAL A 32 -11.846 5.526 8.896 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.290 8.028 8.855 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.340 6.664 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.032 6.699 12.053 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.565 8.159 11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.730 6.864 11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.812 4.548 10.856 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.501 4.625 10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.185 4.444 9.120 1.00 0.00 H new ATOM 517 N ASP A 33 -10.638 6.509 6.479 1.00 0.00 N ATOM 518 CA ASP A 33 -10.269 6.074 5.137 1.00 0.00 C ATOM 519 C ASP A 33 -9.399 7.120 4.446 1.00 0.00 C ATOM 520 O ASP A 33 -8.540 6.788 3.629 1.00 0.00 O ATOM 521 CB ASP A 33 -11.522 5.804 4.302 1.00 0.00 C ATOM 522 CG ASP A 33 -11.359 4.609 3.384 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.209 4.167 3.184 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.383 4.116 2.864 1.00 0.00 O ATOM 0 H ASP A 33 -11.594 6.855 6.562 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.695 5.151 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.369 5.635 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.756 6.687 3.707 1.00 0.00 H new ATOM 529 N LYS A 34 -9.628 8.386 4.780 1.00 0.00 N ATOM 530 CA LYS A 34 -8.866 9.482 4.193 1.00 0.00 C ATOM 531 C LYS A 34 -7.483 9.585 4.829 1.00 0.00 C ATOM 532 O LYS A 34 -6.590 10.240 4.293 1.00 0.00 O ATOM 533 CB LYS A 34 -9.618 10.803 4.366 1.00 0.00 C ATOM 534 CG LYS A 34 -9.208 11.578 5.606 1.00 0.00 C ATOM 535 CD LYS A 34 -9.563 10.825 6.877 1.00 0.00 C ATOM 536 CE LYS A 34 -11.002 11.083 7.296 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.088 11.626 8.680 1.00 0.00 N ATOM 0 H LYS A 34 -10.335 8.678 5.454 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.743 9.277 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.450 11.425 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.688 10.599 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.134 11.765 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.701 12.550 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.415 9.756 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.890 11.127 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.462 11.785 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.570 10.155 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.085 11.788 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.672 10.945 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.567 12.525 8.733 1.00 0.00 H new ATOM 551 N VAL A 35 -7.313 8.932 5.974 1.00 0.00 N ATOM 552 CA VAL A 35 -6.039 8.948 6.682 1.00 0.00 C ATOM 553 C VAL A 35 -5.046 7.980 6.048 1.00 0.00 C ATOM 554 O VAL A 35 -3.880 7.922 6.441 1.00 0.00 O ATOM 555 CB VAL A 35 -6.217 8.584 8.168 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.933 8.848 8.940 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.379 9.358 8.770 1.00 0.00 C ATOM 0 H VAL A 35 -8.042 8.385 6.431 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.649 9.963 6.609 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.443 7.520 8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.078 8.585 9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.127 8.245 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.673 9.904 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.490 9.089 9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.185 10.427 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.296 9.114 8.234 1.00 0.00 H new ATOM 567 N LEU A 36 -5.516 7.220 5.064 1.00 0.00 N ATOM 568 CA LEU A 36 -4.669 6.253 4.374 1.00 0.00 C ATOM 569 C LEU A 36 -4.591 6.564 2.883 1.00 0.00 C ATOM 570 O LEU A 36 -3.920 5.863 2.127 1.00 0.00 O ATOM 571 CB LEU A 36 -5.205 4.835 4.583 1.00 0.00 C ATOM 572 CG LEU A 36 -6.355 4.411 3.669 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.837 3.571 2.513 1.00 0.00 C ATOM 574 CD2 LEU A 36 -7.408 3.645 4.458 1.00 0.00 C ATOM 0 H LEU A 36 -6.478 7.255 4.727 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.665 6.321 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.382 4.133 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.536 4.742 5.617 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.818 5.309 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.670 3.279 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.121 4.153 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.348 2.678 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.219 3.351 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.958 2.755 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.802 4.280 5.251 1.00 0.00 H new ATOM 586 N ASN A 37 -5.280 7.622 2.467 1.00 0.00 N ATOM 587 CA ASN A 37 -5.288 8.028 1.067 1.00 0.00 C ATOM 588 C ASN A 37 -4.642 9.399 0.894 1.00 0.00 C ATOM 589 O ASN A 37 -4.285 9.793 -0.216 1.00 0.00 O ATOM 590 CB ASN A 37 -6.720 8.055 0.529 1.00 0.00 C ATOM 591 CG ASN A 37 -7.360 9.423 0.659 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.218 10.093 1.682 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.071 9.845 -0.381 1.00 0.00 N ATOM 0 H ASN A 37 -5.840 8.214 3.080 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.708 7.299 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.717 7.756 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.322 7.323 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.526 10.758 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.162 9.256 -1.209 1.00 0.00 H new ATOM 600 N GLU A 38 -4.495 10.122 2.001 1.00 0.00 N ATOM 601 CA GLU A 38 -3.892 11.449 1.971 1.00 0.00 C ATOM 602 C GLU A 38 -2.547 11.452 2.691 1.00 0.00 C ATOM 603 O GLU A 38 -1.538 11.898 2.143 1.00 0.00 O ATOM 604 CB GLU A 38 -4.830 12.473 2.614 1.00 0.00 C ATOM 605 CG GLU A 38 -6.085 12.744 1.803 1.00 0.00 C ATOM 606 CD GLU A 38 -6.093 14.128 1.184 1.00 0.00 C ATOM 607 OE1 GLU A 38 -6.321 15.107 1.925 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.872 14.232 -0.041 1.00 0.00 O ATOM 0 H GLU A 38 -4.785 9.811 2.928 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.727 11.722 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.117 12.118 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.290 13.409 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.171 11.997 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.959 12.632 2.445 1.00 0.00 H new ATOM 615 N LYS A 39 -2.540 10.952 3.921 1.00 0.00 N ATOM 616 CA LYS A 39 -1.320 10.895 4.718 1.00 0.00 C ATOM 617 C LYS A 39 -0.181 10.263 3.924 1.00 0.00 C ATOM 618 O LYS A 39 0.935 10.785 3.898 1.00 0.00 O ATOM 619 CB LYS A 39 -1.562 10.100 6.003 1.00 0.00 C ATOM 620 CG LYS A 39 -2.790 10.551 6.775 1.00 0.00 C ATOM 621 CD LYS A 39 -2.812 12.059 6.958 1.00 0.00 C ATOM 622 CE LYS A 39 -3.832 12.717 6.041 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.537 13.843 6.714 1.00 0.00 N ATOM 0 H LYS A 39 -3.366 10.580 4.389 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.037 11.915 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.668 9.044 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.686 10.189 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.689 10.235 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.806 10.065 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.047 12.297 7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.822 12.466 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.331 13.085 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.561 11.974 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.223 14.265 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.036 13.487 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.845 14.564 7.002 1.00 0.00 H new ATOM 637 N CYS A 40 -0.469 9.139 3.277 1.00 0.00 N ATOM 638 CA CYS A 40 0.532 8.437 2.481 1.00 0.00 C ATOM 639 C CYS A 40 -0.071 7.205 1.815 1.00 0.00 C ATOM 640 O CYS A 40 -0.106 6.124 2.403 1.00 0.00 O ATOM 641 CB CYS A 40 1.717 8.030 3.358 1.00 0.00 C ATOM 642 SG CYS A 40 2.922 6.971 2.525 1.00 0.00 S ATOM 0 H CYS A 40 -1.387 8.694 3.288 1.00 0.00 H new ATOM 0 HA CYS A 40 0.882 9.114 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.222 8.930 3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.341 7.511 4.240 1.00 0.00 H new ATOM 0 HG CYS A 40 2.457 5.759 2.451 1.00 0.00 H new ATOM 648 N SER A 41 -0.545 7.376 0.585 1.00 0.00 N ATOM 649 CA SER A 41 -1.152 6.278 -0.160 1.00 0.00 C ATOM 650 C SER A 41 -0.259 5.851 -1.321 1.00 0.00 C ATOM 651 O SER A 41 -0.571 4.904 -2.043 1.00 0.00 O ATOM 652 CB SER A 41 -2.529 6.690 -0.684 1.00 0.00 C ATOM 653 OG SER A 41 -2.621 6.490 -2.084 1.00 0.00 O ATOM 0 H SER A 41 -0.521 8.264 0.083 1.00 0.00 H new ATOM 0 HA SER A 41 -1.268 5.431 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.302 6.111 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.712 7.739 -0.450 1.00 0.00 H new ATOM 0 HG SER A 41 -3.187 5.711 -2.267 1.00 0.00 H new ATOM 659 N VAL A 42 0.853 6.558 -1.495 1.00 0.00 N ATOM 660 CA VAL A 42 1.793 6.253 -2.567 1.00 0.00 C ATOM 661 C VAL A 42 2.985 5.460 -2.044 1.00 0.00 C ATOM 662 O VAL A 42 3.488 5.724 -0.952 1.00 0.00 O ATOM 663 CB VAL A 42 2.303 7.537 -3.249 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.820 8.522 -2.212 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.383 7.206 -4.268 1.00 0.00 C ATOM 0 H VAL A 42 1.125 7.346 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 42 1.254 5.652 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 42 1.471 8.004 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.176 9.423 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.015 8.782 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.640 8.068 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.732 8.125 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.218 6.716 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.974 6.540 -5.028 1.00 0.00 H new ATOM 675 N TYR A 43 3.434 4.488 -2.831 1.00 0.00 N ATOM 676 CA TYR A 43 4.567 3.655 -2.447 1.00 0.00 C ATOM 677 C TYR A 43 5.376 3.238 -3.671 1.00 0.00 C ATOM 678 O TYR A 43 4.823 3.008 -4.748 1.00 0.00 O ATOM 679 CB TYR A 43 4.082 2.415 -1.695 1.00 0.00 C ATOM 680 CG TYR A 43 3.069 2.719 -0.615 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.722 2.869 -0.920 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.459 2.855 0.712 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.793 3.148 0.063 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.536 3.132 1.703 1.00 0.00 C ATOM 685 CZ TYR A 43 1.205 3.278 1.373 1.00 0.00 C ATOM 686 OH TYR A 43 0.282 3.554 2.356 1.00 0.00 O ATOM 0 H TYR A 43 3.030 4.258 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 43 5.211 4.241 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.642 1.717 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.940 1.914 -1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.395 2.766 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.501 2.742 0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.250 3.264 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.855 3.233 2.730 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.105 4.441 2.202 1.00 0.00 H new ATOM 696 N THR A 44 6.690 3.140 -3.499 1.00 0.00 N ATOM 697 CA THR A 44 7.577 2.750 -4.587 1.00 0.00 C ATOM 698 C THR A 44 7.694 1.234 -4.686 1.00 0.00 C ATOM 699 O THR A 44 7.580 0.526 -3.685 1.00 0.00 O ATOM 700 CB THR A 44 8.984 3.352 -4.408 1.00 0.00 C ATOM 701 OG1 THR A 44 8.933 4.455 -3.497 1.00 0.00 O ATOM 702 CG2 THR A 44 9.549 3.815 -5.742 1.00 0.00 C ATOM 0 H THR A 44 7.164 3.326 -2.615 1.00 0.00 H new ATOM 0 HA THR A 44 7.138 3.138 -5.506 1.00 0.00 H new ATOM 0 HB THR A 44 9.637 2.578 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.831 4.831 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.543 4.236 -5.590 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.615 2.967 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.895 4.574 -6.170 1.00 0.00 H new ATOM 710 N VAL A 45 7.923 0.740 -5.899 1.00 0.00 N ATOM 711 CA VAL A 45 8.057 -0.693 -6.128 1.00 0.00 C ATOM 712 C VAL A 45 9.142 -0.986 -7.158 1.00 0.00 C ATOM 713 O VAL A 45 9.068 -0.528 -8.298 1.00 0.00 O ATOM 714 CB VAL A 45 6.730 -1.312 -6.606 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.142 -0.498 -7.748 1.00 0.00 C ATOM 716 CG2 VAL A 45 6.937 -2.760 -7.023 1.00 0.00 C ATOM 0 H VAL A 45 8.020 1.312 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 45 8.335 -1.141 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 45 6.022 -1.295 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.205 -0.950 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.955 0.521 -7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.844 -0.480 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.989 -3.181 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.661 -2.804 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.309 -3.333 -6.174 1.00 0.00 H new ATOM 726 N GLU A 46 10.148 -1.753 -6.749 1.00 0.00 N ATOM 727 CA GLU A 46 11.248 -2.107 -7.638 1.00 0.00 C ATOM 728 C GLU A 46 10.742 -2.890 -8.846 1.00 0.00 C ATOM 729 O GLU A 46 9.537 -2.985 -9.076 1.00 0.00 O ATOM 730 CB GLU A 46 12.296 -2.929 -6.886 1.00 0.00 C ATOM 731 CG GLU A 46 13.723 -2.467 -7.130 1.00 0.00 C ATOM 732 CD GLU A 46 14.549 -3.493 -7.880 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.513 -4.680 -7.495 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.231 -3.108 -8.853 1.00 0.00 O ATOM 0 H GLU A 46 10.224 -2.141 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 46 11.706 -1.184 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.085 -2.881 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.206 -3.974 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.707 -1.535 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.200 -2.252 -6.174 1.00 0.00 H new ATOM 741 N SER A 47 11.672 -3.447 -9.614 1.00 0.00 N ATOM 742 CA SER A 47 11.322 -4.219 -10.801 1.00 0.00 C ATOM 743 C SER A 47 11.415 -5.716 -10.524 1.00 0.00 C ATOM 744 O SER A 47 10.817 -6.528 -11.228 1.00 0.00 O ATOM 745 CB SER A 47 12.240 -3.846 -11.967 1.00 0.00 C ATOM 746 OG SER A 47 13.209 -4.855 -12.196 1.00 0.00 O ATOM 0 H SER A 47 12.674 -3.378 -9.436 1.00 0.00 H new ATOM 0 HA SER A 47 10.292 -3.981 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.646 -3.697 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.738 -2.900 -11.754 1.00 0.00 H new ATOM 0 HG SER A 47 13.782 -4.594 -12.947 1.00 0.00 H new ATOM 752 N GLY A 48 12.172 -6.074 -9.490 1.00 0.00 N ATOM 753 CA GLY A 48 12.331 -7.472 -9.137 1.00 0.00 C ATOM 754 C GLY A 48 11.625 -7.827 -7.843 1.00 0.00 C ATOM 755 O GLY A 48 11.823 -8.913 -7.296 1.00 0.00 O ATOM 0 H GLY A 48 12.677 -5.421 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.941 -8.094 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.392 -7.701 -9.043 1.00 0.00 H new ATOM 759 N THR A 49 10.799 -6.910 -7.350 1.00 0.00 N ATOM 760 CA THR A 49 10.063 -7.130 -6.112 1.00 0.00 C ATOM 761 C THR A 49 8.986 -8.192 -6.294 1.00 0.00 C ATOM 762 O THR A 49 8.692 -8.604 -7.415 1.00 0.00 O ATOM 763 CB THR A 49 9.407 -5.830 -5.609 1.00 0.00 C ATOM 764 OG1 THR A 49 10.142 -4.696 -6.083 1.00 0.00 O ATOM 765 CG2 THR A 49 9.350 -5.805 -4.089 1.00 0.00 C ATOM 0 H THR A 49 10.623 -6.007 -7.790 1.00 0.00 H new ATOM 0 HA THR A 49 10.786 -7.473 -5.372 1.00 0.00 H new ATOM 0 HB THR A 49 8.388 -5.790 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.334 -4.094 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.883 -4.878 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.765 -6.653 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.361 -5.866 -3.686 1.00 0.00 H new ATOM 773 N GLU A 50 8.400 -8.631 -5.184 1.00 0.00 N ATOM 774 CA GLU A 50 7.354 -9.647 -5.223 1.00 0.00 C ATOM 775 C GLU A 50 6.034 -9.089 -4.698 1.00 0.00 C ATOM 776 O GLU A 50 6.016 -8.136 -3.919 1.00 0.00 O ATOM 777 CB GLU A 50 7.768 -10.868 -4.400 1.00 0.00 C ATOM 778 CG GLU A 50 8.386 -11.981 -5.230 1.00 0.00 C ATOM 779 CD GLU A 50 7.574 -13.260 -5.188 1.00 0.00 C ATOM 780 OE1 GLU A 50 6.453 -13.270 -5.739 1.00 0.00 O ATOM 781 OE2 GLU A 50 8.059 -14.252 -4.604 1.00 0.00 O ATOM 0 H GLU A 50 8.632 -8.299 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 50 7.214 -9.948 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.481 -10.556 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.894 -11.258 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.480 -11.649 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.394 -12.183 -4.867 1.00 0.00 H new ATOM 788 N VAL A 51 4.931 -9.689 -5.132 1.00 0.00 N ATOM 789 CA VAL A 51 3.606 -9.254 -4.706 1.00 0.00 C ATOM 790 C VAL A 51 3.434 -9.408 -3.199 1.00 0.00 C ATOM 791 O VAL A 51 2.533 -8.819 -2.602 1.00 0.00 O ATOM 792 CB VAL A 51 2.497 -10.049 -5.422 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.138 -9.416 -5.168 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.783 -10.136 -6.914 1.00 0.00 C ATOM 0 H VAL A 51 4.928 -10.478 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 51 3.518 -8.201 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 51 2.481 -11.061 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.367 -9.991 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.934 -9.410 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.138 -8.393 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.990 -10.701 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.827 -9.132 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.737 -10.638 -7.073 1.00 0.00 H new ATOM 804 N THR A 52 4.306 -10.205 -2.588 1.00 0.00 N ATOM 805 CA THR A 52 4.252 -10.437 -1.151 1.00 0.00 C ATOM 806 C THR A 52 5.095 -9.416 -0.396 1.00 0.00 C ATOM 807 O THR A 52 4.862 -9.156 0.784 1.00 0.00 O ATOM 808 CB THR A 52 4.738 -11.854 -0.792 1.00 0.00 C ATOM 809 OG1 THR A 52 4.784 -12.011 0.630 1.00 0.00 O ATOM 810 CG2 THR A 52 6.116 -12.118 -1.381 1.00 0.00 C ATOM 0 H THR A 52 5.058 -10.700 -3.067 1.00 0.00 H new ATOM 0 HA THR A 52 3.209 -10.332 -0.854 1.00 0.00 H new ATOM 0 HB THR A 52 4.035 -12.573 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.092 -12.915 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.439 -13.124 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.071 -12.027 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.826 -11.392 -0.985 1.00 0.00 H new ATOM 818 N GLU A 53 6.076 -8.841 -1.085 1.00 0.00 N ATOM 819 CA GLU A 53 6.954 -7.848 -0.478 1.00 0.00 C ATOM 820 C GLU A 53 6.186 -6.571 -0.148 1.00 0.00 C ATOM 821 O GLU A 53 6.548 -5.835 0.770 1.00 0.00 O ATOM 822 CB GLU A 53 8.122 -7.527 -1.413 1.00 0.00 C ATOM 823 CG GLU A 53 9.479 -7.583 -0.733 1.00 0.00 C ATOM 824 CD GLU A 53 10.292 -8.793 -1.153 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.370 -9.062 -2.370 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.849 -9.471 -0.264 1.00 0.00 O ATOM 0 H GLU A 53 6.282 -9.046 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 53 7.345 -8.266 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.113 -8.230 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.977 -6.532 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.036 -6.676 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.339 -7.601 0.348 1.00 0.00 H new ATOM 833 N PHE A 54 5.124 -6.314 -0.905 1.00 0.00 N ATOM 834 CA PHE A 54 4.305 -5.126 -0.696 1.00 0.00 C ATOM 835 C PHE A 54 3.305 -5.347 0.435 1.00 0.00 C ATOM 836 O PHE A 54 2.724 -4.397 0.959 1.00 0.00 O ATOM 837 CB PHE A 54 3.563 -4.759 -1.983 1.00 0.00 C ATOM 838 CG PHE A 54 4.375 -4.982 -3.227 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.639 -4.430 -3.354 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.873 -5.745 -4.270 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.387 -4.633 -4.498 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.617 -5.952 -5.416 1.00 0.00 C ATOM 843 CZ PHE A 54 5.876 -5.396 -5.530 1.00 0.00 C ATOM 0 H PHE A 54 4.811 -6.913 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 54 4.965 -4.304 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.648 -5.348 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.266 -3.711 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.045 -3.834 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.889 -6.183 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.371 -4.195 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.214 -6.548 -6.222 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.460 -5.557 -6.424 1.00 0.00 H new ATOM 853 N ALA A 55 3.110 -6.608 0.807 1.00 0.00 N ATOM 854 CA ALA A 55 2.183 -6.955 1.876 1.00 0.00 C ATOM 855 C ALA A 55 2.827 -6.765 3.245 1.00 0.00 C ATOM 856 O ALA A 55 2.200 -7.009 4.276 1.00 0.00 O ATOM 857 CB ALA A 55 1.699 -8.388 1.712 1.00 0.00 C ATOM 0 H ALA A 55 3.582 -7.406 0.383 1.00 0.00 H new ATOM 0 HA ALA A 55 1.326 -6.285 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.007 -8.633 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.191 -8.493 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.552 -9.066 1.747 1.00 0.00 H new ATOM 863 N CYS A 56 4.083 -6.330 3.247 1.00 0.00 N ATOM 864 CA CYS A 56 4.813 -6.110 4.491 1.00 0.00 C ATOM 865 C CYS A 56 5.385 -4.697 4.542 1.00 0.00 C ATOM 866 O CYS A 56 6.164 -4.363 5.435 1.00 0.00 O ATOM 867 CB CYS A 56 5.939 -7.135 4.633 1.00 0.00 C ATOM 868 SG CYS A 56 5.657 -8.367 5.926 1.00 0.00 S ATOM 0 H CYS A 56 4.616 -6.123 2.402 1.00 0.00 H new ATOM 0 HA CYS A 56 4.116 -6.230 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.071 -7.648 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.870 -6.609 4.844 1.00 0.00 H new ATOM 0 HG CYS A 56 6.662 -9.190 5.968 1.00 0.00 H new ATOM 874 N VAL A 57 4.995 -3.871 3.577 1.00 0.00 N ATOM 875 CA VAL A 57 5.469 -2.494 3.511 1.00 0.00 C ATOM 876 C VAL A 57 4.316 -1.508 3.663 1.00 0.00 C ATOM 877 O VAL A 57 4.515 -0.360 4.063 1.00 0.00 O ATOM 878 CB VAL A 57 6.197 -2.214 2.183 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.209 -2.188 1.027 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.969 -0.905 2.265 1.00 0.00 C ATOM 0 H VAL A 57 4.352 -4.132 2.830 1.00 0.00 H new ATOM 0 HA VAL A 57 6.169 -2.361 4.336 1.00 0.00 H new ATOM 0 HB VAL A 57 6.909 -3.019 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.742 -1.989 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.705 -3.152 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.471 -1.404 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.477 -0.723 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.278 -0.087 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.705 -0.966 3.066 1.00 0.00 H new ATOM 890 N VAL A 58 3.109 -1.963 3.343 1.00 0.00 N ATOM 891 CA VAL A 58 1.923 -1.121 3.446 1.00 0.00 C ATOM 892 C VAL A 58 1.188 -1.366 4.759 1.00 0.00 C ATOM 893 O VAL A 58 0.469 -0.496 5.251 1.00 0.00 O ATOM 894 CB VAL A 58 0.955 -1.371 2.274 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.155 -0.330 2.267 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.707 -1.368 0.952 1.00 0.00 C ATOM 0 H VAL A 58 2.927 -2.910 3.010 1.00 0.00 H new ATOM 0 HA VAL A 58 2.264 -0.086 3.412 1.00 0.00 H new ATOM 0 HB VAL A 58 0.500 -2.353 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.829 -0.522 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.711 -0.385 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.279 0.664 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.008 -1.546 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.191 -0.402 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.462 -2.154 0.961 1.00 0.00 H new ATOM 906 N ALA A 59 1.373 -2.556 5.322 1.00 0.00 N ATOM 907 CA ALA A 59 0.730 -2.914 6.579 1.00 0.00 C ATOM 908 C ALA A 59 1.278 -2.081 7.733 1.00 0.00 C ATOM 909 O ALA A 59 0.574 -1.817 8.708 1.00 0.00 O ATOM 910 CB ALA A 59 0.914 -4.398 6.863 1.00 0.00 C ATOM 0 H ALA A 59 1.963 -3.288 4.927 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.335 -2.702 6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.428 -4.651 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.468 -4.981 6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.978 -4.626 6.930 1.00 0.00 H new ATOM 916 N GLU A 60 2.537 -1.672 7.616 1.00 0.00 N ATOM 917 CA GLU A 60 3.179 -0.870 8.651 1.00 0.00 C ATOM 918 C GLU A 60 3.032 0.620 8.355 1.00 0.00 C ATOM 919 O GLU A 60 3.093 1.452 9.259 1.00 0.00 O ATOM 920 CB GLU A 60 4.660 -1.235 8.765 1.00 0.00 C ATOM 921 CG GLU A 60 5.469 -0.891 7.526 1.00 0.00 C ATOM 922 CD GLU A 60 6.483 0.208 7.778 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.135 1.190 8.466 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.624 0.085 7.287 1.00 0.00 O ATOM 0 H GLU A 60 3.133 -1.883 6.815 1.00 0.00 H new ATOM 0 HA GLU A 60 2.685 -1.085 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.088 -0.717 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.748 -2.304 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.986 -1.784 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.793 -0.581 6.730 1.00 0.00 H new ATOM 931 N ALA A 61 2.839 0.947 7.081 1.00 0.00 N ATOM 932 CA ALA A 61 2.682 2.335 6.665 1.00 0.00 C ATOM 933 C ALA A 61 1.249 2.813 6.873 1.00 0.00 C ATOM 934 O ALA A 61 0.914 3.957 6.568 1.00 0.00 O ATOM 935 CB ALA A 61 3.088 2.498 5.208 1.00 0.00 C ATOM 0 H ALA A 61 2.788 0.270 6.320 1.00 0.00 H new ATOM 0 HA ALA A 61 3.335 2.950 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.966 3.539 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.131 2.206 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.459 1.866 4.582 1.00 0.00 H new ATOM 941 N VAL A 62 0.405 1.927 7.394 1.00 0.00 N ATOM 942 CA VAL A 62 -0.993 2.259 7.644 1.00 0.00 C ATOM 943 C VAL A 62 -1.277 2.355 9.139 1.00 0.00 C ATOM 944 O VAL A 62 -2.052 3.202 9.581 1.00 0.00 O ATOM 945 CB VAL A 62 -1.937 1.214 7.019 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.878 1.282 5.501 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.588 -0.182 7.513 1.00 0.00 C ATOM 0 H VAL A 62 0.665 0.975 7.651 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.176 3.228 7.180 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.957 1.439 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.551 0.537 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.181 2.275 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.860 1.083 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.265 -0.907 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.562 -0.421 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.687 -0.219 8.598 1.00 0.00 H new ATOM 957 N VAL A 63 -0.643 1.479 9.913 1.00 0.00 N ATOM 958 CA VAL A 63 -0.826 1.466 11.360 1.00 0.00 C ATOM 959 C VAL A 63 -0.521 2.832 11.965 1.00 0.00 C ATOM 960 O VAL A 63 -1.427 3.564 12.361 1.00 0.00 O ATOM 961 CB VAL A 63 0.072 0.408 12.029 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.066 0.471 13.542 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.267 -0.982 11.512 1.00 0.00 C ATOM 0 H VAL A 63 0.001 0.770 9.563 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.871 1.215 11.545 1.00 0.00 H new ATOM 0 HB VAL A 63 1.110 0.623 11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.575 -0.283 13.998 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.230 1.459 13.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.103 0.282 13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.377 -1.717 11.995 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.309 -1.209 11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.112 -1.017 10.434 1.00 0.00 H new ATOM 973 N LYS A 64 0.763 3.169 12.033 1.00 0.00 N ATOM 974 CA LYS A 64 1.190 4.448 12.588 1.00 0.00 C ATOM 975 C LYS A 64 0.455 5.604 11.917 1.00 0.00 C ATOM 976 O LYS A 64 0.077 6.577 12.572 1.00 0.00 O ATOM 977 CB LYS A 64 2.700 4.622 12.418 1.00 0.00 C ATOM 978 CG LYS A 64 3.182 4.405 10.994 1.00 0.00 C ATOM 979 CD LYS A 64 4.357 3.443 10.943 1.00 0.00 C ATOM 980 CE LYS A 64 5.628 4.086 11.476 1.00 0.00 C ATOM 981 NZ LYS A 64 6.775 3.138 11.468 1.00 0.00 N ATOM 0 H LYS A 64 1.526 2.574 11.710 1.00 0.00 H new ATOM 0 HA LYS A 64 0.948 4.454 13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.980 5.626 12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.214 3.922 13.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.365 4.015 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.474 5.361 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.125 2.553 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.517 3.116 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.874 4.959 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.457 4.440 12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.622 3.615 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.551 2.317 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.955 2.819 10.495 1.00 0.00 H new ATOM 995 N THR A 65 0.255 5.493 10.608 1.00 0.00 N ATOM 996 CA THR A 65 -0.434 6.529 9.849 1.00 0.00 C ATOM 997 C THR A 65 -1.878 6.680 10.312 1.00 0.00 C ATOM 998 O THR A 65 -2.472 7.752 10.184 1.00 0.00 O ATOM 999 CB THR A 65 -0.420 6.222 8.339 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.928 6.200 7.856 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.223 7.260 7.569 1.00 0.00 C ATOM 0 H THR A 65 0.561 4.695 10.051 1.00 0.00 H new ATOM 0 HA THR A 65 0.101 7.461 10.028 1.00 0.00 H new ATOM 0 HB THR A 65 -0.877 5.244 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.990 5.594 7.088 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.199 7.023 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.255 7.254 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.791 8.248 7.730 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.438 5.603 10.850 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.815 5.616 11.333 1.00 0.00 C ATOM 1011 C LEU A 66 -3.877 5.236 12.809 1.00 0.00 C ATOM 1012 O LEU A 66 -4.518 4.253 13.179 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.675 4.656 10.510 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.056 5.131 9.108 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.909 4.900 8.136 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.314 4.422 8.629 1.00 0.00 C ATOM 0 H LEU A 66 -1.960 4.709 10.963 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.204 6.628 11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.142 3.710 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.591 4.454 11.065 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.259 6.201 9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.199 5.244 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.032 5.454 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.674 3.836 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.571 4.772 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.138 3.347 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.136 4.638 9.311 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.209 6.022 13.647 1.00 0.00 N ATOM 1029 CA GLN A 67 -3.190 5.768 15.082 1.00 0.00 C ATOM 1030 C GLN A 67 -3.612 7.009 15.861 1.00 0.00 C ATOM 1031 O GLN A 67 -3.091 7.303 16.937 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.795 5.323 15.525 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.571 3.823 15.415 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.971 3.229 16.674 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.564 2.144 17.158 1.00 0.00 O flip ATOM 1036 NE2 GLN A 67 0.015 3.740 17.206 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.674 6.840 13.356 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.902 4.970 15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.049 5.839 14.920 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.636 5.631 16.558 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.521 3.332 15.203 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.912 3.619 14.571 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.439 4.574 16.800 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.408 3.329 18.053 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.577 7.758 15.305 1.00 0.00 N ATOM 1046 CA PRO A 68 -5.089 8.980 15.931 1.00 0.00 C ATOM 1047 C PRO A 68 -5.902 8.691 17.188 1.00 0.00 C ATOM 1048 O PRO A 68 -5.687 9.305 18.233 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.982 9.586 14.845 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.398 8.428 14.006 1.00 0.00 C ATOM 1051 CD PRO A 68 -5.242 7.467 14.024 1.00 0.00 C ATOM 0 HA PRO A 68 -4.284 9.638 16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.845 10.091 15.279 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.442 10.327 14.256 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.299 7.962 14.404 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.626 8.745 12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.579 6.432 13.972 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.573 7.627 13.178 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.836 7.751 17.081 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.680 7.379 18.210 1.00 0.00 C ATOM 1061 C VAL A 69 -8.169 5.941 18.081 1.00 0.00 C ATOM 1062 O VAL A 69 -9.362 5.694 17.905 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.897 8.315 18.334 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -8.479 9.662 18.902 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.577 8.484 16.983 1.00 0.00 C ATOM 0 H VAL A 69 -7.027 7.233 16.223 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.067 7.472 19.107 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.612 7.865 19.022 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.352 10.310 18.982 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.040 9.520 19.890 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.745 10.123 18.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.435 9.148 17.088 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.871 8.913 16.271 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.913 7.512 16.621 1.00 0.00 H new ATOM 1075 N SER A 70 -7.239 4.995 18.169 1.00 0.00 N ATOM 1076 CA SER A 70 -7.575 3.581 18.059 1.00 0.00 C ATOM 1077 C SER A 70 -8.616 3.186 19.102 1.00 0.00 C ATOM 1078 O SER A 70 -9.361 2.224 18.918 1.00 0.00 O ATOM 1079 CB SER A 70 -6.319 2.722 18.225 1.00 0.00 C ATOM 1080 OG SER A 70 -5.145 3.504 18.087 1.00 0.00 O ATOM 0 H SER A 70 -6.247 5.183 18.316 1.00 0.00 H new ATOM 0 HA SER A 70 -7.996 3.410 17.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.328 2.244 19.205 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.319 1.925 17.481 1.00 0.00 H new ATOM 0 HG SER A 70 -4.357 2.933 18.199 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.661 3.937 20.197 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.611 3.668 21.270 1.00 0.00 C ATOM 1088 C ASP A 71 -11.030 3.552 20.723 1.00 0.00 C ATOM 1089 O ASP A 71 -11.865 2.837 21.278 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.546 4.772 22.326 1.00 0.00 C ATOM 1091 CG ASP A 71 -10.338 6.001 21.928 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -11.581 5.968 22.041 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.715 6.997 21.503 1.00 0.00 O ATOM 0 H ASP A 71 -8.051 4.737 20.365 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.341 2.718 21.732 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.927 4.388 23.272 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.506 5.052 22.491 1.00 0.00 H new ATOM 1098 N LEU A 72 -11.297 4.262 19.632 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.617 4.241 19.010 1.00 0.00 C ATOM 1100 C LEU A 72 -12.766 3.032 18.091 1.00 0.00 C ATOM 1101 O LEU A 72 -13.728 2.270 18.201 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.850 5.529 18.219 1.00 0.00 C ATOM 1103 CG LEU A 72 -13.075 6.794 19.048 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.912 8.035 18.184 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -14.452 6.770 19.696 1.00 0.00 C ATOM 0 H LEU A 72 -10.618 4.859 19.160 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.364 4.168 19.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.991 5.693 17.569 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.716 5.383 17.573 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.325 6.825 19.838 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.076 8.925 18.791 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.905 8.059 17.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.639 8.011 17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.594 7.678 20.282 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.217 6.714 18.922 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.532 5.901 20.349 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.808 2.861 17.187 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.831 1.744 16.250 1.00 0.00 C ATOM 1119 C LEU A 73 -12.031 0.422 16.984 1.00 0.00 C ATOM 1120 O LEU A 73 -12.907 -0.370 16.633 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.531 1.701 15.445 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.393 2.745 14.336 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -10.026 4.100 14.922 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.355 2.305 13.314 1.00 0.00 C ATOM 0 H LEU A 73 -11.005 3.482 17.083 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.669 1.891 15.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.696 1.821 16.135 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.436 0.711 14.998 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.354 2.838 13.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.932 4.831 14.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.805 4.420 15.614 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.078 4.022 15.454 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.271 3.060 12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.390 2.182 13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.660 1.357 12.871 1.00 0.00 H new ATOM 1136 N THR A 74 -11.215 0.189 18.007 1.00 0.00 N ATOM 1137 CA THR A 74 -11.303 -1.036 18.792 1.00 0.00 C ATOM 1138 C THR A 74 -12.706 -1.228 19.356 1.00 0.00 C ATOM 1139 O THR A 74 -13.120 -2.349 19.649 1.00 0.00 O ATOM 1140 CB THR A 74 -10.291 -1.033 19.953 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.134 -0.272 19.592 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.879 -2.452 20.315 1.00 0.00 C ATOM 0 H THR A 74 -10.485 0.833 18.311 1.00 0.00 H new ATOM 0 HA THR A 74 -11.069 -1.861 18.118 1.00 0.00 H new ATOM 0 HB THR A 74 -10.768 -0.578 20.821 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.311 0.681 19.738 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.164 -2.425 21.137 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.759 -3.020 20.618 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.419 -2.929 19.450 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.435 -0.126 19.505 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.793 -0.174 20.035 1.00 0.00 C ATOM 1152 C ASN A 75 -15.810 -0.342 18.910 1.00 0.00 C ATOM 1153 O ASN A 75 -16.886 -0.905 19.110 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.099 1.098 20.828 1.00 0.00 C ATOM 1155 CG ASN A 75 -16.583 1.407 20.875 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.397 0.548 21.213 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -16.941 2.640 20.535 1.00 0.00 N ATOM 0 H ASN A 75 -13.108 0.810 19.266 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.867 -1.035 20.700 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.721 0.989 21.845 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.570 1.939 20.380 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.925 2.907 20.548 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.232 3.320 20.261 1.00 0.00 H new ATOM 1164 N MET A 76 -15.461 0.151 17.726 1.00 0.00 N ATOM 1165 CA MET A 76 -16.342 0.054 16.568 1.00 0.00 C ATOM 1166 C MET A 76 -16.247 -1.327 15.927 1.00 0.00 C ATOM 1167 O MET A 76 -17.165 -1.765 15.233 1.00 0.00 O ATOM 1168 CB MET A 76 -15.991 1.131 15.541 1.00 0.00 C ATOM 1169 CG MET A 76 -16.203 2.548 16.049 1.00 0.00 C ATOM 1170 SD MET A 76 -15.937 3.792 14.771 1.00 0.00 S ATOM 1171 CE MET A 76 -14.148 3.847 14.719 1.00 0.00 C ATOM 0 H MET A 76 -14.575 0.622 17.543 1.00 0.00 H new ATOM 0 HA MET A 76 -17.366 0.208 16.908 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.949 1.012 15.244 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.596 0.980 14.647 1.00 0.00 H new ATOM 0 HG2 MET A 76 -17.217 2.643 16.437 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.525 2.737 16.881 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.827 4.758 14.214 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.754 3.837 15.735 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.773 2.980 14.176 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.131 -2.009 16.163 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.937 -3.333 15.601 1.00 0.00 C ATOM 1183 C GLY A 77 -13.660 -3.438 14.791 1.00 0.00 C ATOM 1184 O GLY A 77 -13.354 -4.494 14.237 1.00 0.00 O ATOM 0 H GLY A 77 -14.357 -1.668 16.734 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.914 -4.066 16.407 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.787 -3.583 14.967 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.915 -2.340 14.720 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.664 -2.314 13.971 1.00 0.00 C ATOM 1190 C ILE A 78 -10.462 -2.365 14.908 1.00 0.00 C ATOM 1191 O ILE A 78 -10.237 -1.448 15.697 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.562 -1.054 13.091 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.650 -1.066 12.016 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.183 -0.963 12.456 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.749 0.229 11.241 1.00 0.00 C ATOM 0 H ILE A 78 -13.155 -1.457 15.171 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.660 -3.196 13.331 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.710 -0.176 13.720 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.453 -1.882 11.321 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.611 -1.273 12.486 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.126 -0.068 11.837 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.425 -0.913 13.238 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.008 -1.843 11.837 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.541 0.148 10.496 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.977 1.046 11.925 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.801 0.428 10.742 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.691 -3.443 14.812 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.508 -3.614 15.648 1.00 0.00 C ATOM 1209 C ASP A 79 -7.283 -2.984 14.992 1.00 0.00 C ATOM 1210 O ASP A 79 -7.037 -3.175 13.800 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.254 -5.099 15.913 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.131 -5.411 17.391 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.707 -4.516 18.153 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.458 -6.549 17.787 1.00 0.00 O ATOM 0 H ASP A 79 -9.864 -4.211 14.164 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.689 -3.110 16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.068 -5.685 15.488 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.341 -5.405 15.403 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.519 -2.233 15.777 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.319 -1.574 15.272 1.00 0.00 C ATOM 1221 C LEU A 80 -4.094 -2.466 15.446 1.00 0.00 C ATOM 1222 O LEU A 80 -3.108 -2.331 14.721 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.102 -0.243 15.995 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.642 0.926 15.124 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.245 0.670 14.580 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.625 1.162 13.985 1.00 0.00 C ATOM 0 H LEU A 80 -6.709 -2.065 16.765 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.459 -1.384 14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.035 0.039 16.483 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.364 -0.396 16.782 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.610 1.823 15.742 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.935 1.513 13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.548 0.552 15.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.250 -0.238 13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.282 1.998 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.690 0.265 13.368 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.608 1.392 14.395 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.164 -3.378 16.409 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.062 -4.294 16.676 1.00 0.00 C ATOM 1240 C ASP A 81 -3.038 -5.427 15.655 1.00 0.00 C ATOM 1241 O ASP A 81 -1.999 -6.044 15.424 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.179 -4.868 18.090 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.112 -4.330 19.023 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.921 -4.374 18.650 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -2.468 -3.865 20.126 1.00 0.00 O ATOM 0 H ASP A 81 -4.973 -3.503 17.018 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.130 -3.735 16.595 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.163 -4.633 18.494 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.104 -5.955 18.045 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.190 -5.694 15.047 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.300 -6.754 14.052 1.00 0.00 C ATOM 1252 C GLU A 82 -3.745 -6.297 12.706 1.00 0.00 C ATOM 1253 O GLU A 82 -3.218 -7.099 11.935 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.760 -7.186 13.894 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.564 -6.285 12.972 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.060 -6.462 13.142 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.469 -7.422 13.829 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.822 -5.642 12.590 1.00 0.00 O ATOM 0 H GLU A 82 -5.059 -5.191 15.226 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.712 -7.604 14.398 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.789 -8.205 13.509 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.234 -7.203 14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.301 -5.245 13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.292 -6.495 11.937 1.00 0.00 H new ATOM 1265 N TRP A 83 -3.867 -5.003 12.432 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.378 -4.438 11.179 1.00 0.00 C ATOM 1267 C TRP A 83 -1.904 -4.769 10.972 1.00 0.00 C ATOM 1268 O TRP A 83 -1.470 -5.038 9.852 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.580 -2.922 11.166 1.00 0.00 C ATOM 1270 CG TRP A 83 -4.974 -2.512 10.802 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.109 -3.262 10.929 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.382 -1.255 10.250 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.197 -2.547 10.489 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.777 -1.313 10.068 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.704 -0.086 9.894 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.504 -0.246 9.545 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.426 0.971 9.374 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.814 0.886 9.205 1.00 0.00 C ATOM 0 H TRP A 83 -4.300 -4.326 13.060 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.949 -4.880 10.362 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.337 -2.522 12.150 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.881 -2.476 10.459 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.146 -4.269 11.318 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.161 -2.881 10.478 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.634 -0.010 10.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.574 -0.310 9.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.912 1.878 9.093 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.350 1.731 8.798 1.00 0.00 H new ATOM 1289 N SER A 84 -1.138 -4.747 12.058 1.00 0.00 N ATOM 1290 CA SER A 84 0.289 -5.041 11.994 1.00 0.00 C ATOM 1291 C SER A 84 0.527 -6.535 11.796 1.00 0.00 C ATOM 1292 O SER A 84 1.577 -6.948 11.303 1.00 0.00 O ATOM 1293 CB SER A 84 0.987 -4.566 13.270 1.00 0.00 C ATOM 1294 OG SER A 84 0.202 -3.605 13.953 1.00 0.00 O ATOM 0 H SER A 84 -1.482 -4.529 12.993 1.00 0.00 H new ATOM 0 HA SER A 84 0.707 -4.508 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.175 -5.418 13.924 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.957 -4.136 13.019 1.00 0.00 H new ATOM 0 HG SER A 84 0.669 -3.319 14.766 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.456 -7.341 12.185 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.355 -8.790 12.051 1.00 0.00 C ATOM 1302 C VAL A 85 -1.480 -9.340 11.182 1.00 0.00 C ATOM 1303 O VAL A 85 -2.037 -10.400 11.467 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.395 -9.485 13.424 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.769 -9.026 14.290 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -1.723 -9.218 14.118 1.00 0.00 C ATOM 0 H VAL A 85 -1.331 -7.015 12.595 1.00 0.00 H new ATOM 0 HA VAL A 85 0.603 -8.998 11.575 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.301 -10.560 13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.724 -9.528 15.256 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.709 -9.273 13.797 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.709 -7.948 14.438 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.734 -9.717 15.087 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.850 -8.145 14.261 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.538 -9.601 13.504 1.00 0.00 H new ATOM 1316 N ALA A 86 -1.810 -8.613 10.119 1.00 0.00 N ATOM 1317 CA ALA A 86 -2.867 -9.030 9.206 1.00 0.00 C ATOM 1318 C ALA A 86 -2.321 -9.255 7.800 1.00 0.00 C ATOM 1319 O ALA A 86 -1.117 -9.142 7.564 1.00 0.00 O ATOM 1320 CB ALA A 86 -3.982 -7.994 9.182 1.00 0.00 C ATOM 0 H ALA A 86 -1.360 -7.732 9.869 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.272 -9.976 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.765 -8.318 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.399 -7.885 10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.582 -7.036 8.849 1.00 0.00 H new ATOM 1326 N THR A 87 -3.213 -9.575 6.868 1.00 0.00 N ATOM 1327 CA THR A 87 -2.820 -9.818 5.486 1.00 0.00 C ATOM 1328 C THR A 87 -3.408 -8.765 4.554 1.00 0.00 C ATOM 1329 O THR A 87 -4.586 -8.420 4.654 1.00 0.00 O ATOM 1330 CB THR A 87 -3.267 -11.213 5.012 1.00 0.00 C ATOM 1331 OG1 THR A 87 -2.741 -11.480 3.707 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.785 -11.315 4.982 1.00 0.00 C ATOM 0 H THR A 87 -4.213 -9.672 7.045 1.00 0.00 H new ATOM 0 HA THR A 87 -1.732 -9.762 5.453 1.00 0.00 H new ATOM 0 HB THR A 87 -2.883 -11.951 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.475 -11.509 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.076 -12.309 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.181 -11.141 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.186 -10.567 4.298 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.582 -8.256 3.646 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.021 -7.241 2.695 1.00 0.00 C ATOM 1342 C PHE A 88 -2.774 -7.697 1.260 1.00 0.00 C ATOM 1343 O PHE A 88 -1.631 -7.784 0.813 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.293 -5.921 2.955 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.986 -5.041 3.956 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.252 -5.501 5.235 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.372 -3.754 3.617 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.889 -4.694 6.159 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.009 -2.942 4.536 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.269 -3.413 5.808 1.00 0.00 C ATOM 0 H PHE A 88 -1.604 -8.530 3.549 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.092 -7.091 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.284 -6.135 3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.193 -5.379 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.958 -6.502 5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.173 -3.381 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.089 -5.064 7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.303 -1.940 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.769 -2.781 6.527 1.00 0.00 H new ATOM 1360 N TYR A 89 -3.855 -7.988 0.544 1.00 0.00 N ATOM 1361 CA TYR A 89 -3.757 -8.438 -0.839 1.00 0.00 C ATOM 1362 C TYR A 89 -3.712 -7.251 -1.796 1.00 0.00 C ATOM 1363 O TYR A 89 -4.645 -6.448 -1.853 1.00 0.00 O ATOM 1364 CB TYR A 89 -4.939 -9.344 -1.187 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.069 -10.546 -0.279 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.660 -10.435 0.973 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -4.599 -11.793 -0.673 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.780 -11.531 1.806 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -4.716 -12.894 0.153 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.307 -12.758 1.391 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.424 -13.852 2.218 1.00 0.00 O ATOM 0 H TYR A 89 -4.809 -7.920 0.899 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.831 -9.003 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.859 -8.761 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -4.833 -9.687 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.032 -9.476 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.134 -11.903 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.242 -11.427 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.346 -13.856 -0.169 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.043 -14.639 1.776 1.00 0.00 H new ATOM 1381 N LEU A 90 -2.622 -7.147 -2.548 1.00 0.00 N ATOM 1382 CA LEU A 90 -2.454 -6.059 -3.505 1.00 0.00 C ATOM 1383 C LEU A 90 -3.126 -6.393 -4.833 1.00 0.00 C ATOM 1384 O LEU A 90 -2.500 -6.951 -5.735 1.00 0.00 O ATOM 1385 CB LEU A 90 -0.967 -5.776 -3.729 1.00 0.00 C ATOM 1386 CG LEU A 90 -0.193 -5.255 -2.518 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.962 -4.136 -1.833 1.00 0.00 C ATOM 1388 CD2 LEU A 90 0.091 -6.386 -1.540 1.00 0.00 C ATOM 0 H LEU A 90 -1.841 -7.803 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.929 -5.169 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.491 -6.694 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.874 -5.048 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 90 0.759 -4.853 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.395 -3.778 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.113 -3.316 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.929 -4.511 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.643 -5.997 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.850 -6.817 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.684 -7.155 -2.035 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.403 -6.046 -4.948 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.160 -6.308 -6.166 1.00 0.00 C ATOM 1402 C PHE A 91 -4.973 -5.179 -7.176 1.00 0.00 C ATOM 1403 O PHE A 91 -4.251 -4.216 -6.919 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.646 -6.476 -5.843 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.026 -7.885 -5.485 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.584 -8.456 -4.302 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.824 -8.637 -6.331 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -6.932 -9.752 -3.971 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.175 -9.934 -6.005 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.729 -10.492 -4.823 1.00 0.00 C ATOM 0 H PHE A 91 -4.936 -5.582 -4.212 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.784 -7.232 -6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.907 -5.816 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.235 -6.157 -6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.961 -7.882 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.176 -8.205 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.581 -10.186 -3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.797 -10.510 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.003 -11.504 -4.565 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.628 -5.307 -8.325 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.535 -4.298 -9.374 1.00 0.00 C ATOM 1422 C ASP A 92 -6.919 -3.935 -9.903 1.00 0.00 C ATOM 1423 O ASP A 92 -7.935 -4.288 -9.304 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.654 -4.802 -10.518 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.316 -5.324 -10.033 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.540 -4.529 -9.461 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.045 -6.528 -10.223 1.00 0.00 O ATOM 0 H ASP A 92 -6.229 -6.099 -8.553 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.084 -3.403 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.177 -5.594 -11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.489 -3.992 -11.229 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.950 -3.227 -11.026 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.209 -2.815 -11.636 1.00 0.00 C ATOM 1434 C ASP A 93 -8.823 -3.958 -12.439 1.00 0.00 C ATOM 1435 O ASP A 93 -9.885 -3.805 -13.041 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.990 -1.601 -12.540 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.084 -1.910 -13.715 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.592 -2.415 -14.739 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -5.868 -1.647 -13.612 1.00 0.00 O ATOM 0 H ASP A 93 -6.118 -2.926 -11.533 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.899 -2.543 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.953 -1.249 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.557 -0.789 -11.955 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.147 -5.102 -12.443 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.626 -6.270 -13.170 1.00 0.00 C ATOM 1446 C ALA A 94 -9.034 -7.384 -12.212 1.00 0.00 C ATOM 1447 O ALA A 94 -9.556 -8.417 -12.631 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.559 -6.765 -14.135 1.00 0.00 C ATOM 0 H ALA A 94 -7.265 -5.244 -11.950 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.507 -5.976 -13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.930 -7.638 -14.671 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.319 -5.976 -14.848 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.662 -7.036 -13.578 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.792 -7.168 -10.923 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.139 -8.163 -9.926 1.00 0.00 C ATOM 1456 C GLY A 95 -8.032 -9.174 -9.705 1.00 0.00 C ATOM 1457 O GLY A 95 -8.261 -10.241 -9.136 1.00 0.00 O ATOM 0 H GLY A 95 -8.362 -6.321 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.365 -7.665 -8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.045 -8.683 -10.237 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.828 -8.839 -10.158 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.681 -9.728 -10.009 1.00 0.00 C ATOM 1463 C GLU A 96 -4.695 -9.177 -8.983 1.00 0.00 C ATOM 1464 O GLU A 96 -4.625 -7.968 -8.762 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.979 -9.922 -11.354 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.456 -8.630 -11.959 1.00 0.00 C ATOM 1467 CD GLU A 96 -4.247 -8.730 -13.458 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.978 -9.848 -13.945 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -4.352 -7.692 -14.143 1.00 0.00 O ATOM 0 H GLU A 96 -6.621 -7.959 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.046 -10.693 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.148 -10.615 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.674 -10.386 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.158 -7.824 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.513 -8.365 -11.481 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.937 -10.072 -8.359 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.956 -9.675 -7.355 1.00 0.00 C ATOM 1478 C GLU A 97 -1.595 -9.419 -7.996 1.00 0.00 C ATOM 1479 O GLU A 97 -0.665 -10.209 -7.840 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.830 -10.755 -6.279 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.317 -10.230 -4.948 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.971 -10.912 -3.761 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -4.185 -11.197 -3.836 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.269 -11.161 -2.759 1.00 0.00 O ATOM 0 H GLU A 97 -3.983 -11.076 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.300 -8.750 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.804 -11.219 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.158 -11.535 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.238 -10.374 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.498 -9.157 -4.891 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.488 -8.309 -8.719 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.242 -7.948 -9.385 1.00 0.00 C ATOM 1493 C ASN A 98 0.182 -6.529 -9.016 1.00 0.00 C ATOM 1494 O ASN A 98 -0.444 -5.882 -8.176 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.397 -8.067 -10.903 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.739 -9.479 -11.340 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.570 -9.594 -12.369 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 -0.260 -10.453 -10.759 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.249 -7.644 -8.859 1.00 0.00 H new ATOM 0 HA ASN A 98 0.532 -8.638 -9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.178 -7.386 -11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.529 -7.754 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.375 -10.316 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.498 -11.397 -11.064 1.00 0.00 H new ATOM 1505 N PHE A 99 1.247 -6.052 -9.650 1.00 0.00 N ATOM 1506 CA PHE A 99 1.755 -4.710 -9.389 1.00 0.00 C ATOM 1507 C PHE A 99 1.559 -3.808 -10.604 1.00 0.00 C ATOM 1508 O PHE A 99 2.522 -3.278 -11.159 1.00 0.00 O ATOM 1509 CB PHE A 99 3.237 -4.766 -9.015 1.00 0.00 C ATOM 1510 CG PHE A 99 4.039 -5.696 -9.880 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.138 -7.043 -9.567 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.694 -5.225 -11.006 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.874 -7.901 -10.361 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.431 -6.079 -11.804 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.523 -7.418 -11.481 1.00 0.00 C ATOM 0 H PHE A 99 1.776 -6.574 -10.349 1.00 0.00 H new ATOM 0 HA PHE A 99 1.193 -4.292 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.659 -3.763 -9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.329 -5.079 -7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.634 -7.426 -8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.628 -4.178 -11.263 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.942 -8.948 -10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.935 -5.699 -12.680 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.101 -8.086 -12.102 1.00 0.00 H new ATOM 1525 N SER A 100 0.306 -3.639 -11.013 1.00 0.00 N ATOM 1526 CA SER A 100 -0.017 -2.805 -12.165 1.00 0.00 C ATOM 1527 C SER A 100 -0.019 -1.328 -11.783 1.00 0.00 C ATOM 1528 O SER A 100 0.378 -0.961 -10.677 1.00 0.00 O ATOM 1529 CB SER A 100 -1.380 -3.197 -12.739 1.00 0.00 C ATOM 1530 OG SER A 100 -2.414 -2.971 -11.797 1.00 0.00 O ATOM 0 H SER A 100 -0.503 -4.069 -10.564 1.00 0.00 H new ATOM 0 HA SER A 100 0.749 -2.965 -12.924 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.576 -2.622 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.369 -4.249 -13.026 1.00 0.00 H new ATOM 0 HG SER A 100 -3.136 -2.460 -12.220 1.00 0.00 H new ATOM 1536 N SER A 101 -0.468 -0.485 -12.707 1.00 0.00 N ATOM 1537 CA SER A 101 -0.518 0.953 -12.470 1.00 0.00 C ATOM 1538 C SER A 101 -1.230 1.262 -11.157 1.00 0.00 C ATOM 1539 O SER A 101 -0.849 2.183 -10.434 1.00 0.00 O ATOM 1540 CB SER A 101 -1.230 1.657 -13.627 1.00 0.00 C ATOM 1541 OG SER A 101 -0.535 2.830 -14.015 1.00 0.00 O ATOM 0 H SER A 101 -0.802 -0.773 -13.627 1.00 0.00 H new ATOM 0 HA SER A 101 0.506 1.322 -12.404 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.308 0.979 -14.477 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.247 1.914 -13.330 1.00 0.00 H new ATOM 0 HG SER A 101 -1.009 3.261 -14.757 1.00 0.00 H new ATOM 1547 N ARG A 102 -2.266 0.486 -10.855 1.00 0.00 N ATOM 1548 CA ARG A 102 -3.032 0.677 -9.630 1.00 0.00 C ATOM 1549 C ARG A 102 -2.965 -0.566 -8.747 1.00 0.00 C ATOM 1550 O ARG A 102 -3.115 -1.689 -9.228 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.490 1.003 -9.961 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.361 1.212 -8.733 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.640 2.687 -8.492 1.00 0.00 C ATOM 1554 NE ARG A 102 -4.414 3.481 -8.478 1.00 0.00 N ATOM 1555 CZ ARG A 102 -4.386 4.793 -8.681 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -5.511 5.456 -8.911 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -3.231 5.446 -8.652 1.00 0.00 N ATOM 0 H ARG A 102 -2.594 -0.281 -11.442 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.595 1.513 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.522 1.902 -10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.908 0.193 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.303 0.678 -8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.868 0.786 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.306 3.062 -9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.160 2.807 -7.542 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.531 3.001 -8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.401 4.958 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.486 6.464 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.363 4.940 -8.474 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.211 6.454 -8.808 1.00 0.00 H new ATOM 1571 N MET A 103 -2.740 -0.356 -7.454 1.00 0.00 N ATOM 1572 CA MET A 103 -2.653 -1.459 -6.505 1.00 0.00 C ATOM 1573 C MET A 103 -3.645 -1.270 -5.361 1.00 0.00 C ATOM 1574 O MET A 103 -3.388 -0.516 -4.422 1.00 0.00 O ATOM 1575 CB MET A 103 -1.232 -1.573 -5.950 1.00 0.00 C ATOM 1576 CG MET A 103 -0.285 -2.341 -6.858 1.00 0.00 C ATOM 1577 SD MET A 103 1.418 -2.313 -6.268 1.00 0.00 S ATOM 1578 CE MET A 103 1.691 -4.052 -5.938 1.00 0.00 C ATOM 0 H MET A 103 -2.615 0.568 -7.040 1.00 0.00 H new ATOM 0 HA MET A 103 -2.903 -2.380 -7.032 1.00 0.00 H new ATOM 0 HB2 MET A 103 -0.833 -0.572 -5.786 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.269 -2.065 -4.978 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.621 -3.375 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.325 -1.916 -7.861 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.676 -4.341 -6.304 1.00 0.00 H new ATOM 0 HE2 MET A 103 1.635 -4.232 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.928 -4.643 -6.445 1.00 0.00 H new ATOM 1588 N TYR A 104 -4.777 -1.960 -5.446 1.00 0.00 N ATOM 1589 CA TYR A 104 -5.808 -1.865 -4.419 1.00 0.00 C ATOM 1590 C TYR A 104 -5.449 -2.719 -3.207 1.00 0.00 C ATOM 1591 O TYR A 104 -4.581 -3.591 -3.282 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.160 -2.304 -4.982 1.00 0.00 C ATOM 1593 CG TYR A 104 -7.793 -1.283 -5.901 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -7.813 0.065 -5.565 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.371 -1.666 -7.105 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.390 1.001 -6.401 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.949 -0.737 -7.948 1.00 0.00 C ATOM 1598 CZ TYR A 104 -8.956 0.595 -7.592 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.532 1.524 -8.428 1.00 0.00 O ATOM 0 H TYR A 104 -5.004 -2.591 -6.215 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.874 -0.824 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.031 -3.240 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.840 -2.507 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.370 0.387 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.368 -2.709 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.398 2.045 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.393 -1.052 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.883 1.074 -9.225 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.122 -2.463 -2.090 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.875 -3.207 -0.861 1.00 0.00 C ATOM 1611 C CYS A 105 -7.101 -4.022 -0.463 1.00 0.00 C ATOM 1612 O CYS A 105 -7.901 -3.593 0.368 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.494 -2.251 0.271 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.587 -0.820 0.428 1.00 0.00 S ATOM 0 H CYS A 105 -6.843 -1.746 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.048 -3.893 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.495 -2.801 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.475 -1.900 0.108 1.00 0.00 H new ATOM 0 HG CYS A 105 -5.907 0.200 0.861 1.00 0.00 H new ATOM 1620 N SER A 106 -7.243 -5.200 -1.063 1.00 0.00 N ATOM 1621 CA SER A 106 -8.375 -6.073 -0.776 1.00 0.00 C ATOM 1622 C SER A 106 -8.048 -7.026 0.370 1.00 0.00 C ATOM 1623 O SER A 106 -6.926 -7.522 0.480 1.00 0.00 O ATOM 1624 CB SER A 106 -8.761 -6.870 -2.023 1.00 0.00 C ATOM 1625 OG SER A 106 -9.851 -6.266 -2.697 1.00 0.00 O ATOM 0 H SER A 106 -6.588 -5.572 -1.751 1.00 0.00 H new ATOM 0 HA SER A 106 -9.218 -5.449 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.905 -6.936 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.024 -7.889 -1.740 1.00 0.00 H new ATOM 0 HG SER A 106 -9.918 -5.325 -2.433 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.037 -7.279 1.221 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.856 -8.172 2.360 1.00 0.00 C ATOM 1633 C PHE A 107 -9.361 -9.575 2.036 1.00 0.00 C ATOM 1634 O PHE A 107 -10.178 -10.136 2.767 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.588 -7.624 3.586 1.00 0.00 C ATOM 1636 CG PHE A 107 -8.762 -6.672 4.403 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -7.825 -5.851 3.796 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -8.922 -6.597 5.777 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -7.063 -4.974 4.545 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -8.163 -5.722 6.531 1.00 0.00 C ATOM 1641 CZ PHE A 107 -7.233 -4.909 5.914 1.00 0.00 C ATOM 0 H PHE A 107 -9.972 -6.878 1.144 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.790 -8.230 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.496 -7.117 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.897 -8.457 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.689 -5.897 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -9.649 -7.230 6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.335 -4.340 4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -8.297 -5.674 7.602 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.640 -4.224 6.501 1.00 0.00 H new ATOM 1651 N TYR A 108 -8.870 -10.135 0.936 1.00 0.00 N ATOM 1652 CA TYR A 108 -9.273 -11.471 0.513 1.00 0.00 C ATOM 1653 C TYR A 108 -8.470 -11.922 -0.702 1.00 0.00 C ATOM 1654 O TYR A 108 -7.968 -11.113 -1.483 1.00 0.00 O ATOM 1655 CB TYR A 108 -10.767 -11.496 0.190 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.141 -10.661 -1.015 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.248 -9.279 -0.919 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.387 -11.254 -2.247 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.589 -8.512 -2.017 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.727 -10.495 -3.349 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.827 -9.125 -3.229 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.168 -8.365 -4.325 1.00 0.00 O ATOM 0 H TYR A 108 -8.192 -9.684 0.321 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.074 -12.161 1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.075 -12.527 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.323 -11.138 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.062 -8.796 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.311 -12.327 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.669 -7.439 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.914 -10.972 -4.300 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.301 -8.950 -5.100 1.00 0.00 H new ATOM 1672 N PRO A 109 -8.345 -13.248 -0.869 1.00 0.00 N ATOM 1673 CA PRO A 109 -7.605 -13.839 -1.988 1.00 0.00 C ATOM 1674 C PRO A 109 -8.316 -13.640 -3.322 1.00 0.00 C ATOM 1675 O PRO A 109 -9.476 -13.232 -3.380 1.00 0.00 O ATOM 1676 CB PRO A 109 -7.549 -15.326 -1.629 1.00 0.00 C ATOM 1677 CG PRO A 109 -8.729 -15.548 -0.747 1.00 0.00 C ATOM 1678 CD PRO A 109 -8.917 -14.271 0.023 1.00 0.00 C ATOM 0 HA PRO A 109 -6.625 -13.380 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.598 -15.951 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.620 -15.575 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.616 -15.784 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.560 -16.388 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.969 -14.079 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.402 -14.301 0.983 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.605 -13.934 -4.421 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.149 -13.795 -5.775 1.00 0.00 C ATOM 1688 C PRO A 110 -9.227 -14.831 -6.076 1.00 0.00 C ATOM 1689 O PRO A 110 -10.265 -14.510 -6.656 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.929 -14.019 -6.672 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.004 -14.851 -5.853 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.217 -14.425 -4.426 1.00 0.00 C ATOM 0 HA PRO A 110 -8.633 -12.829 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.205 -14.527 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.466 -13.073 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.218 -15.912 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.968 -14.696 -6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.082 -15.256 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.514 -13.646 -4.130 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.975 -16.073 -5.678 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.926 -17.156 -5.903 1.00 0.00 C ATOM 1702 C ASP A 111 -9.388 -18.474 -5.356 1.00 0.00 C ATOM 1703 O ASP A 111 -10.148 -19.314 -4.876 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.229 -17.295 -7.396 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.672 -16.971 -7.726 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.275 -16.145 -7.009 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.200 -17.542 -8.703 1.00 0.00 O ATOM 0 H ASP A 111 -8.120 -16.355 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.848 -16.913 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.573 -16.632 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.006 -18.313 -7.716 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.072 -18.648 -5.433 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.433 -19.865 -4.947 1.00 0.00 C ATOM 1714 C GLU A 112 -7.850 -20.161 -3.509 1.00 0.00 C ATOM 1715 O GLU A 112 -8.152 -19.250 -2.740 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.911 -19.738 -5.032 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.246 -20.876 -5.788 1.00 0.00 C ATOM 1718 CD GLU A 112 -5.333 -20.706 -7.293 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -4.484 -19.984 -7.857 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -6.248 -21.294 -7.905 1.00 0.00 O ATOM 0 H GLU A 112 -7.428 -17.962 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.757 -20.692 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.660 -18.795 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.502 -19.695 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.199 -20.940 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.715 -21.818 -5.505 1.00 0.00 H new