USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 18 TYR OH : rot 180:sc= -0.0446 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=-0.045,f=-0.045) USER MOD Single : A 1 SER N :NH3+ -150:sc=0.000684 (180deg=0) USER MOD Single : A 1 SER OG : rot 53:sc= 0.716 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.323 K(o=-0.32,f=-0.91) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 28:sc= 0.455 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.6) USER MOD Single : A 26 THR OG1 : rot 159:sc= 0.321 USER MOD Single : A 38 ASN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.12 K(o=-1.1,f=-9.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-3.7!) USER MOD Single : A 51 SER OG : rot -24:sc= 0.111 USER MOD Single : A 52 THR OG1 : rot 58:sc= 0.116 USER MOD Single : A 58 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.9!) USER MOD Single : A 70 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD Single : A 76 THR OG1 : rot -81:sc= -0.461 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.129 17.675 9.363 1.00 0.00 N ATOM 2 CA SER A 1 -21.310 16.866 8.968 1.00 0.00 C ATOM 3 C SER A 1 -20.884 15.487 8.465 1.00 0.00 C ATOM 4 O SER A 1 -20.793 15.261 7.258 1.00 0.00 O ATOM 5 CB SER A 1 -22.107 17.594 7.882 1.00 0.00 C ATOM 6 OG SER A 1 -21.306 17.839 6.739 1.00 0.00 O ATOM 0 H1 SER A 1 -20.396 18.331 10.124 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.373 17.045 9.699 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.789 18.217 8.543 1.00 0.00 H new ATOM 0 HA SER A 1 -21.940 16.732 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.974 16.997 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.484 18.538 8.275 1.00 0.00 H new ATOM 0 HG SER A 1 -20.899 17.000 6.439 1.00 0.00 H new ATOM 11 N PRO A 2 -20.614 14.544 9.388 1.00 0.00 N ATOM 12 CA PRO A 2 -20.193 13.185 9.032 1.00 0.00 C ATOM 13 C PRO A 2 -21.191 12.488 8.114 1.00 0.00 C ATOM 14 O PRO A 2 -22.285 12.113 8.538 1.00 0.00 O ATOM 15 CB PRO A 2 -20.108 12.455 10.381 1.00 0.00 C ATOM 16 CG PRO A 2 -20.849 13.318 11.346 1.00 0.00 C ATOM 17 CD PRO A 2 -20.695 14.723 10.847 1.00 0.00 C ATOM 0 HA PRO A 2 -19.252 13.191 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.554 11.462 10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.071 12.320 10.690 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.900 13.035 11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.444 13.215 12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.541 15.348 11.131 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.799 15.198 11.247 1.00 0.00 H new ATOM 25 N ALA A 3 -20.806 12.321 6.852 1.00 0.00 N ATOM 26 CA ALA A 3 -21.660 11.664 5.869 1.00 0.00 C ATOM 27 C ALA A 3 -21.140 10.268 5.548 1.00 0.00 C ATOM 28 O ALA A 3 -20.107 10.116 4.895 1.00 0.00 O ATOM 29 CB ALA A 3 -21.746 12.502 4.603 1.00 0.00 C ATOM 0 H ALA A 3 -19.906 12.632 6.486 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.659 11.566 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -22.386 12.000 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -22.165 13.480 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -20.749 12.627 4.181 1.00 0.00 H new ATOM 35 N ALA A 4 -21.860 9.251 6.009 1.00 0.00 N ATOM 36 CA ALA A 4 -21.462 7.868 5.779 1.00 0.00 C ATOM 37 C ALA A 4 -22.202 7.261 4.590 1.00 0.00 C ATOM 38 O ALA A 4 -21.585 6.688 3.693 1.00 0.00 O ATOM 39 CB ALA A 4 -21.703 7.037 7.029 1.00 0.00 C ATOM 0 H ALA A 4 -22.722 9.359 6.544 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.397 7.863 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.402 6.006 6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.119 7.443 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.762 7.065 7.286 1.00 0.00 H new ATOM 45 N MET A 5 -23.526 7.392 4.587 1.00 0.00 N ATOM 46 CA MET A 5 -24.342 6.842 3.510 1.00 0.00 C ATOM 47 C MET A 5 -24.866 7.942 2.591 1.00 0.00 C ATOM 48 O MET A 5 -25.550 7.663 1.605 1.00 0.00 O ATOM 49 CB MET A 5 -25.515 6.047 4.086 1.00 0.00 C ATOM 50 CG MET A 5 -25.095 4.965 5.067 1.00 0.00 C ATOM 51 SD MET A 5 -23.966 3.764 4.337 1.00 0.00 S ATOM 52 CE MET A 5 -23.684 2.676 5.731 1.00 0.00 C ATOM 0 H MET A 5 -24.054 7.872 5.315 1.00 0.00 H new ATOM 0 HA MET A 5 -23.709 6.178 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.197 6.734 4.586 1.00 0.00 H new ATOM 0 HB3 MET A 5 -26.069 5.588 3.267 1.00 0.00 H new ATOM 0 HG2 MET A 5 -24.617 5.429 5.930 1.00 0.00 H new ATOM 0 HG3 MET A 5 -25.982 4.448 5.433 1.00 0.00 H new ATOM 0 HE1 MET A 5 -23.003 1.878 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 5 -23.246 3.243 6.552 1.00 0.00 H new ATOM 0 HE3 MET A 5 -24.632 2.244 6.053 1.00 0.00 H new ATOM 62 N GLU A 6 -24.545 9.190 2.917 1.00 0.00 N ATOM 63 CA GLU A 6 -24.989 10.326 2.113 1.00 0.00 C ATOM 64 C GLU A 6 -24.061 10.539 0.919 1.00 0.00 C ATOM 65 O GLU A 6 -24.440 10.280 -0.224 1.00 0.00 O ATOM 66 CB GLU A 6 -25.046 11.593 2.970 1.00 0.00 C ATOM 67 CG GLU A 6 -25.881 11.444 4.233 1.00 0.00 C ATOM 68 CD GLU A 6 -26.098 12.765 4.944 1.00 0.00 C ATOM 69 OE1 GLU A 6 -25.226 13.155 5.749 1.00 0.00 O ATOM 70 OE2 GLU A 6 -27.139 13.409 4.696 1.00 0.00 O ATOM 0 H GLU A 6 -23.981 9.441 3.729 1.00 0.00 H new ATOM 0 HA GLU A 6 -25.989 10.109 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.031 11.878 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -25.453 12.408 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -26.847 11.010 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -25.388 10.747 4.911 1.00 0.00 H new ATOM 77 N ARG A 7 -22.849 11.014 1.189 1.00 0.00 N ATOM 78 CA ARG A 7 -21.868 11.252 0.145 1.00 0.00 C ATOM 79 C ARG A 7 -20.463 10.926 0.636 1.00 0.00 C ATOM 80 O ARG A 7 -19.978 11.512 1.603 1.00 0.00 O ATOM 81 CB ARG A 7 -21.929 12.705 -0.346 1.00 0.00 C ATOM 82 CG ARG A 7 -21.941 13.734 0.775 1.00 0.00 C ATOM 83 CD ARG A 7 -23.360 14.118 1.167 1.00 0.00 C ATOM 84 NE ARG A 7 -24.040 14.855 0.106 1.00 0.00 N ATOM 85 CZ ARG A 7 -25.272 15.341 0.217 1.00 0.00 C ATOM 86 NH1 ARG A 7 -25.960 15.165 1.338 1.00 0.00 N ATOM 87 NH2 ARG A 7 -25.818 16.000 -0.795 1.00 0.00 N ATOM 0 H ARG A 7 -22.525 11.242 2.129 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.108 10.594 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.072 12.896 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -22.823 12.835 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -21.419 13.333 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.397 14.624 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -23.927 13.218 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.334 14.726 2.072 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.541 15.006 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -25.543 14.656 2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -26.905 15.539 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -25.293 16.134 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -26.764 16.373 -0.710 1.00 0.00 H new ATOM 101 N GLN A 8 -19.816 9.984 -0.040 1.00 0.00 N ATOM 102 CA GLN A 8 -18.468 9.568 0.318 1.00 0.00 C ATOM 103 C GLN A 8 -17.424 10.428 -0.390 1.00 0.00 C ATOM 104 O GLN A 8 -17.530 10.689 -1.589 1.00 0.00 O ATOM 105 CB GLN A 8 -18.270 8.095 -0.041 1.00 0.00 C ATOM 106 CG GLN A 8 -18.970 7.131 0.905 1.00 0.00 C ATOM 107 CD GLN A 8 -18.596 7.362 2.357 1.00 0.00 C ATOM 108 OE1 GLN A 8 -19.235 8.146 3.057 1.00 0.00 O ATOM 109 NE2 GLN A 8 -17.556 6.676 2.817 1.00 0.00 N ATOM 0 H GLN A 8 -20.207 9.492 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.340 9.698 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -18.636 7.925 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.203 7.873 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.049 7.235 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -18.717 6.108 0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.054 6.036 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.259 6.789 3.786 1.00 0.00 H new ATOM 118 N VAL A 9 -16.416 10.865 0.360 1.00 0.00 N ATOM 119 CA VAL A 9 -15.352 11.697 -0.193 1.00 0.00 C ATOM 120 C VAL A 9 -14.171 10.838 -0.660 1.00 0.00 C ATOM 121 O VAL A 9 -13.968 9.730 -0.160 1.00 0.00 O ATOM 122 CB VAL A 9 -14.875 12.751 0.841 1.00 0.00 C ATOM 123 CG1 VAL A 9 -13.399 12.586 1.183 1.00 0.00 C ATOM 124 CG2 VAL A 9 -15.157 14.159 0.336 1.00 0.00 C ATOM 0 H VAL A 9 -16.314 10.656 1.353 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.759 12.223 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.440 12.588 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.107 13.344 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.232 11.595 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.801 12.701 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.816 14.885 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.629 14.321 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.228 14.280 0.176 1.00 0.00 H new ATOM 134 N PRO A 10 -13.382 11.342 -1.630 1.00 0.00 N ATOM 135 CA PRO A 10 -12.219 10.627 -2.166 1.00 0.00 C ATOM 136 C PRO A 10 -11.334 10.031 -1.074 1.00 0.00 C ATOM 137 O PRO A 10 -10.937 10.721 -0.135 1.00 0.00 O ATOM 138 CB PRO A 10 -11.461 11.712 -2.924 1.00 0.00 C ATOM 139 CG PRO A 10 -12.508 12.687 -3.346 1.00 0.00 C ATOM 140 CD PRO A 10 -13.570 12.655 -2.279 1.00 0.00 C ATOM 0 HA PRO A 10 -12.517 9.777 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.711 12.186 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.936 11.299 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.089 13.688 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.924 12.416 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.448 13.473 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.568 12.750 -2.706 1.00 0.00 H new ATOM 148 N TYR A 11 -11.034 8.741 -1.207 1.00 0.00 N ATOM 149 CA TYR A 11 -10.196 8.038 -0.245 1.00 0.00 C ATOM 150 C TYR A 11 -8.861 8.749 -0.046 1.00 0.00 C ATOM 151 O TYR A 11 -8.383 9.455 -0.934 1.00 0.00 O ATOM 152 CB TYR A 11 -9.950 6.605 -0.716 1.00 0.00 C ATOM 153 CG TYR A 11 -9.434 5.698 0.370 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.303 5.112 1.278 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.078 5.429 0.491 1.00 0.00 C ATOM 156 CE1 TYR A 11 -9.838 4.284 2.276 1.00 0.00 C ATOM 157 CE2 TYR A 11 -7.603 4.600 1.486 1.00 0.00 C ATOM 158 CZ TYR A 11 -8.487 4.029 2.378 1.00 0.00 C ATOM 159 OH TYR A 11 -8.019 3.204 3.375 1.00 0.00 O ATOM 0 H TYR A 11 -11.363 8.160 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.721 8.025 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.880 6.195 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.234 6.619 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.362 5.308 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.383 5.876 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.529 3.837 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.545 4.399 1.566 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.044 3.128 3.306 1.00 0.00 H new ATOM 169 N THR A 12 -8.265 8.551 1.126 1.00 0.00 N ATOM 170 CA THR A 12 -6.981 9.162 1.452 1.00 0.00 C ATOM 171 C THR A 12 -5.935 8.093 1.770 1.00 0.00 C ATOM 172 O THR A 12 -5.810 7.664 2.917 1.00 0.00 O ATOM 173 CB THR A 12 -7.109 10.116 2.656 1.00 0.00 C ATOM 174 OG1 THR A 12 -8.177 11.043 2.435 1.00 0.00 O ATOM 175 CG2 THR A 12 -5.812 10.880 2.885 1.00 0.00 C ATOM 0 H THR A 12 -8.653 7.969 1.869 1.00 0.00 H new ATOM 0 HA THR A 12 -6.663 9.731 0.579 1.00 0.00 H new ATOM 0 HB THR A 12 -7.322 9.517 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.253 11.644 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.928 11.546 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.004 10.175 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.574 11.467 1.998 1.00 0.00 H new ATOM 183 N PRO A 13 -5.171 7.643 0.753 1.00 0.00 N ATOM 184 CA PRO A 13 -4.135 6.614 0.931 1.00 0.00 C ATOM 185 C PRO A 13 -3.148 6.951 2.045 1.00 0.00 C ATOM 186 O PRO A 13 -3.225 8.020 2.653 1.00 0.00 O ATOM 187 CB PRO A 13 -3.421 6.586 -0.423 1.00 0.00 C ATOM 188 CG PRO A 13 -4.437 7.076 -1.393 1.00 0.00 C ATOM 189 CD PRO A 13 -5.257 8.094 -0.650 1.00 0.00 C ATOM 0 HA PRO A 13 -4.569 5.658 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.537 7.224 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.086 5.579 -0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.961 7.520 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.061 6.258 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.857 9.100 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.288 8.115 -1.003 1.00 0.00 H new ATOM 197 N CYS A 14 -2.224 6.024 2.306 1.00 0.00 N ATOM 198 CA CYS A 14 -1.214 6.206 3.354 1.00 0.00 C ATOM 199 C CYS A 14 -0.683 7.637 3.348 1.00 0.00 C ATOM 200 O CYS A 14 -0.161 8.115 2.341 1.00 0.00 O ATOM 201 CB CYS A 14 -0.057 5.201 3.178 1.00 0.00 C ATOM 202 SG CYS A 14 1.606 5.945 3.225 1.00 0.00 S ATOM 0 H CYS A 14 -2.153 5.138 1.806 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.688 6.019 4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.126 4.447 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.183 4.684 2.226 1.00 0.00 H new ATOM 207 N SER A 15 -0.832 8.318 4.480 1.00 0.00 N ATOM 208 CA SER A 15 -0.374 9.697 4.611 1.00 0.00 C ATOM 209 C SER A 15 0.982 9.719 5.296 1.00 0.00 C ATOM 210 O SER A 15 1.116 9.309 6.450 1.00 0.00 O ATOM 211 CB SER A 15 -1.383 10.526 5.406 1.00 0.00 C ATOM 212 OG SER A 15 -1.594 9.975 6.695 1.00 0.00 O ATOM 0 H SER A 15 -1.267 7.937 5.320 1.00 0.00 H new ATOM 0 HA SER A 15 -0.282 10.135 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.023 11.551 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.329 10.569 4.866 1.00 0.00 H new ATOM 0 HG SER A 15 -0.789 9.494 6.981 1.00 0.00 H new ATOM 218 N GLY A 16 1.984 10.200 4.578 1.00 0.00 N ATOM 219 CA GLY A 16 3.318 10.232 5.103 1.00 0.00 C ATOM 220 C GLY A 16 4.341 10.677 4.077 1.00 0.00 C ATOM 221 O GLY A 16 4.019 11.380 3.119 1.00 0.00 O ATOM 0 H GLY A 16 1.888 10.571 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.351 10.906 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.584 9.240 5.468 1.00 0.00 H new ATOM 225 N LEU A 17 5.583 10.256 4.296 1.00 0.00 N ATOM 226 CA LEU A 17 6.684 10.557 3.397 1.00 0.00 C ATOM 227 C LEU A 17 6.495 9.862 2.049 1.00 0.00 C ATOM 228 O LEU A 17 6.784 10.431 0.997 1.00 0.00 O ATOM 229 CB LEU A 17 7.997 10.088 4.044 1.00 0.00 C ATOM 230 CG LEU A 17 9.272 10.763 3.538 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.618 10.292 2.131 1.00 0.00 C ATOM 232 CD2 LEU A 17 9.100 12.269 3.581 1.00 0.00 C ATOM 0 H LEU A 17 5.851 9.695 5.105 1.00 0.00 H new ATOM 0 HA LEU A 17 6.714 11.632 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.927 10.249 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.092 9.013 3.888 1.00 0.00 H new ATOM 0 HG LEU A 17 10.101 10.484 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.529 10.788 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.773 9.213 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.800 10.538 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.009 12.750 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.261 12.558 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.906 12.584 4.606 1.00 0.00 H new ATOM 244 N TYR A 18 5.992 8.632 2.094 1.00 0.00 N ATOM 245 CA TYR A 18 5.795 7.839 0.880 1.00 0.00 C ATOM 246 C TYR A 18 4.534 8.253 0.131 1.00 0.00 C ATOM 247 O TYR A 18 4.518 8.329 -1.098 1.00 0.00 O ATOM 248 CB TYR A 18 5.695 6.370 1.283 1.00 0.00 C ATOM 249 CG TYR A 18 6.171 6.108 2.698 1.00 0.00 C ATOM 250 CD1 TYR A 18 7.516 6.206 3.019 1.00 0.00 C ATOM 251 CD2 TYR A 18 5.275 5.777 3.712 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.962 5.982 4.305 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.715 5.549 5.004 1.00 0.00 C ATOM 254 CZ TYR A 18 7.060 5.653 5.294 1.00 0.00 C ATOM 255 OH TYR A 18 7.502 5.431 6.577 1.00 0.00 O ATOM 0 H TYR A 18 5.713 8.162 2.955 1.00 0.00 H new ATOM 0 HA TYR A 18 6.639 8.004 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.660 6.043 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.284 5.769 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.228 6.462 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.222 5.697 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.014 6.064 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.010 5.291 5.781 1.00 0.00 H new ATOM 0 HH TYR A 18 6.740 5.210 7.152 1.00 0.00 H new ATOM 265 N GLY A 19 3.501 8.540 0.897 1.00 0.00 N ATOM 266 CA GLY A 19 2.231 9.009 0.356 1.00 0.00 C ATOM 267 C GLY A 19 1.579 8.086 -0.672 1.00 0.00 C ATOM 268 O GLY A 19 0.415 8.290 -1.019 1.00 0.00 O ATOM 0 H GLY A 19 3.513 8.456 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.535 9.155 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.389 9.984 -0.104 1.00 0.00 H new ATOM 272 N THR A 20 2.300 7.074 -1.165 1.00 0.00 N ATOM 273 CA THR A 20 1.744 6.182 -2.179 1.00 0.00 C ATOM 274 C THR A 20 1.380 4.814 -1.612 1.00 0.00 C ATOM 275 O THR A 20 2.183 4.173 -0.937 1.00 0.00 O ATOM 276 CB THR A 20 2.726 5.983 -3.348 1.00 0.00 C ATOM 277 OG1 THR A 20 3.291 7.241 -3.735 1.00 0.00 O ATOM 278 CG2 THR A 20 2.014 5.357 -4.537 1.00 0.00 C ATOM 0 H THR A 20 3.255 6.856 -0.882 1.00 0.00 H new ATOM 0 HA THR A 20 0.835 6.666 -2.537 1.00 0.00 H new ATOM 0 HB THR A 20 3.523 5.316 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.915 7.104 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.721 5.223 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.605 4.389 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.204 6.010 -4.861 1.00 0.00 H new ATOM 286 N ALA A 21 0.166 4.367 -1.919 1.00 0.00 N ATOM 287 CA ALA A 21 -0.321 3.074 -1.453 1.00 0.00 C ATOM 288 C ALA A 21 -0.220 2.033 -2.562 1.00 0.00 C ATOM 289 O ALA A 21 -1.079 1.968 -3.440 1.00 0.00 O ATOM 290 CB ALA A 21 -1.760 3.196 -0.969 1.00 0.00 C ATOM 0 H ALA A 21 -0.501 4.885 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 21 0.302 2.749 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.111 2.224 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.808 3.912 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.391 3.540 -1.788 1.00 0.00 H new ATOM 296 N GLN A 22 0.827 1.214 -2.512 1.00 0.00 N ATOM 297 CA GLN A 22 1.041 0.186 -3.524 1.00 0.00 C ATOM 298 C GLN A 22 1.213 -1.187 -2.881 1.00 0.00 C ATOM 299 O GLN A 22 1.064 -1.340 -1.669 1.00 0.00 O ATOM 300 CB GLN A 22 2.282 0.516 -4.358 1.00 0.00 C ATOM 301 CG GLN A 22 2.291 1.924 -4.934 1.00 0.00 C ATOM 302 CD GLN A 22 1.360 2.084 -6.121 1.00 0.00 C ATOM 303 OE1 GLN A 22 1.745 1.832 -7.263 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.133 2.519 -5.860 1.00 0.00 N ATOM 0 H GLN A 22 1.539 1.243 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 22 0.163 0.163 -4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.168 0.384 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.356 -0.200 -5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.004 2.631 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.306 2.180 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.145 2.716 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.532 2.656 -6.621 1.00 0.00 H new ATOM 313 N CYS A 23 1.526 -2.182 -3.707 1.00 0.00 N ATOM 314 CA CYS A 23 1.729 -3.545 -3.229 1.00 0.00 C ATOM 315 C CYS A 23 2.971 -4.152 -3.873 1.00 0.00 C ATOM 316 O CYS A 23 2.967 -4.476 -5.061 1.00 0.00 O ATOM 317 CB CYS A 23 0.509 -4.415 -3.545 1.00 0.00 C ATOM 318 SG CYS A 23 -1.067 -3.752 -2.917 1.00 0.00 S ATOM 0 H CYS A 23 1.645 -2.068 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 23 1.866 -3.509 -2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.434 -4.536 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.666 -5.408 -3.123 1.00 0.00 H new ATOM 323 N CYS A 24 4.033 -4.303 -3.088 1.00 0.00 N ATOM 324 CA CYS A 24 5.277 -4.868 -3.596 1.00 0.00 C ATOM 325 C CYS A 24 5.840 -5.919 -2.634 1.00 0.00 C ATOM 326 O CYS A 24 5.614 -5.855 -1.425 1.00 0.00 O ATOM 327 CB CYS A 24 6.300 -3.755 -3.857 1.00 0.00 C ATOM 328 SG CYS A 24 5.816 -2.119 -3.225 1.00 0.00 S ATOM 0 H CYS A 24 4.057 -4.043 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 24 5.065 -5.368 -4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.250 -4.039 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.469 -3.680 -4.931 1.00 0.00 H new ATOM 333 N ALA A 25 6.574 -6.884 -3.190 1.00 0.00 N ATOM 334 CA ALA A 25 7.161 -7.970 -2.421 1.00 0.00 C ATOM 335 C ALA A 25 8.347 -7.494 -1.595 1.00 0.00 C ATOM 336 O ALA A 25 8.828 -6.374 -1.763 1.00 0.00 O ATOM 337 CB ALA A 25 7.588 -9.084 -3.368 1.00 0.00 C ATOM 0 H ALA A 25 6.776 -6.930 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 25 6.410 -8.345 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.029 -9.900 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.718 -9.452 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.323 -8.699 -4.075 1.00 0.00 H new ATOM 343 N THR A 26 8.810 -8.360 -0.704 1.00 0.00 N ATOM 344 CA THR A 26 9.939 -8.041 0.161 1.00 0.00 C ATOM 345 C THR A 26 11.036 -9.099 0.068 1.00 0.00 C ATOM 346 O THR A 26 10.783 -10.238 -0.326 1.00 0.00 O ATOM 347 CB THR A 26 9.509 -7.897 1.631 1.00 0.00 C ATOM 348 OG1 THR A 26 10.585 -7.350 2.399 1.00 0.00 O ATOM 349 CG2 THR A 26 9.103 -9.242 2.214 1.00 0.00 C ATOM 0 H THR A 26 8.420 -9.292 -0.561 1.00 0.00 H new ATOM 0 HA THR A 26 10.331 -7.086 -0.190 1.00 0.00 H new ATOM 0 HB THR A 26 8.650 -7.228 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.231 -6.956 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.803 -9.112 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.268 -9.648 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.947 -9.930 2.163 1.00 0.00 H new ATOM 357 N ASP A 27 12.255 -8.711 0.435 1.00 0.00 N ATOM 358 CA ASP A 27 13.398 -9.614 0.382 1.00 0.00 C ATOM 359 C ASP A 27 13.384 -10.601 1.546 1.00 0.00 C ATOM 360 O ASP A 27 12.400 -10.704 2.279 1.00 0.00 O ATOM 361 CB ASP A 27 14.703 -8.816 0.392 1.00 0.00 C ATOM 362 CG ASP A 27 15.112 -8.387 1.786 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.328 -7.672 2.439 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.219 -8.766 2.223 1.00 0.00 O ATOM 0 H ASP A 27 12.475 -7.774 0.773 1.00 0.00 H new ATOM 0 HA ASP A 27 13.329 -10.183 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.497 -9.420 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.590 -7.933 -0.237 1.00 0.00 H new ATOM 369 N VAL A 28 14.486 -11.321 1.701 1.00 0.00 N ATOM 370 CA VAL A 28 14.624 -12.312 2.759 1.00 0.00 C ATOM 371 C VAL A 28 14.624 -11.689 4.154 1.00 0.00 C ATOM 372 O VAL A 28 13.936 -12.170 5.054 1.00 0.00 O ATOM 373 CB VAL A 28 15.911 -13.134 2.575 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.737 -14.108 1.426 1.00 0.00 C ATOM 375 CG2 VAL A 28 17.107 -12.225 2.333 1.00 0.00 C ATOM 0 H VAL A 28 15.306 -11.236 1.100 1.00 0.00 H new ATOM 0 HA VAL A 28 13.753 -12.962 2.680 1.00 0.00 H new ATOM 0 HB VAL A 28 16.101 -13.696 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.651 -14.688 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.907 -14.781 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.528 -13.556 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.004 -12.831 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.938 -11.633 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.236 -11.559 3.186 1.00 0.00 H new ATOM 385 N LEU A 29 15.390 -10.616 4.329 1.00 0.00 N ATOM 386 CA LEU A 29 15.492 -9.955 5.625 1.00 0.00 C ATOM 387 C LEU A 29 14.244 -9.126 5.936 1.00 0.00 C ATOM 388 O LEU A 29 13.980 -8.803 7.094 1.00 0.00 O ATOM 389 CB LEU A 29 16.745 -9.083 5.663 1.00 0.00 C ATOM 390 CG LEU A 29 18.023 -9.802 5.237 1.00 0.00 C ATOM 391 CD1 LEU A 29 19.168 -8.814 5.083 1.00 0.00 C ATOM 392 CD2 LEU A 29 18.375 -10.881 6.249 1.00 0.00 C ATOM 0 H LEU A 29 15.948 -10.187 3.591 1.00 0.00 H new ATOM 0 HA LEU A 29 15.568 -10.723 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.593 -8.221 5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.877 -8.701 6.675 1.00 0.00 H new ATOM 0 HG LEU A 29 17.853 -10.274 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.069 -9.346 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.911 -8.074 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.346 -8.312 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.288 -11.389 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.529 -10.426 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.561 -11.603 6.309 1.00 0.00 H new ATOM 404 N GLY A 30 13.479 -8.787 4.901 1.00 0.00 N ATOM 405 CA GLY A 30 12.261 -8.014 5.097 1.00 0.00 C ATOM 406 C GLY A 30 12.349 -6.588 4.574 1.00 0.00 C ATOM 407 O GLY A 30 11.319 -5.940 4.376 1.00 0.00 O ATOM 0 H GLY A 30 13.679 -9.033 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.435 -8.523 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.026 -7.987 6.161 1.00 0.00 H new ATOM 411 N VAL A 31 13.562 -6.084 4.358 1.00 0.00 N ATOM 412 CA VAL A 31 13.737 -4.728 3.850 1.00 0.00 C ATOM 413 C VAL A 31 14.054 -4.739 2.357 1.00 0.00 C ATOM 414 O VAL A 31 15.159 -5.101 1.954 1.00 0.00 O ATOM 415 CB VAL A 31 14.860 -3.987 4.598 1.00 0.00 C ATOM 416 CG1 VAL A 31 14.973 -2.550 4.109 1.00 0.00 C ATOM 417 CG2 VAL A 31 14.619 -4.030 6.100 1.00 0.00 C ATOM 0 H VAL A 31 14.431 -6.591 4.526 1.00 0.00 H new ATOM 0 HA VAL A 31 12.796 -4.203 4.016 1.00 0.00 H new ATOM 0 HB VAL A 31 15.804 -4.491 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.772 -2.043 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.197 -2.545 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.031 -2.031 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.423 -3.501 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.666 -3.553 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.595 -5.067 6.435 1.00 0.00 H new ATOM 427 N ALA A 32 13.079 -4.322 1.547 1.00 0.00 N ATOM 428 CA ALA A 32 13.241 -4.271 0.096 1.00 0.00 C ATOM 429 C ALA A 32 11.942 -3.853 -0.586 1.00 0.00 C ATOM 430 O ALA A 32 10.900 -3.736 0.058 1.00 0.00 O ATOM 431 CB ALA A 32 13.695 -5.622 -0.441 1.00 0.00 C ATOM 0 H ALA A 32 12.164 -4.013 1.876 1.00 0.00 H new ATOM 0 HA ALA A 32 14.005 -3.526 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.810 -5.563 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.650 -5.891 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.951 -6.380 -0.196 1.00 0.00 H new ATOM 437 N ASP A 33 12.019 -3.630 -1.893 1.00 0.00 N ATOM 438 CA ASP A 33 10.858 -3.237 -2.682 1.00 0.00 C ATOM 439 C ASP A 33 10.897 -3.927 -4.044 1.00 0.00 C ATOM 440 O ASP A 33 11.368 -3.355 -5.028 1.00 0.00 O ATOM 441 CB ASP A 33 10.824 -1.714 -2.855 1.00 0.00 C ATOM 442 CG ASP A 33 9.669 -1.251 -3.722 1.00 0.00 C ATOM 443 OD1 ASP A 33 9.848 -1.167 -4.955 1.00 0.00 O ATOM 444 OD2 ASP A 33 8.587 -0.971 -3.167 1.00 0.00 O ATOM 0 H ASP A 33 12.881 -3.716 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 33 9.953 -3.545 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.750 -1.242 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.762 -1.381 -3.299 1.00 0.00 H new ATOM 449 N LEU A 34 10.402 -5.161 -4.091 1.00 0.00 N ATOM 450 CA LEU A 34 10.401 -5.940 -5.323 1.00 0.00 C ATOM 451 C LEU A 34 9.014 -6.001 -5.949 1.00 0.00 C ATOM 452 O LEU A 34 8.025 -6.230 -5.260 1.00 0.00 O ATOM 453 CB LEU A 34 10.884 -7.357 -5.027 1.00 0.00 C ATOM 454 CG LEU A 34 11.870 -7.458 -3.867 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.007 -8.895 -3.395 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.220 -6.898 -4.278 1.00 0.00 C ATOM 0 H LEU A 34 9.996 -5.642 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 34 11.070 -5.451 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.020 -7.984 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.354 -7.762 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 34 11.485 -6.868 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.715 -8.940 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.036 -9.263 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.368 -9.515 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.916 -6.975 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.606 -7.465 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.109 -5.852 -4.562 1.00 0.00 H new ATOM 468 N ASP A 35 8.955 -5.797 -7.258 1.00 0.00 N ATOM 469 CA ASP A 35 7.694 -5.854 -7.991 1.00 0.00 C ATOM 470 C ASP A 35 6.620 -4.972 -7.353 1.00 0.00 C ATOM 471 O ASP A 35 5.793 -5.451 -6.577 1.00 0.00 O ATOM 472 CB ASP A 35 7.204 -7.305 -8.063 1.00 0.00 C ATOM 473 CG ASP A 35 8.097 -8.175 -8.926 1.00 0.00 C ATOM 474 OD1 ASP A 35 9.102 -8.698 -8.400 1.00 0.00 O ATOM 475 OD2 ASP A 35 7.792 -8.334 -10.126 1.00 0.00 O ATOM 0 H ASP A 35 9.768 -5.590 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 35 7.876 -5.473 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.159 -7.721 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.189 -7.324 -8.461 1.00 0.00 H new ATOM 480 N CYS A 36 6.630 -3.684 -7.690 1.00 0.00 N ATOM 481 CA CYS A 36 5.632 -2.746 -7.150 1.00 0.00 C ATOM 482 C CYS A 36 4.862 -2.060 -8.274 1.00 0.00 C ATOM 483 O CYS A 36 5.443 -1.655 -9.281 1.00 0.00 O ATOM 484 CB CYS A 36 6.266 -1.684 -6.230 1.00 0.00 C ATOM 485 SG CYS A 36 5.162 -1.132 -4.883 1.00 0.00 S ATOM 0 H CYS A 36 7.307 -3.264 -8.327 1.00 0.00 H new ATOM 0 HA CYS A 36 4.941 -3.339 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.180 -2.090 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.554 -0.821 -6.830 1.00 0.00 H new ATOM 490 N ALA A 37 3.549 -1.934 -8.094 1.00 0.00 N ATOM 491 CA ALA A 37 2.691 -1.300 -9.089 1.00 0.00 C ATOM 492 C ALA A 37 1.380 -0.840 -8.463 1.00 0.00 C ATOM 493 O ALA A 37 1.170 -0.990 -7.260 1.00 0.00 O ATOM 494 CB ALA A 37 2.418 -2.261 -10.235 1.00 0.00 C ATOM 0 H ALA A 37 3.056 -2.264 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 37 3.209 -0.423 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.777 -1.776 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.360 -2.544 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.921 -3.152 -9.852 1.00 0.00 H new ATOM 500 N ASN A 38 0.502 -0.275 -9.286 1.00 0.00 N ATOM 501 CA ASN A 38 -0.791 0.204 -8.809 1.00 0.00 C ATOM 502 C ASN A 38 -1.661 -0.961 -8.334 1.00 0.00 C ATOM 503 O ASN A 38 -1.902 -1.906 -9.085 1.00 0.00 O ATOM 504 CB ASN A 38 -1.515 0.974 -9.915 1.00 0.00 C ATOM 505 CG ASN A 38 -0.739 2.195 -10.371 1.00 0.00 C ATOM 506 OD1 ASN A 38 -0.928 3.294 -9.849 1.00 0.00 O ATOM 507 ND2 ASN A 38 0.141 2.010 -11.349 1.00 0.00 N ATOM 0 H ASN A 38 0.662 -0.138 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.613 0.872 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.681 0.313 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.497 1.284 -9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.691 2.796 -11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.266 1.082 -11.754 1.00 0.00 H new ATOM 514 N PRO A 39 -2.146 -0.912 -7.077 1.00 0.00 N ATOM 515 CA PRO A 39 -2.990 -1.967 -6.519 1.00 0.00 C ATOM 516 C PRO A 39 -4.465 -1.762 -6.858 1.00 0.00 C ATOM 517 O PRO A 39 -5.038 -0.724 -6.529 1.00 0.00 O ATOM 518 CB PRO A 39 -2.764 -1.809 -5.021 1.00 0.00 C ATOM 519 CG PRO A 39 -2.536 -0.350 -4.824 1.00 0.00 C ATOM 520 CD PRO A 39 -1.909 0.168 -6.097 1.00 0.00 C ATOM 0 HA PRO A 39 -2.743 -2.954 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.627 -2.155 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.906 -2.392 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.475 0.164 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.882 -0.172 -3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.368 1.104 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.844 0.363 -5.967 1.00 0.00 H new ATOM 528 N PRO A 40 -5.108 -2.742 -7.522 1.00 0.00 N ATOM 529 CA PRO A 40 -6.510 -2.633 -7.894 1.00 0.00 C ATOM 530 C PRO A 40 -7.442 -3.204 -6.831 1.00 0.00 C ATOM 531 O PRO A 40 -7.450 -4.410 -6.581 1.00 0.00 O ATOM 532 CB PRO A 40 -6.559 -3.486 -9.156 1.00 0.00 C ATOM 533 CG PRO A 40 -5.569 -4.584 -8.904 1.00 0.00 C ATOM 534 CD PRO A 40 -4.534 -4.030 -7.951 1.00 0.00 C ATOM 0 HA PRO A 40 -6.838 -1.601 -8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.559 -3.884 -9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.292 -2.905 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.061 -5.457 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.104 -4.906 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.371 -4.697 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.570 -3.895 -8.441 1.00 0.00 H new ATOM 542 N ALA A 41 -8.231 -2.331 -6.213 1.00 0.00 N ATOM 543 CA ALA A 41 -9.184 -2.747 -5.192 1.00 0.00 C ATOM 544 C ALA A 41 -10.031 -1.572 -4.730 1.00 0.00 C ATOM 545 O ALA A 41 -9.856 -0.445 -5.195 1.00 0.00 O ATOM 546 CB ALA A 41 -8.460 -3.370 -4.008 1.00 0.00 C ATOM 0 H ALA A 41 -8.229 -1.329 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.844 -3.495 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.188 -3.674 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.898 -4.242 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.775 -2.641 -3.576 1.00 0.00 H new ATOM 552 N THR A 42 -10.948 -1.842 -3.811 1.00 0.00 N ATOM 553 CA THR A 42 -11.790 -0.805 -3.248 1.00 0.00 C ATOM 554 C THR A 42 -11.335 -0.520 -1.822 1.00 0.00 C ATOM 555 O THR A 42 -11.841 -1.114 -0.869 1.00 0.00 O ATOM 556 CB THR A 42 -13.265 -1.229 -3.243 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.661 -1.640 -4.556 1.00 0.00 O ATOM 558 CG2 THR A 42 -14.142 -0.081 -2.779 1.00 0.00 C ATOM 0 H THR A 42 -11.125 -2.776 -3.441 1.00 0.00 H new ATOM 0 HA THR A 42 -11.699 0.091 -3.862 1.00 0.00 H new ATOM 0 HB THR A 42 -13.384 -2.065 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.603 -1.911 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.185 -0.396 -2.781 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.853 0.213 -1.770 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.018 0.767 -3.453 1.00 0.00 H new ATOM 566 N LEU A 43 -10.378 0.394 -1.683 1.00 0.00 N ATOM 567 CA LEU A 43 -9.834 0.732 -0.370 1.00 0.00 C ATOM 568 C LEU A 43 -10.901 1.342 0.535 1.00 0.00 C ATOM 569 O LEU A 43 -11.494 2.369 0.205 1.00 0.00 O ATOM 570 CB LEU A 43 -8.640 1.691 -0.495 1.00 0.00 C ATOM 571 CG LEU A 43 -7.556 1.285 -1.506 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.266 2.050 -1.237 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.301 -0.216 -1.467 1.00 0.00 C ATOM 0 H LEU A 43 -9.965 0.912 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.489 -0.197 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.017 2.676 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.175 1.792 0.486 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.914 1.539 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.508 1.751 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.452 3.120 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.914 1.826 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.530 -0.473 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.970 -0.503 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.221 -0.748 -1.711 1.00 0.00 H new ATOM 585 N ALA A 44 -11.138 0.701 1.678 1.00 0.00 N ATOM 586 CA ALA A 44 -12.134 1.176 2.633 1.00 0.00 C ATOM 587 C ALA A 44 -11.512 1.479 3.994 1.00 0.00 C ATOM 588 O ALA A 44 -11.935 2.405 4.685 1.00 0.00 O ATOM 589 CB ALA A 44 -13.251 0.157 2.779 1.00 0.00 C ATOM 0 H ALA A 44 -10.653 -0.149 1.964 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.548 2.107 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.987 0.524 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.730 0.002 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.838 -0.787 3.135 1.00 0.00 H new ATOM 595 N ASN A 45 -10.504 0.695 4.376 1.00 0.00 N ATOM 596 CA ASN A 45 -9.833 0.886 5.656 1.00 0.00 C ATOM 597 C ASN A 45 -8.481 0.174 5.684 1.00 0.00 C ATOM 598 O ASN A 45 -8.074 -0.442 4.699 1.00 0.00 O ATOM 599 CB ASN A 45 -10.723 0.404 6.814 1.00 0.00 C ATOM 600 CG ASN A 45 -10.696 -1.106 7.019 1.00 0.00 C ATOM 601 OD1 ASN A 45 -9.751 -1.643 7.595 1.00 0.00 O ATOM 602 ND2 ASN A 45 -11.744 -1.800 6.572 1.00 0.00 N ATOM 0 H ASN A 45 -10.137 -0.075 3.817 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.652 1.954 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.403 0.893 7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.750 0.718 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.780 -2.811 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.509 -1.320 6.099 1.00 0.00 H new ATOM 609 N ALA A 46 -7.787 0.270 6.820 1.00 0.00 N ATOM 610 CA ALA A 46 -6.472 -0.351 6.983 1.00 0.00 C ATOM 611 C ALA A 46 -6.483 -1.821 6.582 1.00 0.00 C ATOM 612 O ALA A 46 -5.754 -2.231 5.678 1.00 0.00 O ATOM 613 CB ALA A 46 -5.995 -0.205 8.420 1.00 0.00 C ATOM 0 H ALA A 46 -8.116 0.774 7.643 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.781 0.167 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.016 -0.671 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.923 0.853 8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.704 -0.692 9.090 1.00 0.00 H new ATOM 619 N THR A 47 -7.311 -2.608 7.257 1.00 0.00 N ATOM 620 CA THR A 47 -7.412 -4.028 6.980 1.00 0.00 C ATOM 621 C THR A 47 -7.851 -4.267 5.542 1.00 0.00 C ATOM 622 O THR A 47 -7.401 -5.214 4.894 1.00 0.00 O ATOM 623 CB THR A 47 -8.403 -4.696 7.948 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.876 -4.679 9.280 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.695 -6.127 7.533 1.00 0.00 C ATOM 0 H THR A 47 -7.924 -2.281 8.004 1.00 0.00 H new ATOM 0 HA THR A 47 -6.426 -4.471 7.122 1.00 0.00 H new ATOM 0 HB THR A 47 -9.335 -4.132 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.514 -5.105 9.890 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.398 -6.573 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.128 -6.135 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.769 -6.702 7.532 1.00 0.00 H new ATOM 633 N HIS A 48 -8.728 -3.403 5.048 1.00 0.00 N ATOM 634 CA HIS A 48 -9.216 -3.515 3.683 1.00 0.00 C ATOM 635 C HIS A 48 -8.062 -3.346 2.703 1.00 0.00 C ATOM 636 O HIS A 48 -8.053 -3.942 1.626 1.00 0.00 O ATOM 637 CB HIS A 48 -10.292 -2.465 3.416 1.00 0.00 C ATOM 638 CG HIS A 48 -11.314 -2.900 2.412 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.664 -2.960 2.688 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.178 -3.299 1.125 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.313 -3.377 1.616 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.434 -3.589 0.654 1.00 0.00 N ATOM 0 H HIS A 48 -9.115 -2.618 5.573 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.655 -4.504 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.794 -2.224 4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.816 -1.549 3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.253 -3.375 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.381 -3.520 1.539 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.653 -3.916 -0.287 1.00 0.00 H new ATOM 651 N PHE A 49 -7.089 -2.524 3.090 1.00 0.00 N ATOM 652 CA PHE A 49 -5.916 -2.283 2.259 1.00 0.00 C ATOM 653 C PHE A 49 -5.022 -3.520 2.242 1.00 0.00 C ATOM 654 O PHE A 49 -4.445 -3.866 1.211 1.00 0.00 O ATOM 655 CB PHE A 49 -5.135 -1.067 2.772 1.00 0.00 C ATOM 656 CG PHE A 49 -3.924 -0.727 1.945 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.971 -0.783 0.559 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.737 -0.355 2.555 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.858 -0.473 -0.199 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.622 -0.044 1.802 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.682 -0.104 0.423 1.00 0.00 C ATOM 0 H PHE A 49 -7.091 -2.015 3.974 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.247 -2.075 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.800 -0.204 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.821 -1.256 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.888 -1.072 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.683 -0.308 3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.908 -0.519 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.704 0.246 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.810 0.137 -0.167 1.00 0.00 H new ATOM 671 N GLU A 50 -4.908 -4.181 3.395 1.00 0.00 N ATOM 672 CA GLU A 50 -4.099 -5.391 3.501 1.00 0.00 C ATOM 673 C GLU A 50 -4.671 -6.485 2.607 1.00 0.00 C ATOM 674 O GLU A 50 -3.938 -7.319 2.076 1.00 0.00 O ATOM 675 CB GLU A 50 -4.055 -5.873 4.954 1.00 0.00 C ATOM 676 CG GLU A 50 -3.280 -7.169 5.144 1.00 0.00 C ATOM 677 CD GLU A 50 -3.358 -7.693 6.565 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.408 -8.261 6.931 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.368 -7.540 7.310 1.00 0.00 O ATOM 0 H GLU A 50 -5.364 -3.899 4.263 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.084 -5.162 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.604 -5.096 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.075 -6.014 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.669 -7.924 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.236 -7.006 4.878 1.00 0.00 H new ATOM 686 N SER A 51 -5.991 -6.471 2.447 1.00 0.00 N ATOM 687 CA SER A 51 -6.680 -7.453 1.618 1.00 0.00 C ATOM 688 C SER A 51 -6.484 -7.149 0.134 1.00 0.00 C ATOM 689 O SER A 51 -6.771 -7.984 -0.723 1.00 0.00 O ATOM 690 CB SER A 51 -8.177 -7.472 1.957 1.00 0.00 C ATOM 691 OG SER A 51 -8.851 -8.488 1.233 1.00 0.00 O ATOM 0 H SER A 51 -6.607 -5.786 2.884 1.00 0.00 H new ATOM 0 HA SER A 51 -6.253 -8.434 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.309 -7.635 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.618 -6.502 1.725 1.00 0.00 H new ATOM 0 HG SER A 51 -8.349 -8.696 0.417 1.00 0.00 H new ATOM 697 N THR A 52 -5.991 -5.949 -0.162 1.00 0.00 N ATOM 698 CA THR A 52 -5.755 -5.537 -1.542 1.00 0.00 C ATOM 699 C THR A 52 -4.475 -6.156 -2.087 1.00 0.00 C ATOM 700 O THR A 52 -4.440 -6.644 -3.218 1.00 0.00 O ATOM 701 CB THR A 52 -5.658 -4.003 -1.662 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.902 -3.401 -1.285 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.295 -3.586 -3.081 1.00 0.00 C ATOM 0 H THR A 52 -5.747 -5.246 0.535 1.00 0.00 H new ATOM 0 HA THR A 52 -6.605 -5.888 -2.127 1.00 0.00 H new ATOM 0 HB THR A 52 -4.870 -3.661 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.126 -3.660 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.234 -2.499 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.332 -4.018 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.060 -3.942 -3.772 1.00 0.00 H new ATOM 711 N CYS A 53 -3.424 -6.132 -1.276 1.00 0.00 N ATOM 712 CA CYS A 53 -2.137 -6.683 -1.677 1.00 0.00 C ATOM 713 C CYS A 53 -2.097 -8.191 -1.459 1.00 0.00 C ATOM 714 O CYS A 53 -1.379 -8.902 -2.155 1.00 0.00 O ATOM 715 CB CYS A 53 -1.005 -6.016 -0.895 1.00 0.00 C ATOM 716 SG CYS A 53 -1.039 -4.196 -0.940 1.00 0.00 S ATOM 0 H CYS A 53 -3.439 -5.736 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.003 -6.483 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.054 -6.344 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.051 -6.360 -1.294 1.00 0.00 H new ATOM 721 N ALA A 54 -2.887 -8.674 -0.503 1.00 0.00 N ATOM 722 CA ALA A 54 -2.930 -10.093 -0.190 1.00 0.00 C ATOM 723 C ALA A 54 -3.713 -10.840 -1.253 1.00 0.00 C ATOM 724 O ALA A 54 -3.584 -12.054 -1.413 1.00 0.00 O ATOM 725 CB ALA A 54 -3.554 -10.304 1.178 1.00 0.00 C ATOM 0 H ALA A 54 -3.506 -8.098 0.068 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.913 -10.484 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.582 -11.370 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.960 -9.788 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.569 -9.905 1.181 1.00 0.00 H new ATOM 731 N ALA A 55 -4.526 -10.086 -1.974 1.00 0.00 N ATOM 732 CA ALA A 55 -5.356 -10.624 -3.031 1.00 0.00 C ATOM 733 C ALA A 55 -4.527 -11.180 -4.184 1.00 0.00 C ATOM 734 O ALA A 55 -4.883 -12.198 -4.779 1.00 0.00 O ATOM 735 CB ALA A 55 -6.281 -9.537 -3.531 1.00 0.00 C ATOM 0 H ALA A 55 -4.627 -9.080 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.934 -11.454 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.911 -9.933 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.909 -9.189 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.691 -8.705 -3.915 1.00 0.00 H new ATOM 741 N ILE A 56 -3.421 -10.510 -4.495 1.00 0.00 N ATOM 742 CA ILE A 56 -2.561 -10.932 -5.595 1.00 0.00 C ATOM 743 C ILE A 56 -1.260 -11.583 -5.118 1.00 0.00 C ATOM 744 O ILE A 56 -0.345 -11.800 -5.913 1.00 0.00 O ATOM 745 CB ILE A 56 -2.243 -9.752 -6.536 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.989 -8.473 -5.729 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.386 -9.556 -7.523 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.821 -7.231 -6.585 1.00 0.00 C ATOM 0 H ILE A 56 -3.101 -9.676 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.122 -11.689 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.336 -9.979 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.819 -8.318 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.093 -8.609 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.156 -8.721 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.516 -10.463 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.305 -9.344 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.645 -6.368 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.972 -7.364 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.725 -7.068 -7.172 1.00 0.00 H new ATOM 760 N GLY A 57 -1.176 -11.892 -3.825 1.00 0.00 N ATOM 761 CA GLY A 57 0.014 -12.551 -3.297 1.00 0.00 C ATOM 762 C GLY A 57 1.100 -11.595 -2.825 1.00 0.00 C ATOM 763 O GLY A 57 2.285 -11.846 -3.050 1.00 0.00 O ATOM 0 H GLY A 57 -1.903 -11.701 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.278 -13.191 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.428 -13.201 -4.068 1.00 0.00 H new ATOM 767 N GLN A 58 0.710 -10.507 -2.167 1.00 0.00 N ATOM 768 CA GLN A 58 1.676 -9.532 -1.659 1.00 0.00 C ATOM 769 C GLN A 58 1.168 -8.872 -0.378 1.00 0.00 C ATOM 770 O GLN A 58 0.094 -9.210 0.120 1.00 0.00 O ATOM 771 CB GLN A 58 1.976 -8.472 -2.720 1.00 0.00 C ATOM 772 CG GLN A 58 2.963 -8.946 -3.780 1.00 0.00 C ATOM 773 CD GLN A 58 3.036 -8.016 -4.975 1.00 0.00 C ATOM 774 OE1 GLN A 58 3.855 -7.101 -5.015 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.174 -8.247 -5.958 1.00 0.00 N ATOM 0 H GLN A 58 -0.264 -10.277 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 58 2.598 -10.063 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.045 -8.179 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.375 -7.582 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.953 -9.034 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.676 -9.942 -4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.511 -9.018 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.175 -7.653 -6.787 1.00 0.00 H new ATOM 784 N ARG A 59 1.950 -7.936 0.154 1.00 0.00 N ATOM 785 CA ARG A 59 1.581 -7.238 1.388 1.00 0.00 C ATOM 786 C ARG A 59 1.533 -5.723 1.173 1.00 0.00 C ATOM 787 O ARG A 59 2.197 -5.191 0.282 1.00 0.00 O ATOM 788 CB ARG A 59 2.579 -7.580 2.503 1.00 0.00 C ATOM 789 CG ARG A 59 3.013 -9.042 2.519 1.00 0.00 C ATOM 790 CD ARG A 59 4.197 -9.261 3.446 1.00 0.00 C ATOM 791 NE ARG A 59 3.895 -8.881 4.823 1.00 0.00 N ATOM 792 CZ ARG A 59 4.761 -8.992 5.825 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.978 -9.472 5.604 1.00 0.00 N ATOM 794 NH2 ARG A 59 4.412 -8.623 7.050 1.00 0.00 N ATOM 0 H ARG A 59 2.841 -7.642 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 59 0.585 -7.570 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.462 -6.951 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.131 -7.334 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.179 -9.667 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.277 -9.355 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.491 -10.310 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.048 -8.681 3.089 1.00 0.00 H new ATOM 0 HE ARG A 59 2.967 -8.509 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.251 -9.757 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.641 -9.556 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.478 -8.253 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.078 -8.709 7.818 1.00 0.00 H new ATOM 808 N ALA A 60 0.742 -5.036 2.001 1.00 0.00 N ATOM 809 CA ALA A 60 0.594 -3.586 1.903 1.00 0.00 C ATOM 810 C ALA A 60 1.866 -2.861 2.321 1.00 0.00 C ATOM 811 O ALA A 60 2.323 -2.994 3.457 1.00 0.00 O ATOM 812 CB ALA A 60 -0.579 -3.129 2.757 1.00 0.00 C ATOM 0 H ALA A 60 0.194 -5.464 2.747 1.00 0.00 H new ATOM 0 HA ALA A 60 0.403 -3.336 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.685 -2.047 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.493 -3.609 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.401 -3.403 3.797 1.00 0.00 H new ATOM 818 N ARG A 61 2.434 -2.088 1.395 1.00 0.00 N ATOM 819 CA ARG A 61 3.651 -1.333 1.670 1.00 0.00 C ATOM 820 C ARG A 61 3.573 0.057 1.043 1.00 0.00 C ATOM 821 O ARG A 61 3.342 0.191 -0.160 1.00 0.00 O ATOM 822 CB ARG A 61 4.880 -2.072 1.125 1.00 0.00 C ATOM 823 CG ARG A 61 4.917 -3.552 1.469 1.00 0.00 C ATOM 824 CD ARG A 61 5.278 -3.783 2.928 1.00 0.00 C ATOM 825 NE ARG A 61 6.654 -3.390 3.222 1.00 0.00 N ATOM 826 CZ ARG A 61 7.365 -3.887 4.231 1.00 0.00 C ATOM 827 NH1 ARG A 61 6.832 -4.795 5.038 1.00 0.00 N ATOM 828 NH2 ARG A 61 8.609 -3.477 4.432 1.00 0.00 N ATOM 0 H ARG A 61 2.069 -1.970 0.450 1.00 0.00 H new ATOM 0 HA ARG A 61 3.747 -1.232 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.906 -1.961 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.780 -1.596 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.945 -3.998 1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.643 -4.056 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.596 -3.218 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.142 -4.837 3.172 1.00 0.00 H new ATOM 0 HE ARG A 61 7.095 -2.695 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.875 -5.114 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.379 -5.174 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.022 -2.780 3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.153 -3.859 5.206 1.00 0.00 H new ATOM 842 N CYS A 62 3.770 1.087 1.859 1.00 0.00 N ATOM 843 CA CYS A 62 3.738 2.461 1.375 1.00 0.00 C ATOM 844 C CYS A 62 5.174 2.921 1.157 1.00 0.00 C ATOM 845 O CYS A 62 5.868 3.282 2.105 1.00 0.00 O ATOM 846 CB CYS A 62 3.013 3.379 2.373 1.00 0.00 C ATOM 847 SG CYS A 62 2.588 5.022 1.706 1.00 0.00 S ATOM 0 H CYS A 62 3.953 0.996 2.858 1.00 0.00 H new ATOM 0 HA CYS A 62 3.186 2.510 0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.099 2.886 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.642 3.509 3.253 1.00 0.00 H new ATOM 852 N CYS A 63 5.623 2.885 -0.095 1.00 0.00 N ATOM 853 CA CYS A 63 6.996 3.253 -0.420 1.00 0.00 C ATOM 854 C CYS A 63 7.079 4.583 -1.170 1.00 0.00 C ATOM 855 O CYS A 63 6.246 4.888 -2.024 1.00 0.00 O ATOM 856 CB CYS A 63 7.641 2.141 -1.249 1.00 0.00 C ATOM 857 SG CYS A 63 7.195 0.451 -0.715 1.00 0.00 S ATOM 0 H CYS A 63 5.058 2.606 -0.897 1.00 0.00 H new ATOM 0 HA CYS A 63 7.536 3.380 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.353 2.268 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.724 2.250 -1.202 1.00 0.00 H new ATOM 862 N VAL A 64 8.103 5.364 -0.832 1.00 0.00 N ATOM 863 CA VAL A 64 8.337 6.669 -1.450 1.00 0.00 C ATOM 864 C VAL A 64 9.176 6.517 -2.716 1.00 0.00 C ATOM 865 O VAL A 64 10.066 5.669 -2.785 1.00 0.00 O ATOM 866 CB VAL A 64 9.024 7.642 -0.450 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.983 6.910 0.454 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.759 8.773 -1.140 1.00 0.00 C ATOM 0 H VAL A 64 8.793 5.112 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 64 7.371 7.094 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 64 8.218 8.075 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.447 7.617 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.442 6.154 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.755 6.429 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.218 9.419 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.533 8.362 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.056 9.353 -1.737 1.00 0.00 H new ATOM 878 N LEU A 65 8.877 7.345 -3.717 1.00 0.00 N ATOM 879 CA LEU A 65 9.590 7.303 -4.993 1.00 0.00 C ATOM 880 C LEU A 65 11.105 7.311 -4.785 1.00 0.00 C ATOM 881 O LEU A 65 11.617 8.076 -3.967 1.00 0.00 O ATOM 882 CB LEU A 65 9.180 8.489 -5.870 1.00 0.00 C ATOM 883 CG LEU A 65 8.025 8.214 -6.835 1.00 0.00 C ATOM 884 CD1 LEU A 65 7.475 9.514 -7.394 1.00 0.00 C ATOM 885 CD2 LEU A 65 8.480 7.299 -7.963 1.00 0.00 C ATOM 0 H LEU A 65 8.145 8.054 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 65 9.320 6.373 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.902 9.321 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.047 8.811 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 65 7.229 7.713 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.654 9.298 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.111 10.137 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.264 10.042 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.646 7.114 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.294 7.774 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.826 6.353 -7.547 1.00 0.00 H new ATOM 897 N PRO A 66 11.847 6.463 -5.529 1.00 0.00 N ATOM 898 CA PRO A 66 13.307 6.381 -5.410 1.00 0.00 C ATOM 899 C PRO A 66 13.995 7.696 -5.751 1.00 0.00 C ATOM 900 O PRO A 66 13.679 8.331 -6.757 1.00 0.00 O ATOM 901 CB PRO A 66 13.702 5.303 -6.426 1.00 0.00 C ATOM 902 CG PRO A 66 12.449 4.535 -6.686 1.00 0.00 C ATOM 903 CD PRO A 66 11.329 5.522 -6.539 1.00 0.00 C ATOM 0 HA PRO A 66 13.609 6.153 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.089 5.748 -7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.485 4.657 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.458 4.099 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.341 3.712 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.106 6.023 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.408 5.041 -6.208 1.00 0.00 H new ATOM 911 N ILE A 67 14.942 8.094 -4.908 1.00 0.00 N ATOM 912 CA ILE A 67 15.685 9.331 -5.116 1.00 0.00 C ATOM 913 C ILE A 67 17.187 9.072 -5.053 1.00 0.00 C ATOM 914 O ILE A 67 17.742 8.846 -3.978 1.00 0.00 O ATOM 915 CB ILE A 67 15.306 10.402 -4.074 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.804 10.708 -4.132 1.00 0.00 C ATOM 917 CG2 ILE A 67 16.120 11.672 -4.291 1.00 0.00 C ATOM 918 CD1 ILE A 67 13.333 11.209 -5.483 1.00 0.00 C ATOM 0 H ILE A 67 15.213 7.576 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 67 15.421 9.703 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 67 15.537 10.011 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.249 9.806 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.565 11.455 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.839 12.416 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.182 11.445 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.923 12.065 -5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.261 11.403 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.860 12.130 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.539 10.455 -6.243 1.00 0.00 H new ATOM 930 N LEU A 68 17.834 9.097 -6.216 1.00 0.00 N ATOM 931 CA LEU A 68 19.273 8.863 -6.307 1.00 0.00 C ATOM 932 C LEU A 68 20.034 9.698 -5.279 1.00 0.00 C ATOM 933 O LEU A 68 20.098 10.923 -5.385 1.00 0.00 O ATOM 934 CB LEU A 68 19.774 9.189 -7.721 1.00 0.00 C ATOM 935 CG LEU A 68 19.550 8.110 -8.792 1.00 0.00 C ATOM 936 CD1 LEU A 68 20.827 7.317 -9.025 1.00 0.00 C ATOM 937 CD2 LEU A 68 18.415 7.175 -8.405 1.00 0.00 C ATOM 0 H LEU A 68 17.382 9.278 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 68 19.457 7.810 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 68 19.287 10.106 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.842 9.398 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 68 19.273 8.614 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 68 20.650 6.557 -9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.617 7.989 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 68 21.131 6.835 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.282 6.423 -9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.654 6.683 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.494 7.748 -8.292 1.00 0.00 H new ATOM 949 N GLY A 69 20.607 9.023 -4.285 1.00 0.00 N ATOM 950 CA GLY A 69 21.356 9.714 -3.249 1.00 0.00 C ATOM 951 C GLY A 69 20.924 9.308 -1.853 1.00 0.00 C ATOM 952 O GLY A 69 21.614 9.595 -0.875 1.00 0.00 O ATOM 0 H GLY A 69 20.566 8.009 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.419 9.505 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 69 21.227 10.790 -3.368 1.00 0.00 H new ATOM 956 N GLN A 70 19.779 8.638 -1.763 1.00 0.00 N ATOM 957 CA GLN A 70 19.249 8.191 -0.481 1.00 0.00 C ATOM 958 C GLN A 70 18.688 6.784 -0.581 1.00 0.00 C ATOM 959 O GLN A 70 18.490 6.248 -1.672 1.00 0.00 O ATOM 960 CB GLN A 70 18.154 9.145 0.004 1.00 0.00 C ATOM 961 CG GLN A 70 16.914 9.141 -0.876 1.00 0.00 C ATOM 962 CD GLN A 70 15.855 10.128 -0.381 1.00 0.00 C ATOM 963 OE1 GLN A 70 16.194 11.109 0.282 1.00 0.00 O ATOM 964 NE2 GLN A 70 14.569 9.909 -0.703 1.00 0.00 N ATOM 0 H GLN A 70 19.200 8.393 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 70 20.071 8.188 0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.870 8.873 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.557 10.157 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 70 17.195 9.393 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.490 8.137 -0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.314 9.089 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.848 10.563 -0.397 1.00 0.00 H new ATOM 973 N ASP A 71 18.437 6.198 0.577 1.00 0.00 N ATOM 974 CA ASP A 71 17.891 4.850 0.659 1.00 0.00 C ATOM 975 C ASP A 71 16.382 4.876 0.436 1.00 0.00 C ATOM 976 O ASP A 71 15.760 5.936 0.497 1.00 0.00 O ATOM 977 CB ASP A 71 18.215 4.236 2.024 1.00 0.00 C ATOM 978 CG ASP A 71 17.731 2.805 2.147 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.460 1.891 1.708 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.623 2.597 2.684 1.00 0.00 O ATOM 0 H ASP A 71 18.604 6.638 1.482 1.00 0.00 H new ATOM 0 HA ASP A 71 18.346 4.238 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.292 4.267 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.757 4.839 2.808 1.00 0.00 H new ATOM 985 N ILE A 72 15.798 3.712 0.170 1.00 0.00 N ATOM 986 CA ILE A 72 14.362 3.622 -0.060 1.00 0.00 C ATOM 987 C ILE A 72 13.599 3.537 1.266 1.00 0.00 C ATOM 988 O ILE A 72 13.876 2.679 2.104 1.00 0.00 O ATOM 989 CB ILE A 72 14.004 2.416 -0.965 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.552 2.521 -1.434 1.00 0.00 C ATOM 991 CG2 ILE A 72 14.238 1.093 -0.243 1.00 0.00 C ATOM 992 CD1 ILE A 72 12.174 1.489 -2.475 1.00 0.00 C ATOM 0 H ILE A 72 16.294 2.823 0.109 1.00 0.00 H new ATOM 0 HA ILE A 72 14.060 4.532 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 72 14.659 2.440 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.892 2.414 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.383 3.517 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.978 0.267 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.287 1.014 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.616 1.052 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.131 1.625 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.808 1.609 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.310 0.489 -2.063 1.00 0.00 H new ATOM 1004 N LEU A 73 12.645 4.449 1.454 1.00 0.00 N ATOM 1005 CA LEU A 73 11.847 4.493 2.672 1.00 0.00 C ATOM 1006 C LEU A 73 10.476 3.855 2.449 1.00 0.00 C ATOM 1007 O LEU A 73 9.682 4.339 1.648 1.00 0.00 O ATOM 1008 CB LEU A 73 11.684 5.950 3.140 1.00 0.00 C ATOM 1009 CG LEU A 73 12.908 6.569 3.831 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.342 5.732 5.026 1.00 0.00 C ATOM 1011 CD2 LEU A 73 14.059 6.731 2.848 1.00 0.00 C ATOM 0 H LEU A 73 12.408 5.170 0.772 1.00 0.00 H new ATOM 0 HA LEU A 73 12.365 3.924 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.429 6.563 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.839 5.999 3.826 1.00 0.00 H new ATOM 0 HG LEU A 73 12.623 7.557 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.210 6.193 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.526 5.676 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.601 4.727 4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.915 7.171 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.337 5.755 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.750 7.383 2.031 1.00 0.00 H new ATOM 1023 N CYS A 74 10.203 2.754 3.142 1.00 0.00 N ATOM 1024 CA CYS A 74 8.910 2.080 2.995 1.00 0.00 C ATOM 1025 C CYS A 74 8.633 1.150 4.175 1.00 0.00 C ATOM 1026 O CYS A 74 9.535 0.470 4.665 1.00 0.00 O ATOM 1027 CB CYS A 74 8.856 1.305 1.672 1.00 0.00 C ATOM 1028 SG CYS A 74 7.257 0.514 1.321 1.00 0.00 S ATOM 0 H CYS A 74 10.845 2.313 3.801 1.00 0.00 H new ATOM 0 HA CYS A 74 8.132 2.844 2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.095 1.988 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 74 9.631 0.538 1.684 1.00 0.00 H new ATOM 1033 N GLN A 75 7.379 1.124 4.627 1.00 0.00 N ATOM 1034 CA GLN A 75 6.992 0.278 5.757 1.00 0.00 C ATOM 1035 C GLN A 75 5.481 0.049 5.790 1.00 0.00 C ATOM 1036 O GLN A 75 4.726 0.710 5.075 1.00 0.00 O ATOM 1037 CB GLN A 75 7.450 0.909 7.074 1.00 0.00 C ATOM 1038 CG GLN A 75 6.766 2.234 7.390 1.00 0.00 C ATOM 1039 CD GLN A 75 7.121 2.759 8.768 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.086 3.505 8.931 1.00 0.00 O ATOM 1041 NE2 GLN A 75 6.339 2.371 9.769 1.00 0.00 N ATOM 0 H GLN A 75 6.618 1.675 4.231 1.00 0.00 H new ATOM 0 HA GLN A 75 7.480 -0.688 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.259 0.209 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.528 1.067 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.049 2.973 6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.686 2.107 7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.549 1.751 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.528 2.693 10.718 1.00 0.00 H new ATOM 1050 N THR A 76 5.049 -0.896 6.625 1.00 0.00 N ATOM 1051 CA THR A 76 3.634 -1.225 6.761 1.00 0.00 C ATOM 1052 C THR A 76 3.029 -0.578 8.012 1.00 0.00 C ATOM 1053 O THR A 76 3.529 -0.781 9.118 1.00 0.00 O ATOM 1054 CB THR A 76 3.441 -2.749 6.847 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.012 -3.379 5.695 1.00 0.00 O ATOM 1056 CG2 THR A 76 1.969 -3.110 6.949 1.00 0.00 C ATOM 0 H THR A 76 5.665 -1.449 7.220 1.00 0.00 H new ATOM 0 HA THR A 76 3.125 -0.837 5.879 1.00 0.00 H new ATOM 0 HB THR A 76 3.945 -3.104 7.746 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.387 -3.314 4.943 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.863 -4.193 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.544 -2.654 7.843 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.442 -2.742 6.069 1.00 0.00 H new ATOM 1064 N PRO A 77 1.941 0.210 7.860 1.00 0.00 N ATOM 1065 CA PRO A 77 1.282 0.871 8.996 1.00 0.00 C ATOM 1066 C PRO A 77 0.566 -0.114 9.917 1.00 0.00 C ATOM 1067 O PRO A 77 -0.041 -1.082 9.456 1.00 0.00 O ATOM 1068 CB PRO A 77 0.263 1.796 8.324 1.00 0.00 C ATOM 1069 CG PRO A 77 -0.024 1.144 7.019 1.00 0.00 C ATOM 1070 CD PRO A 77 1.277 0.534 6.582 1.00 0.00 C ATOM 0 HA PRO A 77 2.001 1.385 9.633 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.640 1.896 8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.667 2.799 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.799 0.384 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.383 1.869 6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.120 -0.356 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.868 1.229 5.986 1.00 0.00 H new ATOM 1078 N ALA A 78 0.649 0.143 11.222 1.00 0.00 N ATOM 1079 CA ALA A 78 0.004 -0.700 12.229 1.00 0.00 C ATOM 1080 C ALA A 78 0.570 -2.119 12.244 1.00 0.00 C ATOM 1081 O ALA A 78 0.147 -2.953 13.045 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.501 -0.735 12.006 1.00 0.00 C ATOM 0 H ALA A 78 1.161 0.935 11.609 1.00 0.00 H new ATOM 0 HA ALA A 78 0.214 -0.257 13.202 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.966 -1.366 12.763 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.903 0.275 12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.713 -1.139 11.016 1.00 0.00 H new ATOM 1088 N GLY A 79 1.525 -2.392 11.360 1.00 0.00 N ATOM 1089 CA GLY A 79 2.124 -3.708 11.302 1.00 0.00 C ATOM 1090 C GLY A 79 1.175 -4.750 10.748 1.00 0.00 C ATOM 1091 O GLY A 79 1.170 -5.896 11.200 1.00 0.00 O ATOM 0 H GLY A 79 1.893 -1.723 10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.019 -3.670 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.441 -4.004 12.302 1.00 0.00 H new ATOM 1095 N LEU A 80 0.369 -4.348 9.769 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.594 -5.251 9.141 1.00 0.00 C ATOM 1097 C LEU A 80 0.064 -6.569 8.743 1.00 0.00 C ATOM 1098 O LEU A 80 -0.081 -7.553 9.499 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.215 -4.590 7.910 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.270 -3.526 8.204 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.458 -2.621 7.003 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.586 -4.185 8.583 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.721 -6.607 7.681 1.00 0.00 O ATOM 0 H LEU A 80 0.363 -3.400 9.392 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.377 -5.464 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.418 -4.135 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.667 -5.365 7.291 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.929 -2.918 9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.213 -1.868 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.514 -2.129 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.782 -3.214 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.331 -3.417 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.930 -4.811 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.442 -4.800 9.471 1.00 0.00 H new TER 1115 LEU A 80