USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 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 -39:sc= -0.554 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.11 K(o=-0.66,f=-2.1) USER MOD Single : A 1 SER N :NH3+ 150:sc= 1.2e-05 (180deg=-0.00744) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -164:sc= -0.037 (180deg=-0.372) USER MOD Single : A 8 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.1) 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 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.48) USER MOD Single : A 26 THR OG1 : rot 117:sc= -0.999 USER MOD Single : A 38 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.19) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.41 K(o=-1.4,f=-10!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.25! C(o=-2.2!,f=-3.7!) USER MOD Single : A 51 SER OG : rot 72:sc= 0.66 USER MOD Single : A 52 THR OG1 : rot 59:sc= 0.13 USER MOD Single : A 58 GLN : amide:sc= -0.678 K(o=-0.68,f=-6.8!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.39 F(o=-2.5,f=-1.4) USER MOD Single : A 76 THR OG1 : rot -52:sc= 0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.513 8.313 -6.754 1.00 0.00 N ATOM 2 CA SER A 1 -20.405 8.200 -5.277 1.00 0.00 C ATOM 3 C SER A 1 -20.184 9.571 -4.638 1.00 0.00 C ATOM 4 O SER A 1 -19.064 9.909 -4.252 1.00 0.00 O ATOM 5 CB SER A 1 -19.254 7.263 -4.904 1.00 0.00 C ATOM 6 OG SER A 1 -19.454 5.967 -5.444 1.00 0.00 O ATOM 0 H1 SER A 1 -20.161 7.440 -7.196 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.508 8.459 -7.019 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.946 9.120 -7.083 1.00 0.00 H new ATOM 0 HA SER A 1 -21.342 7.790 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.314 7.673 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.170 7.199 -3.819 1.00 0.00 H new ATOM 0 HG SER A 1 -18.704 5.389 -5.193 1.00 0.00 H new ATOM 11 N PRO A 2 -21.252 10.382 -4.522 1.00 0.00 N ATOM 12 CA PRO A 2 -21.168 11.720 -3.926 1.00 0.00 C ATOM 13 C PRO A 2 -20.635 11.679 -2.498 1.00 0.00 C ATOM 14 O PRO A 2 -21.382 11.433 -1.551 1.00 0.00 O ATOM 15 CB PRO A 2 -22.618 12.224 -3.943 1.00 0.00 C ATOM 16 CG PRO A 2 -23.456 11.008 -4.147 1.00 0.00 C ATOM 17 CD PRO A 2 -22.620 10.065 -4.960 1.00 0.00 C ATOM 0 HA PRO A 2 -20.480 12.364 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -22.871 12.724 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.773 12.947 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.734 10.560 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -24.383 11.255 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.877 9.024 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.750 10.228 -6.030 1.00 0.00 H new ATOM 25 N ALA A 3 -19.336 11.922 -2.350 1.00 0.00 N ATOM 26 CA ALA A 3 -18.699 11.905 -1.038 1.00 0.00 C ATOM 27 C ALA A 3 -19.012 13.174 -0.255 1.00 0.00 C ATOM 28 O ALA A 3 -18.233 14.127 -0.256 1.00 0.00 O ATOM 29 CB ALA A 3 -17.194 11.729 -1.183 1.00 0.00 C ATOM 0 H ALA A 3 -18.704 12.133 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 3 -19.101 11.059 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.732 11.718 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.985 10.788 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.786 12.555 -1.766 1.00 0.00 H new ATOM 35 N ALA A 4 -20.161 13.178 0.412 1.00 0.00 N ATOM 36 CA ALA A 4 -20.581 14.324 1.209 1.00 0.00 C ATOM 37 C ALA A 4 -20.248 14.108 2.681 1.00 0.00 C ATOM 38 O ALA A 4 -19.796 15.024 3.369 1.00 0.00 O ATOM 39 CB ALA A 4 -22.070 14.571 1.033 1.00 0.00 C ATOM 0 H ALA A 4 -20.819 12.399 0.416 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.038 15.203 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -22.370 15.430 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.284 14.770 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.626 13.690 1.356 1.00 0.00 H new ATOM 45 N MET A 5 -20.474 12.887 3.155 1.00 0.00 N ATOM 46 CA MET A 5 -20.195 12.538 4.545 1.00 0.00 C ATOM 47 C MET A 5 -18.923 11.706 4.635 1.00 0.00 C ATOM 48 O MET A 5 -18.166 11.806 5.601 1.00 0.00 O ATOM 49 CB MET A 5 -21.375 11.764 5.145 1.00 0.00 C ATOM 50 CG MET A 5 -21.301 10.256 4.944 1.00 0.00 C ATOM 51 SD MET A 5 -22.768 9.403 5.552 1.00 0.00 S ATOM 52 CE MET A 5 -22.630 9.712 7.311 1.00 0.00 C ATOM 0 H MET A 5 -20.850 12.121 2.596 1.00 0.00 H new ATOM 0 HA MET A 5 -20.053 13.457 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 5 -21.427 11.974 6.213 1.00 0.00 H new ATOM 0 HB3 MET A 5 -22.300 12.133 4.702 1.00 0.00 H new ATOM 0 HG2 MET A 5 -21.173 10.040 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 5 -20.421 9.868 5.456 1.00 0.00 H new ATOM 0 HE1 MET A 5 -23.284 9.029 7.853 1.00 0.00 H new ATOM 0 HE2 MET A 5 -21.599 9.556 7.628 1.00 0.00 H new ATOM 0 HE3 MET A 5 -22.923 10.740 7.524 1.00 0.00 H new ATOM 62 N GLU A 6 -18.708 10.883 3.616 1.00 0.00 N ATOM 63 CA GLU A 6 -17.534 10.018 3.555 1.00 0.00 C ATOM 64 C GLU A 6 -16.252 10.826 3.748 1.00 0.00 C ATOM 65 O GLU A 6 -15.642 10.788 4.817 1.00 0.00 O ATOM 66 CB GLU A 6 -17.494 9.281 2.215 1.00 0.00 C ATOM 67 CG GLU A 6 -18.809 8.608 1.850 1.00 0.00 C ATOM 68 CD GLU A 6 -18.697 7.747 0.607 1.00 0.00 C ATOM 69 OE1 GLU A 6 -18.266 6.581 0.729 1.00 0.00 O ATOM 70 OE2 GLU A 6 -19.036 8.240 -0.490 1.00 0.00 O ATOM 0 H GLU A 6 -19.335 10.796 2.816 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.604 9.289 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.227 9.988 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.707 8.528 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.142 7.992 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.572 9.370 1.692 1.00 0.00 H new ATOM 77 N ARG A 7 -15.850 11.556 2.711 1.00 0.00 N ATOM 78 CA ARG A 7 -14.653 12.370 2.775 1.00 0.00 C ATOM 79 C ARG A 7 -14.836 13.679 2.014 1.00 0.00 C ATOM 80 O ARG A 7 -14.973 13.689 0.790 1.00 0.00 O ATOM 81 CB ARG A 7 -13.441 11.604 2.225 1.00 0.00 C ATOM 82 CG ARG A 7 -13.663 10.993 0.848 1.00 0.00 C ATOM 83 CD ARG A 7 -14.192 9.569 0.938 1.00 0.00 C ATOM 84 NE ARG A 7 -14.175 8.898 -0.358 1.00 0.00 N ATOM 85 CZ ARG A 7 -14.593 7.649 -0.548 1.00 0.00 C ATOM 86 NH1 ARG A 7 -15.070 6.945 0.469 1.00 0.00 N ATOM 87 NH2 ARG A 7 -14.541 7.107 -1.758 1.00 0.00 N ATOM 0 H ARG A 7 -16.341 11.596 1.818 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.471 12.605 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -12.588 12.281 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.179 10.810 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.368 11.607 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.725 10.997 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -13.589 9.002 1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -15.211 9.584 1.325 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.823 9.416 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.117 7.361 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -15.390 5.988 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.180 7.648 -2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.862 6.150 -1.902 1.00 0.00 H new ATOM 101 N GLN A 8 -14.843 14.783 2.753 1.00 0.00 N ATOM 102 CA GLN A 8 -15.002 16.105 2.160 1.00 0.00 C ATOM 103 C GLN A 8 -13.668 16.627 1.635 1.00 0.00 C ATOM 104 O GLN A 8 -13.624 17.384 0.665 1.00 0.00 O ATOM 105 CB GLN A 8 -15.576 17.085 3.188 1.00 0.00 C ATOM 106 CG GLN A 8 -17.089 17.018 3.328 1.00 0.00 C ATOM 107 CD GLN A 8 -17.806 17.259 2.014 1.00 0.00 C ATOM 108 OE1 GLN A 8 -18.068 16.326 1.256 1.00 0.00 O ATOM 109 NE2 GLN A 8 -18.127 18.518 1.736 1.00 0.00 N ATOM 0 H GLN A 8 -14.740 14.788 3.768 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.696 16.020 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.122 16.885 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.292 18.099 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.371 16.040 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.416 17.759 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.891 19.262 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.610 18.741 0.866 1.00 0.00 H new ATOM 118 N VAL A 9 -12.582 16.215 2.283 1.00 0.00 N ATOM 119 CA VAL A 9 -11.246 16.639 1.886 1.00 0.00 C ATOM 120 C VAL A 9 -10.627 15.639 0.905 1.00 0.00 C ATOM 121 O VAL A 9 -10.995 14.464 0.896 1.00 0.00 O ATOM 122 CB VAL A 9 -10.329 16.815 3.125 1.00 0.00 C ATOM 123 CG1 VAL A 9 -9.112 15.899 3.067 1.00 0.00 C ATOM 124 CG2 VAL A 9 -9.901 18.269 3.269 1.00 0.00 C ATOM 0 H VAL A 9 -12.603 15.587 3.086 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.337 17.603 1.386 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.907 16.530 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.497 16.055 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.440 14.860 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.528 16.126 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.258 18.374 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.355 18.577 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.783 18.898 3.389 1.00 0.00 H new ATOM 134 N PRO A 10 -9.682 16.100 0.064 1.00 0.00 N ATOM 135 CA PRO A 10 -9.007 15.248 -0.920 1.00 0.00 C ATOM 136 C PRO A 10 -8.561 13.913 -0.332 1.00 0.00 C ATOM 137 O PRO A 10 -7.939 13.869 0.731 1.00 0.00 O ATOM 138 CB PRO A 10 -7.797 16.079 -1.329 1.00 0.00 C ATOM 139 CG PRO A 10 -8.224 17.497 -1.138 1.00 0.00 C ATOM 140 CD PRO A 10 -9.199 17.494 0.011 1.00 0.00 C ATOM 0 HA PRO A 10 -9.665 14.984 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.928 15.842 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.517 15.887 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.368 18.135 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.690 17.888 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.717 17.786 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.017 18.194 -0.158 1.00 0.00 H new ATOM 148 N TYR A 11 -8.890 12.827 -1.030 1.00 0.00 N ATOM 149 CA TYR A 11 -8.526 11.487 -0.592 1.00 0.00 C ATOM 150 C TYR A 11 -7.037 11.395 -0.277 1.00 0.00 C ATOM 151 O TYR A 11 -6.210 12.003 -0.958 1.00 0.00 O ATOM 152 CB TYR A 11 -8.893 10.469 -1.672 1.00 0.00 C ATOM 153 CG TYR A 11 -8.913 9.047 -1.173 1.00 0.00 C ATOM 154 CD1 TYR A 11 -7.769 8.262 -1.214 1.00 0.00 C ATOM 155 CD2 TYR A 11 -10.073 8.492 -0.656 1.00 0.00 C ATOM 156 CE1 TYR A 11 -7.783 6.962 -0.756 1.00 0.00 C ATOM 157 CE2 TYR A 11 -10.096 7.192 -0.195 1.00 0.00 C ATOM 158 CZ TYR A 11 -8.948 6.429 -0.246 1.00 0.00 C ATOM 159 OH TYR A 11 -8.966 5.133 0.214 1.00 0.00 O ATOM 0 H TYR A 11 -9.411 12.853 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.080 11.266 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.874 10.718 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.180 10.548 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.854 8.676 -1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.973 9.087 -0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.885 6.363 -0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.008 6.774 0.204 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.864 4.914 0.541 1.00 0.00 H new ATOM 169 N THR A 12 -6.703 10.628 0.756 1.00 0.00 N ATOM 170 CA THR A 12 -5.314 10.455 1.163 1.00 0.00 C ATOM 171 C THR A 12 -5.028 9.003 1.546 1.00 0.00 C ATOM 172 O THR A 12 -5.260 8.602 2.688 1.00 0.00 O ATOM 173 CB THR A 12 -4.962 11.367 2.355 1.00 0.00 C ATOM 174 OG1 THR A 12 -5.195 12.738 2.008 1.00 0.00 O ATOM 175 CG2 THR A 12 -3.509 11.185 2.772 1.00 0.00 C ATOM 0 H THR A 12 -7.376 10.116 1.326 1.00 0.00 H new ATOM 0 HA THR A 12 -4.697 10.730 0.308 1.00 0.00 H new ATOM 0 HB THR A 12 -5.600 11.089 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.971 13.311 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.288 11.840 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.341 10.148 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.856 11.436 1.936 1.00 0.00 H new ATOM 183 N PRO A 13 -4.521 8.190 0.599 1.00 0.00 N ATOM 184 CA PRO A 13 -4.201 6.784 0.854 1.00 0.00 C ATOM 185 C PRO A 13 -2.929 6.631 1.676 1.00 0.00 C ATOM 186 O PRO A 13 -2.165 7.585 1.827 1.00 0.00 O ATOM 187 CB PRO A 13 -4.011 6.220 -0.546 1.00 0.00 C ATOM 188 CG PRO A 13 -3.441 7.366 -1.278 1.00 0.00 C ATOM 189 CD PRO A 13 -4.208 8.564 -0.793 1.00 0.00 C ATOM 0 HA PRO A 13 -4.973 6.275 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.339 5.362 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.954 5.889 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.375 7.472 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.549 7.239 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.614 9.477 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.110 8.736 -1.381 1.00 0.00 H new ATOM 197 N CYS A 14 -2.699 5.427 2.190 1.00 0.00 N ATOM 198 CA CYS A 14 -1.525 5.155 3.008 1.00 0.00 C ATOM 199 C CYS A 14 -1.316 6.244 4.047 1.00 0.00 C ATOM 200 O CYS A 14 -2.238 6.990 4.377 1.00 0.00 O ATOM 201 CB CYS A 14 -0.310 5.001 2.108 1.00 0.00 C ATOM 202 SG CYS A 14 0.145 3.265 1.783 1.00 0.00 S ATOM 0 H CYS A 14 -3.312 4.623 2.053 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.677 4.224 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.506 5.500 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.538 5.510 2.566 1.00 0.00 H new ATOM 207 N SER A 15 -0.107 6.322 4.566 1.00 0.00 N ATOM 208 CA SER A 15 0.209 7.304 5.593 1.00 0.00 C ATOM 209 C SER A 15 1.311 8.279 5.173 1.00 0.00 C ATOM 210 O SER A 15 1.561 8.481 3.989 1.00 0.00 O ATOM 211 CB SER A 15 0.611 6.587 6.882 1.00 0.00 C ATOM 212 OG SER A 15 1.796 5.832 6.699 1.00 0.00 O ATOM 0 H SER A 15 0.672 5.721 4.297 1.00 0.00 H new ATOM 0 HA SER A 15 -0.690 7.899 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.761 7.318 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.197 5.929 7.203 1.00 0.00 H new ATOM 0 HG SER A 15 2.032 5.385 7.539 1.00 0.00 H new ATOM 218 N GLY A 16 1.917 8.878 6.202 1.00 0.00 N ATOM 219 CA GLY A 16 3.005 9.862 6.109 1.00 0.00 C ATOM 220 C GLY A 16 3.843 9.916 4.831 1.00 0.00 C ATOM 221 O GLY A 16 3.375 9.698 3.723 1.00 0.00 O ATOM 0 H GLY A 16 1.652 8.683 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.570 10.850 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.685 9.682 6.942 1.00 0.00 H new ATOM 225 N LEU A 17 5.099 10.313 5.045 1.00 0.00 N ATOM 226 CA LEU A 17 6.127 10.498 4.010 1.00 0.00 C ATOM 227 C LEU A 17 5.906 9.709 2.715 1.00 0.00 C ATOM 228 O LEU A 17 6.158 10.232 1.630 1.00 0.00 O ATOM 229 CB LEU A 17 7.477 10.087 4.617 1.00 0.00 C ATOM 230 CG LEU A 17 8.731 10.637 3.935 1.00 0.00 C ATOM 231 CD1 LEU A 17 8.972 9.961 2.597 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.614 12.138 3.767 1.00 0.00 C ATOM 0 H LEU A 17 5.445 10.524 5.981 1.00 0.00 H new ATOM 0 HA LEU A 17 6.086 11.547 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.491 10.402 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.536 8.999 4.611 1.00 0.00 H new ATOM 0 HG LEU A 17 9.590 10.421 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.870 10.374 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.102 8.889 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.117 10.134 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.511 12.521 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.743 12.369 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.504 12.606 4.745 1.00 0.00 H new ATOM 244 N TYR A 18 5.419 8.486 2.804 1.00 0.00 N ATOM 245 CA TYR A 18 5.251 7.673 1.599 1.00 0.00 C ATOM 246 C TYR A 18 4.161 8.225 0.681 1.00 0.00 C ATOM 247 O TYR A 18 4.306 8.205 -0.542 1.00 0.00 O ATOM 248 CB TYR A 18 4.934 6.238 2.006 1.00 0.00 C ATOM 249 CG TYR A 18 5.563 5.866 3.328 1.00 0.00 C ATOM 250 CD1 TYR A 18 6.944 5.802 3.465 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.779 5.607 4.444 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.525 5.486 4.676 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.353 5.293 5.661 1.00 0.00 C ATOM 254 CZ TYR A 18 6.727 5.234 5.772 1.00 0.00 C ATOM 255 OH TYR A 18 7.302 4.923 6.981 1.00 0.00 O ATOM 0 H TYR A 18 5.136 8.035 3.674 1.00 0.00 H new ATOM 0 HA TYR A 18 6.182 7.701 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.853 6.111 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.288 5.556 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.573 6.003 2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.703 5.652 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.600 5.436 4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.730 5.095 6.520 1.00 0.00 H new ATOM 0 HH TYR A 18 8.078 4.342 6.835 1.00 0.00 H new ATOM 265 N GLY A 19 3.101 8.753 1.278 1.00 0.00 N ATOM 266 CA GLY A 19 2.012 9.359 0.519 1.00 0.00 C ATOM 267 C GLY A 19 1.338 8.445 -0.506 1.00 0.00 C ATOM 268 O GLY A 19 0.229 8.743 -0.948 1.00 0.00 O ATOM 0 H GLY A 19 2.971 8.774 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.255 9.711 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.398 10.236 -0.000 1.00 0.00 H new ATOM 272 N THR A 20 1.983 7.339 -0.893 1.00 0.00 N ATOM 273 CA THR A 20 1.411 6.445 -1.895 1.00 0.00 C ATOM 274 C THR A 20 1.121 5.060 -1.326 1.00 0.00 C ATOM 275 O THR A 20 1.783 4.605 -0.394 1.00 0.00 O ATOM 276 CB THR A 20 2.356 6.301 -3.106 1.00 0.00 C ATOM 277 OG1 THR A 20 2.679 7.595 -3.631 1.00 0.00 O ATOM 278 CG2 THR A 20 1.721 5.455 -4.202 1.00 0.00 C ATOM 0 H THR A 20 2.891 7.047 -0.530 1.00 0.00 H new ATOM 0 HA THR A 20 0.470 6.894 -2.212 1.00 0.00 H new ATOM 0 HB THR A 20 3.264 5.803 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.280 7.496 -4.398 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.410 5.371 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.501 4.461 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.797 5.927 -4.536 1.00 0.00 H new ATOM 286 N ALA A 21 0.120 4.397 -1.903 1.00 0.00 N ATOM 287 CA ALA A 21 -0.270 3.060 -1.477 1.00 0.00 C ATOM 288 C ALA A 21 -0.057 2.051 -2.600 1.00 0.00 C ATOM 289 O ALA A 21 -0.753 2.087 -3.611 1.00 0.00 O ATOM 290 CB ALA A 21 -1.727 3.062 -1.033 1.00 0.00 C ATOM 0 H ALA A 21 -0.437 4.770 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 21 0.357 2.766 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.012 2.059 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.853 3.755 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.360 3.373 -1.864 1.00 0.00 H new ATOM 296 N GLN A 22 0.912 1.153 -2.416 1.00 0.00 N ATOM 297 CA GLN A 22 1.218 0.137 -3.422 1.00 0.00 C ATOM 298 C GLN A 22 1.401 -1.229 -2.765 1.00 0.00 C ATOM 299 O GLN A 22 1.280 -1.362 -1.547 1.00 0.00 O ATOM 300 CB GLN A 22 2.495 0.507 -4.182 1.00 0.00 C ATOM 301 CG GLN A 22 2.538 1.948 -4.672 1.00 0.00 C ATOM 302 CD GLN A 22 1.855 2.140 -6.015 1.00 0.00 C ATOM 303 OE1 GLN A 22 2.461 1.933 -7.066 1.00 0.00 O ATOM 304 NE2 GLN A 22 0.595 2.557 -5.987 1.00 0.00 N ATOM 0 H GLN A 22 1.497 1.109 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 22 0.382 0.090 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.353 0.330 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.600 -0.159 -5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.061 2.591 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.577 2.268 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.130 2.716 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.092 2.718 -6.859 1.00 0.00 H new ATOM 313 N CYS A 23 1.693 -2.243 -3.578 1.00 0.00 N ATOM 314 CA CYS A 23 1.910 -3.594 -3.068 1.00 0.00 C ATOM 315 C CYS A 23 3.195 -4.174 -3.654 1.00 0.00 C ATOM 316 O CYS A 23 3.252 -4.510 -4.837 1.00 0.00 O ATOM 317 CB CYS A 23 0.718 -4.500 -3.395 1.00 0.00 C ATOM 318 SG CYS A 23 -0.880 -3.886 -2.775 1.00 0.00 S ATOM 0 H CYS A 23 1.784 -2.154 -4.590 1.00 0.00 H new ATOM 0 HA CYS A 23 2.007 -3.541 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.653 -4.620 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.902 -5.489 -2.975 1.00 0.00 H new ATOM 323 N CYS A 24 4.221 -4.290 -2.815 1.00 0.00 N ATOM 324 CA CYS A 24 5.515 -4.809 -3.248 1.00 0.00 C ATOM 325 C CYS A 24 5.856 -6.110 -2.525 1.00 0.00 C ATOM 326 O CYS A 24 5.331 -6.385 -1.446 1.00 0.00 O ATOM 327 CB CYS A 24 6.612 -3.776 -2.975 1.00 0.00 C ATOM 328 SG CYS A 24 6.117 -2.042 -3.257 1.00 0.00 S ATOM 0 H CYS A 24 4.181 -4.031 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 24 5.455 -5.010 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.942 -3.882 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.470 -4.002 -3.608 1.00 0.00 H new ATOM 333 N ALA A 25 6.740 -6.908 -3.126 1.00 0.00 N ATOM 334 CA ALA A 25 7.161 -8.167 -2.530 1.00 0.00 C ATOM 335 C ALA A 25 8.347 -7.934 -1.608 1.00 0.00 C ATOM 336 O ALA A 25 8.978 -6.878 -1.654 1.00 0.00 O ATOM 337 CB ALA A 25 7.516 -9.179 -3.609 1.00 0.00 C ATOM 0 H ALA A 25 7.176 -6.701 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 25 6.334 -8.570 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.828 -10.113 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.645 -9.361 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.330 -8.789 -4.220 1.00 0.00 H new ATOM 343 N THR A 26 8.650 -8.919 -0.774 1.00 0.00 N ATOM 344 CA THR A 26 9.758 -8.790 0.163 1.00 0.00 C ATOM 345 C THR A 26 10.715 -9.977 0.083 1.00 0.00 C ATOM 346 O THR A 26 10.339 -11.065 -0.356 1.00 0.00 O ATOM 347 CB THR A 26 9.257 -8.636 1.611 1.00 0.00 C ATOM 348 OG1 THR A 26 10.318 -8.162 2.439 1.00 0.00 O ATOM 349 CG2 THR A 26 8.743 -9.958 2.160 1.00 0.00 C ATOM 0 H THR A 26 8.151 -9.807 -0.726 1.00 0.00 H new ATOM 0 HA THR A 26 10.298 -7.888 -0.125 1.00 0.00 H new ATOM 0 HB THR A 26 8.435 -7.920 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.086 -7.279 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.396 -9.817 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.917 -10.312 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.547 -10.694 2.147 1.00 0.00 H new ATOM 357 N ASP A 27 11.956 -9.756 0.515 1.00 0.00 N ATOM 358 CA ASP A 27 12.976 -10.795 0.490 1.00 0.00 C ATOM 359 C ASP A 27 12.920 -11.647 1.753 1.00 0.00 C ATOM 360 O ASP A 27 11.986 -11.539 2.549 1.00 0.00 O ATOM 361 CB ASP A 27 14.364 -10.168 0.345 1.00 0.00 C ATOM 362 CG ASP A 27 14.939 -9.709 1.669 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.318 -8.840 2.314 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.008 -10.220 2.062 1.00 0.00 O ATOM 0 H ASP A 27 12.277 -8.862 0.887 1.00 0.00 H new ATOM 0 HA ASP A 27 12.782 -11.440 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.040 -10.893 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.305 -9.318 -0.335 1.00 0.00 H new ATOM 369 N VAL A 28 13.928 -12.490 1.926 1.00 0.00 N ATOM 370 CA VAL A 28 14.006 -13.373 3.081 1.00 0.00 C ATOM 371 C VAL A 28 14.068 -12.602 4.399 1.00 0.00 C ATOM 372 O VAL A 28 13.373 -12.943 5.358 1.00 0.00 O ATOM 373 CB VAL A 28 15.222 -14.309 2.987 1.00 0.00 C ATOM 374 CG1 VAL A 28 14.963 -15.390 1.955 1.00 0.00 C ATOM 375 CG2 VAL A 28 16.484 -13.531 2.647 1.00 0.00 C ATOM 0 H VAL A 28 14.709 -12.581 1.276 1.00 0.00 H new ATOM 0 HA VAL A 28 13.090 -13.964 3.072 1.00 0.00 H new ATOM 0 HB VAL A 28 15.374 -14.779 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.829 -16.049 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.086 -15.968 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.788 -14.930 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.329 -14.217 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.355 -13.029 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.674 -12.789 3.422 1.00 0.00 H new ATOM 385 N LEU A 29 14.898 -11.565 4.445 1.00 0.00 N ATOM 386 CA LEU A 29 15.058 -10.767 5.655 1.00 0.00 C ATOM 387 C LEU A 29 13.896 -9.792 5.849 1.00 0.00 C ATOM 388 O LEU A 29 13.658 -9.316 6.959 1.00 0.00 O ATOM 389 CB LEU A 29 16.386 -10.016 5.605 1.00 0.00 C ATOM 390 CG LEU A 29 17.591 -10.891 5.269 1.00 0.00 C ATOM 391 CD1 LEU A 29 18.821 -10.033 5.031 1.00 0.00 C ATOM 392 CD2 LEU A 29 17.839 -11.893 6.386 1.00 0.00 C ATOM 0 H LEU A 29 15.470 -11.258 3.658 1.00 0.00 H new ATOM 0 HA LEU A 29 15.058 -11.444 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.312 -9.220 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.556 -9.538 6.570 1.00 0.00 H new ATOM 0 HG LEU A 29 17.380 -11.442 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.671 -10.673 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.635 -9.353 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.042 -9.456 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.701 -12.512 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.034 -11.360 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.961 -12.527 6.508 1.00 0.00 H new ATOM 404 N GLY A 30 13.176 -9.497 4.768 1.00 0.00 N ATOM 405 CA GLY A 30 12.041 -8.590 4.860 1.00 0.00 C ATOM 406 C GLY A 30 12.281 -7.243 4.195 1.00 0.00 C ATOM 407 O GLY A 30 11.338 -6.479 3.982 1.00 0.00 O ATOM 0 H GLY A 30 13.356 -9.867 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.172 -9.062 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.800 -8.429 5.911 1.00 0.00 H new ATOM 411 N VAL A 31 13.536 -6.933 3.883 1.00 0.00 N ATOM 412 CA VAL A 31 13.864 -5.668 3.234 1.00 0.00 C ATOM 413 C VAL A 31 14.110 -5.866 1.741 1.00 0.00 C ATOM 414 O VAL A 31 15.136 -6.421 1.345 1.00 0.00 O ATOM 415 CB VAL A 31 15.110 -5.018 3.866 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.363 -3.645 3.263 1.00 0.00 C ATOM 417 CG2 VAL A 31 14.955 -4.923 5.376 1.00 0.00 C ATOM 0 H VAL A 31 14.338 -7.536 4.068 1.00 0.00 H new ATOM 0 HA VAL A 31 13.008 -5.008 3.376 1.00 0.00 H new ATOM 0 HB VAL A 31 15.973 -5.648 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.247 -3.203 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.523 -3.743 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.501 -3.003 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.845 -4.461 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.081 -4.317 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.828 -5.922 5.792 1.00 0.00 H new ATOM 427 N ALA A 32 13.171 -5.399 0.918 1.00 0.00 N ATOM 428 CA ALA A 32 13.290 -5.517 -0.535 1.00 0.00 C ATOM 429 C ALA A 32 12.073 -4.929 -1.247 1.00 0.00 C ATOM 430 O ALA A 32 10.971 -4.901 -0.699 1.00 0.00 O ATOM 431 CB ALA A 32 13.469 -6.973 -0.941 1.00 0.00 C ATOM 0 H ALA A 32 12.319 -4.935 1.233 1.00 0.00 H new ATOM 0 HA ALA A 32 14.170 -4.949 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.556 -7.040 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.373 -7.371 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.607 -7.552 -0.609 1.00 0.00 H new ATOM 437 N ASP A 33 12.291 -4.460 -2.471 1.00 0.00 N ATOM 438 CA ASP A 33 11.225 -3.884 -3.286 1.00 0.00 C ATOM 439 C ASP A 33 11.096 -4.681 -4.584 1.00 0.00 C ATOM 440 O ASP A 33 11.271 -4.148 -5.679 1.00 0.00 O ATOM 441 CB ASP A 33 11.525 -2.405 -3.579 1.00 0.00 C ATOM 442 CG ASP A 33 11.695 -1.596 -2.308 1.00 0.00 C ATOM 443 OD1 ASP A 33 12.797 -1.640 -1.721 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.726 -0.923 -1.898 1.00 0.00 O ATOM 0 H ASP A 33 13.205 -4.468 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 33 10.280 -3.936 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.432 -2.331 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.715 -1.982 -4.172 1.00 0.00 H new ATOM 449 N LEU A 34 10.786 -5.968 -4.435 1.00 0.00 N ATOM 450 CA LEU A 34 10.662 -6.881 -5.568 1.00 0.00 C ATOM 451 C LEU A 34 9.253 -6.901 -6.147 1.00 0.00 C ATOM 452 O LEU A 34 8.273 -6.910 -5.408 1.00 0.00 O ATOM 453 CB LEU A 34 11.022 -8.291 -5.111 1.00 0.00 C ATOM 454 CG LEU A 34 12.089 -8.350 -4.019 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.107 -9.717 -3.356 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.453 -8.017 -4.596 1.00 0.00 C ATOM 0 H LEU A 34 10.615 -6.405 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 34 11.339 -6.531 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.120 -8.783 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.370 -8.861 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 34 11.844 -7.609 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.874 -9.736 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.134 -9.917 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.326 -10.481 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.203 -8.063 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.703 -8.736 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.433 -7.013 -5.020 1.00 0.00 H new ATOM 468 N ASP A 35 9.167 -6.917 -7.477 1.00 0.00 N ATOM 469 CA ASP A 35 7.887 -6.977 -8.175 1.00 0.00 C ATOM 470 C ASP A 35 6.838 -6.111 -7.494 1.00 0.00 C ATOM 471 O ASP A 35 6.008 -6.608 -6.732 1.00 0.00 O ATOM 472 CB ASP A 35 7.399 -8.426 -8.242 1.00 0.00 C ATOM 473 CG ASP A 35 6.106 -8.567 -9.022 1.00 0.00 C ATOM 474 OD1 ASP A 35 6.175 -8.724 -10.259 1.00 0.00 O ATOM 475 OD2 ASP A 35 5.027 -8.522 -8.397 1.00 0.00 O ATOM 0 H ASP A 35 9.978 -6.889 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 35 8.037 -6.592 -9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.168 -9.044 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.252 -8.804 -7.230 1.00 0.00 H new ATOM 480 N CYS A 36 6.874 -4.816 -7.771 1.00 0.00 N ATOM 481 CA CYS A 36 5.911 -3.897 -7.170 1.00 0.00 C ATOM 482 C CYS A 36 5.240 -3.033 -8.234 1.00 0.00 C ATOM 483 O CYS A 36 5.817 -2.759 -9.286 1.00 0.00 O ATOM 484 CB CYS A 36 6.573 -3.013 -6.108 1.00 0.00 C ATOM 485 SG CYS A 36 5.388 -2.011 -5.155 1.00 0.00 S ATOM 0 H CYS A 36 7.549 -4.379 -8.399 1.00 0.00 H new ATOM 0 HA CYS A 36 5.146 -4.500 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.137 -3.644 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.289 -2.350 -6.593 1.00 0.00 H new ATOM 490 N ALA A 37 4.015 -2.608 -7.941 1.00 0.00 N ATOM 491 CA ALA A 37 3.238 -1.788 -8.867 1.00 0.00 C ATOM 492 C ALA A 37 1.983 -1.243 -8.195 1.00 0.00 C ATOM 493 O ALA A 37 1.792 -1.396 -6.989 1.00 0.00 O ATOM 494 CB ALA A 37 2.855 -2.604 -10.088 1.00 0.00 C ATOM 0 H ALA A 37 3.536 -2.819 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 37 3.856 -0.945 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.276 -1.984 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.757 -2.954 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.256 -3.461 -9.780 1.00 0.00 H new ATOM 500 N ASN A 38 1.132 -0.605 -8.990 1.00 0.00 N ATOM 501 CA ASN A 38 -0.114 -0.039 -8.482 1.00 0.00 C ATOM 502 C ASN A 38 -1.047 -1.149 -7.988 1.00 0.00 C ATOM 503 O ASN A 38 -1.193 -2.181 -8.646 1.00 0.00 O ATOM 504 CB ASN A 38 -0.815 0.783 -9.581 1.00 0.00 C ATOM 505 CG ASN A 38 -1.529 -0.099 -10.588 1.00 0.00 C ATOM 506 OD1 ASN A 38 -2.711 -0.405 -10.434 1.00 0.00 O ATOM 507 ND2 ASN A 38 -0.812 -0.516 -11.626 1.00 0.00 N ATOM 0 H ASN A 38 1.281 -0.466 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 38 0.124 0.617 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.533 1.462 -9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.079 1.399 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.239 -1.114 -12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.165 -0.239 -11.715 1.00 0.00 H new ATOM 514 N PRO A 39 -1.687 -0.958 -6.818 1.00 0.00 N ATOM 515 CA PRO A 39 -2.598 -1.943 -6.243 1.00 0.00 C ATOM 516 C PRO A 39 -4.043 -1.735 -6.693 1.00 0.00 C ATOM 517 O PRO A 39 -4.657 -0.720 -6.365 1.00 0.00 O ATOM 518 CB PRO A 39 -2.462 -1.667 -4.752 1.00 0.00 C ATOM 519 CG PRO A 39 -2.242 -0.193 -4.663 1.00 0.00 C ATOM 520 CD PRO A 39 -1.575 0.231 -5.952 1.00 0.00 C ATOM 0 HA PRO A 39 -2.359 -2.964 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.358 -1.968 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.627 -2.220 -4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.188 0.331 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.616 0.053 -3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.072 1.095 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.534 0.510 -5.790 1.00 0.00 H new ATOM 528 N PRO A 40 -4.615 -2.689 -7.453 1.00 0.00 N ATOM 529 CA PRO A 40 -5.983 -2.579 -7.930 1.00 0.00 C ATOM 530 C PRO A 40 -6.982 -3.217 -6.971 1.00 0.00 C ATOM 531 O PRO A 40 -6.983 -4.435 -6.783 1.00 0.00 O ATOM 532 CB PRO A 40 -5.919 -3.368 -9.233 1.00 0.00 C ATOM 533 CG PRO A 40 -4.917 -4.454 -8.969 1.00 0.00 C ATOM 534 CD PRO A 40 -3.991 -3.947 -7.887 1.00 0.00 C ATOM 0 HA PRO A 40 -6.318 -1.547 -8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.893 -3.782 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.608 -2.736 -10.065 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.416 -5.370 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.359 -4.692 -9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.910 -4.658 -7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.983 -3.783 -8.268 1.00 0.00 H new ATOM 542 N ALA A 41 -7.833 -2.391 -6.372 1.00 0.00 N ATOM 543 CA ALA A 41 -8.845 -2.876 -5.441 1.00 0.00 C ATOM 544 C ALA A 41 -9.753 -1.742 -4.982 1.00 0.00 C ATOM 545 O ALA A 41 -9.639 -0.610 -5.453 1.00 0.00 O ATOM 546 CB ALA A 41 -8.185 -3.540 -4.243 1.00 0.00 C ATOM 0 H ALA A 41 -7.842 -1.381 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.458 -3.613 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.953 -3.897 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.580 -4.382 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.548 -2.818 -3.732 1.00 0.00 H new ATOM 552 N THR A 42 -10.654 -2.058 -4.060 1.00 0.00 N ATOM 553 CA THR A 42 -11.551 -1.067 -3.493 1.00 0.00 C ATOM 554 C THR A 42 -11.155 -0.806 -2.044 1.00 0.00 C ATOM 555 O THR A 42 -11.663 -1.452 -1.127 1.00 0.00 O ATOM 556 CB THR A 42 -13.011 -1.540 -3.545 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.365 -1.900 -4.886 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.939 -0.447 -3.047 1.00 0.00 C ATOM 0 H THR A 42 -10.781 -3.000 -3.689 1.00 0.00 H new ATOM 0 HA THR A 42 -11.469 -0.152 -4.080 1.00 0.00 H new ATOM 0 HB THR A 42 -13.115 -2.413 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.297 -2.202 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.970 -0.798 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.684 -0.194 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.830 0.437 -3.675 1.00 0.00 H new ATOM 566 N LEU A 43 -10.245 0.143 -1.844 1.00 0.00 N ATOM 567 CA LEU A 43 -9.762 0.465 -0.503 1.00 0.00 C ATOM 568 C LEU A 43 -10.883 1.038 0.363 1.00 0.00 C ATOM 569 O LEU A 43 -11.508 2.035 0.003 1.00 0.00 O ATOM 570 CB LEU A 43 -8.586 1.452 -0.564 1.00 0.00 C ATOM 571 CG LEU A 43 -7.482 1.109 -1.578 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.242 1.954 -1.320 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.137 -0.374 -1.533 1.00 0.00 C ATOM 0 H LEU A 43 -9.828 0.701 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.414 -0.463 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.977 2.441 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.137 1.516 0.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.857 1.336 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.470 1.699 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.495 3.010 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.872 1.759 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.354 -0.588 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.786 -0.636 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.024 -0.961 -1.772 1.00 0.00 H new ATOM 585 N ALA A 44 -11.131 0.401 1.508 1.00 0.00 N ATOM 586 CA ALA A 44 -12.185 0.845 2.418 1.00 0.00 C ATOM 587 C ALA A 44 -11.637 1.207 3.798 1.00 0.00 C ATOM 588 O ALA A 44 -12.176 2.086 4.472 1.00 0.00 O ATOM 589 CB ALA A 44 -13.256 -0.224 2.544 1.00 0.00 C ATOM 0 H ALA A 44 -10.618 -0.421 1.826 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.623 1.748 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.035 0.120 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.691 -0.420 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.812 -1.140 2.934 1.00 0.00 H new ATOM 595 N ASN A 45 -10.570 0.531 4.216 1.00 0.00 N ATOM 596 CA ASN A 45 -9.970 0.790 5.519 1.00 0.00 C ATOM 597 C ASN A 45 -8.572 0.180 5.613 1.00 0.00 C ATOM 598 O ASN A 45 -8.069 -0.389 4.643 1.00 0.00 O ATOM 599 CB ASN A 45 -10.871 0.259 6.645 1.00 0.00 C ATOM 600 CG ASN A 45 -10.784 -1.250 6.838 1.00 0.00 C ATOM 601 OD1 ASN A 45 -9.826 -1.752 7.423 1.00 0.00 O ATOM 602 ND2 ASN A 45 -11.797 -1.983 6.373 1.00 0.00 N ATOM 0 H ASN A 45 -10.106 -0.197 3.673 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.873 1.869 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.600 0.752 7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.905 0.530 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.793 -2.995 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.575 -1.531 5.893 1.00 0.00 H new ATOM 609 N ALA A 46 -7.949 0.309 6.784 1.00 0.00 N ATOM 610 CA ALA A 46 -6.602 -0.217 7.006 1.00 0.00 C ATOM 611 C ALA A 46 -6.498 -1.690 6.627 1.00 0.00 C ATOM 612 O ALA A 46 -5.695 -2.065 5.771 1.00 0.00 O ATOM 613 CB ALA A 46 -6.192 -0.020 8.458 1.00 0.00 C ATOM 0 H ALA A 46 -8.356 0.774 7.595 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.922 0.339 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.188 -0.416 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.203 1.043 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.891 -0.546 9.108 1.00 0.00 H new ATOM 619 N THR A 47 -7.313 -2.519 7.265 1.00 0.00 N ATOM 620 CA THR A 47 -7.313 -3.947 7.006 1.00 0.00 C ATOM 621 C THR A 47 -7.701 -4.237 5.563 1.00 0.00 C ATOM 622 O THR A 47 -7.166 -5.153 4.938 1.00 0.00 O ATOM 623 CB THR A 47 -8.279 -4.671 7.958 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.772 -4.626 9.298 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.484 -6.114 7.538 1.00 0.00 C ATOM 0 H THR A 47 -7.987 -2.221 7.971 1.00 0.00 H new ATOM 0 HA THR A 47 -6.302 -4.316 7.178 1.00 0.00 H new ATOM 0 HB THR A 47 -9.241 -4.161 7.914 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.394 -5.088 9.899 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.172 -6.600 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.900 -6.144 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.527 -6.636 7.551 1.00 0.00 H new ATOM 633 N HIS A 48 -8.635 -3.451 5.038 1.00 0.00 N ATOM 634 CA HIS A 48 -9.082 -3.621 3.665 1.00 0.00 C ATOM 635 C HIS A 48 -7.916 -3.404 2.711 1.00 0.00 C ATOM 636 O HIS A 48 -7.837 -4.030 1.653 1.00 0.00 O ATOM 637 CB HIS A 48 -10.208 -2.641 3.348 1.00 0.00 C ATOM 638 CG HIS A 48 -11.155 -3.141 2.301 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.506 -3.307 2.523 1.00 0.00 N ATOM 640 CD2 HIS A 48 -10.940 -3.512 1.015 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.080 -3.758 1.421 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.152 -3.890 0.492 1.00 0.00 N ATOM 0 H HIS A 48 -9.094 -2.693 5.543 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.460 -4.636 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.765 -2.432 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.775 -1.697 3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.992 -3.511 0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.130 -3.981 1.301 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.310 -4.219 -0.460 1.00 0.00 H new ATOM 651 N PHE A 49 -7.013 -2.508 3.098 1.00 0.00 N ATOM 652 CA PHE A 49 -5.837 -2.211 2.292 1.00 0.00 C ATOM 653 C PHE A 49 -4.868 -3.386 2.324 1.00 0.00 C ATOM 654 O PHE A 49 -4.267 -3.735 1.308 1.00 0.00 O ATOM 655 CB PHE A 49 -5.142 -0.939 2.798 1.00 0.00 C ATOM 656 CG PHE A 49 -3.869 -0.617 2.065 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.834 -0.612 0.679 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.710 -0.324 2.762 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.664 -0.323 0.004 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.536 -0.034 2.092 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.514 -0.033 0.712 1.00 0.00 C ATOM 0 H PHE A 49 -7.075 -1.975 3.966 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.157 -2.044 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.829 -0.098 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.922 -1.053 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.731 -0.836 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.723 -0.322 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.648 -0.324 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.638 0.191 2.647 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.598 0.194 0.186 1.00 0.00 H new ATOM 671 N GLU A 50 -4.721 -3.995 3.498 1.00 0.00 N ATOM 672 CA GLU A 50 -3.835 -5.139 3.652 1.00 0.00 C ATOM 673 C GLU A 50 -4.337 -6.307 2.811 1.00 0.00 C ATOM 674 O GLU A 50 -3.550 -7.110 2.308 1.00 0.00 O ATOM 675 CB GLU A 50 -3.744 -5.545 5.124 1.00 0.00 C ATOM 676 CG GLU A 50 -2.793 -6.703 5.375 1.00 0.00 C ATOM 677 CD GLU A 50 -1.352 -6.354 5.059 1.00 0.00 C ATOM 678 OE1 GLU A 50 -0.650 -5.854 5.963 1.00 0.00 O ATOM 679 OE2 GLU A 50 -0.926 -6.580 3.908 1.00 0.00 O ATOM 0 H GLU A 50 -5.203 -3.715 4.352 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.839 -4.861 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.420 -4.685 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.738 -5.817 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.868 -7.010 6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.098 -7.556 4.769 1.00 0.00 H new ATOM 686 N SER A 51 -5.656 -6.389 2.667 1.00 0.00 N ATOM 687 CA SER A 51 -6.288 -7.428 1.895 1.00 0.00 C ATOM 688 C SER A 51 -6.058 -7.222 0.397 1.00 0.00 C ATOM 689 O SER A 51 -6.110 -8.173 -0.384 1.00 0.00 O ATOM 690 CB SER A 51 -7.784 -7.411 2.209 1.00 0.00 C ATOM 691 OG SER A 51 -8.019 -7.614 3.592 1.00 0.00 O ATOM 0 H SER A 51 -6.310 -5.729 3.088 1.00 0.00 H new ATOM 0 HA SER A 51 -5.855 -8.393 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.212 -6.457 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.288 -8.188 1.634 1.00 0.00 H new ATOM 0 HG SER A 51 -7.747 -6.815 4.091 1.00 0.00 H new ATOM 697 N THR A 52 -5.804 -5.975 0.006 1.00 0.00 N ATOM 698 CA THR A 52 -5.570 -5.640 -1.397 1.00 0.00 C ATOM 699 C THR A 52 -4.273 -6.257 -1.907 1.00 0.00 C ATOM 700 O THR A 52 -4.224 -6.797 -3.012 1.00 0.00 O ATOM 701 CB THR A 52 -5.515 -4.113 -1.606 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.789 -3.531 -1.306 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.121 -3.767 -3.037 1.00 0.00 C ATOM 0 H THR A 52 -5.755 -5.179 0.642 1.00 0.00 H new ATOM 0 HA THR A 52 -6.407 -6.050 -1.962 1.00 0.00 H new ATOM 0 HB THR A 52 -4.759 -3.709 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.032 -3.736 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.091 -2.684 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.137 -4.183 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.853 -4.186 -3.727 1.00 0.00 H new ATOM 711 N CYS A 53 -3.227 -6.172 -1.095 1.00 0.00 N ATOM 712 CA CYS A 53 -1.926 -6.712 -1.467 1.00 0.00 C ATOM 713 C CYS A 53 -1.872 -8.222 -1.271 1.00 0.00 C ATOM 714 O CYS A 53 -1.122 -8.912 -1.956 1.00 0.00 O ATOM 715 CB CYS A 53 -0.823 -6.042 -0.649 1.00 0.00 C ATOM 716 SG CYS A 53 -0.798 -4.227 -0.781 1.00 0.00 S ATOM 0 H CYS A 53 -3.254 -5.734 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.770 -6.503 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.944 -6.318 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.142 -6.432 -0.972 1.00 0.00 H new ATOM 721 N ALA A 54 -2.681 -8.733 -0.348 1.00 0.00 N ATOM 722 CA ALA A 54 -2.708 -10.159 -0.060 1.00 0.00 C ATOM 723 C ALA A 54 -3.490 -10.899 -1.129 1.00 0.00 C ATOM 724 O ALA A 54 -3.348 -12.110 -1.307 1.00 0.00 O ATOM 725 CB ALA A 54 -3.323 -10.399 1.307 1.00 0.00 C ATOM 0 H ALA A 54 -3.327 -8.178 0.213 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.686 -10.538 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.340 -11.469 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.730 -9.890 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.341 -10.011 1.321 1.00 0.00 H new ATOM 731 N ALA A 55 -4.316 -10.148 -1.837 1.00 0.00 N ATOM 732 CA ALA A 55 -5.149 -10.684 -2.894 1.00 0.00 C ATOM 733 C ALA A 55 -4.325 -11.236 -4.051 1.00 0.00 C ATOM 734 O ALA A 55 -4.677 -12.257 -4.641 1.00 0.00 O ATOM 735 CB ALA A 55 -6.082 -9.601 -3.383 1.00 0.00 C ATOM 0 H ALA A 55 -4.426 -9.144 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.722 -11.517 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.713 -9.996 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.709 -9.261 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.499 -8.763 -3.765 1.00 0.00 H new ATOM 741 N ILE A 56 -3.227 -10.558 -4.372 1.00 0.00 N ATOM 742 CA ILE A 56 -2.375 -10.980 -5.479 1.00 0.00 C ATOM 743 C ILE A 56 -1.084 -11.654 -5.010 1.00 0.00 C ATOM 744 O ILE A 56 -0.223 -11.984 -5.827 1.00 0.00 O ATOM 745 CB ILE A 56 -2.043 -9.796 -6.410 1.00 0.00 C ATOM 746 CG1 ILE A 56 -1.766 -8.527 -5.595 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.191 -9.572 -7.386 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.556 -7.288 -6.443 1.00 0.00 C ATOM 0 H ILE A 56 -2.908 -9.720 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.947 -11.722 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.142 -10.033 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.601 -8.354 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.881 -8.688 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.953 -8.735 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.340 -10.471 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.102 -9.350 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.366 -6.432 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.703 -7.440 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.448 -7.100 -7.040 1.00 0.00 H new ATOM 760 N GLY A 57 -0.948 -11.861 -3.701 1.00 0.00 N ATOM 761 CA GLY A 57 0.240 -12.527 -3.179 1.00 0.00 C ATOM 762 C GLY A 57 1.339 -11.572 -2.735 1.00 0.00 C ATOM 763 O GLY A 57 2.515 -11.817 -3.002 1.00 0.00 O ATOM 0 H GLY A 57 -1.631 -11.583 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.048 -13.152 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.638 -13.192 -3.946 1.00 0.00 H new ATOM 767 N GLN A 58 0.969 -10.488 -2.058 1.00 0.00 N ATOM 768 CA GLN A 58 1.948 -9.515 -1.578 1.00 0.00 C ATOM 769 C GLN A 58 1.483 -8.854 -0.283 1.00 0.00 C ATOM 770 O GLN A 58 0.425 -9.189 0.252 1.00 0.00 O ATOM 771 CB GLN A 58 2.210 -8.448 -2.644 1.00 0.00 C ATOM 772 CG GLN A 58 3.148 -8.914 -3.754 1.00 0.00 C ATOM 773 CD GLN A 58 3.309 -7.887 -4.856 1.00 0.00 C ATOM 774 OE1 GLN A 58 4.196 -7.037 -4.802 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.453 -7.962 -5.866 1.00 0.00 N ATOM 0 H GLN A 58 0.001 -10.261 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 58 2.875 -10.051 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.260 -8.145 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.635 -7.565 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.125 -9.138 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.766 -9.841 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.732 -8.683 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.516 -7.298 -6.638 1.00 0.00 H new ATOM 784 N ARG A 59 2.287 -7.920 0.220 1.00 0.00 N ATOM 785 CA ARG A 59 1.959 -7.206 1.455 1.00 0.00 C ATOM 786 C ARG A 59 1.812 -5.708 1.200 1.00 0.00 C ATOM 787 O ARG A 59 2.270 -5.195 0.178 1.00 0.00 O ATOM 788 CB ARG A 59 3.035 -7.449 2.517 1.00 0.00 C ATOM 789 CG ARG A 59 3.115 -8.892 2.986 1.00 0.00 C ATOM 790 CD ARG A 59 4.056 -9.039 4.171 1.00 0.00 C ATOM 791 NE ARG A 59 3.637 -8.221 5.305 1.00 0.00 N ATOM 792 CZ ARG A 59 4.327 -8.114 6.437 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.471 -8.769 6.587 1.00 0.00 N ATOM 794 NH2 ARG A 59 3.874 -7.348 7.418 1.00 0.00 N ATOM 0 H ARG A 59 3.170 -7.639 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 59 1.006 -7.590 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.004 -7.153 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.837 -6.808 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.121 -9.242 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.458 -9.524 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.097 -10.085 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.064 -8.754 3.871 1.00 0.00 H new ATOM 0 HE ARG A 59 2.763 -7.701 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.824 -9.357 5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.997 -8.684 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.996 -6.841 7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.403 -7.266 8.286 1.00 0.00 H new ATOM 808 N ALA A 60 1.173 -5.011 2.140 1.00 0.00 N ATOM 809 CA ALA A 60 0.958 -3.572 2.021 1.00 0.00 C ATOM 810 C ALA A 60 2.236 -2.799 2.322 1.00 0.00 C ATOM 811 O ALA A 60 2.778 -2.885 3.425 1.00 0.00 O ATOM 812 CB ALA A 60 -0.162 -3.137 2.955 1.00 0.00 C ATOM 0 H ALA A 60 0.795 -5.422 2.993 1.00 0.00 H new ATOM 0 HA ALA A 60 0.670 -3.350 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.317 -2.062 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.081 -3.661 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.108 -3.376 3.983 1.00 0.00 H new ATOM 818 N ARG A 61 2.714 -2.039 1.338 1.00 0.00 N ATOM 819 CA ARG A 61 3.936 -1.257 1.506 1.00 0.00 C ATOM 820 C ARG A 61 3.798 0.133 0.893 1.00 0.00 C ATOM 821 O ARG A 61 3.742 0.284 -0.328 1.00 0.00 O ATOM 822 CB ARG A 61 5.125 -1.986 0.872 1.00 0.00 C ATOM 823 CG ARG A 61 5.348 -3.381 1.433 1.00 0.00 C ATOM 824 CD ARG A 61 6.138 -3.343 2.734 1.00 0.00 C ATOM 825 NE ARG A 61 5.916 -4.537 3.547 1.00 0.00 N ATOM 826 CZ ARG A 61 6.623 -4.831 4.634 1.00 0.00 C ATOM 827 NH1 ARG A 61 7.606 -4.032 5.030 1.00 0.00 N ATOM 828 NH2 ARG A 61 6.349 -5.929 5.326 1.00 0.00 N ATOM 0 H ARG A 61 2.276 -1.949 0.421 1.00 0.00 H new ATOM 0 HA ARG A 61 4.110 -1.142 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.966 -2.056 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.027 -1.393 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.385 -3.863 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.881 -3.987 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.201 -3.250 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.854 -2.459 3.304 1.00 0.00 H new ATOM 0 HE ARG A 61 5.177 -5.181 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.822 -3.188 4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.145 -4.262 5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.596 -6.547 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.891 -6.155 6.160 1.00 0.00 H new ATOM 842 N CYS A 62 3.745 1.145 1.753 1.00 0.00 N ATOM 843 CA CYS A 62 3.634 2.528 1.307 1.00 0.00 C ATOM 844 C CYS A 62 5.002 3.031 0.858 1.00 0.00 C ATOM 845 O CYS A 62 5.839 3.384 1.688 1.00 0.00 O ATOM 846 CB CYS A 62 3.097 3.419 2.438 1.00 0.00 C ATOM 847 SG CYS A 62 1.544 2.833 3.187 1.00 0.00 S ATOM 0 H CYS A 62 3.777 1.032 2.766 1.00 0.00 H new ATOM 0 HA CYS A 62 2.936 2.572 0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.856 3.493 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.941 4.425 2.048 1.00 0.00 H new ATOM 852 N CYS A 63 5.239 3.043 -0.451 1.00 0.00 N ATOM 853 CA CYS A 63 6.525 3.500 -0.975 1.00 0.00 C ATOM 854 C CYS A 63 6.475 4.959 -1.408 1.00 0.00 C ATOM 855 O CYS A 63 5.505 5.418 -2.010 1.00 0.00 O ATOM 856 CB CYS A 63 6.996 2.617 -2.135 1.00 0.00 C ATOM 857 SG CYS A 63 7.685 1.019 -1.602 1.00 0.00 S ATOM 0 H CYS A 63 4.569 2.746 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 63 7.246 3.418 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.157 2.435 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.751 3.156 -2.707 1.00 0.00 H new ATOM 862 N VAL A 64 7.544 5.676 -1.084 1.00 0.00 N ATOM 863 CA VAL A 64 7.676 7.088 -1.416 1.00 0.00 C ATOM 864 C VAL A 64 8.485 7.262 -2.697 1.00 0.00 C ATOM 865 O VAL A 64 9.394 6.480 -2.981 1.00 0.00 O ATOM 866 CB VAL A 64 8.329 7.862 -0.240 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.228 6.956 0.570 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.110 9.071 -0.711 1.00 0.00 C ATOM 0 H VAL A 64 8.345 5.293 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 64 6.681 7.500 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 64 7.513 8.216 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.673 7.522 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.643 6.131 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.017 6.560 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.548 9.579 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.904 8.751 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.442 9.754 -1.235 1.00 0.00 H new ATOM 878 N LEU A 65 8.142 8.292 -3.466 1.00 0.00 N ATOM 879 CA LEU A 65 8.820 8.574 -4.729 1.00 0.00 C ATOM 880 C LEU A 65 10.341 8.574 -4.558 1.00 0.00 C ATOM 881 O LEU A 65 10.860 9.133 -3.592 1.00 0.00 O ATOM 882 CB LEU A 65 8.357 9.921 -5.287 1.00 0.00 C ATOM 883 CG LEU A 65 7.171 9.850 -6.249 1.00 0.00 C ATOM 884 CD1 LEU A 65 6.566 11.228 -6.453 1.00 0.00 C ATOM 885 CD2 LEU A 65 7.598 9.254 -7.583 1.00 0.00 C ATOM 0 H LEU A 65 7.396 8.948 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 65 8.559 7.783 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.090 10.570 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.195 10.391 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 65 6.413 9.202 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.723 11.157 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.221 11.619 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.319 11.898 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.740 9.212 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.376 9.876 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.985 8.247 -7.425 1.00 0.00 H new ATOM 897 N PRO A 66 11.078 7.945 -5.499 1.00 0.00 N ATOM 898 CA PRO A 66 12.544 7.873 -5.437 1.00 0.00 C ATOM 899 C PRO A 66 13.207 9.245 -5.453 1.00 0.00 C ATOM 900 O PRO A 66 12.823 10.125 -6.225 1.00 0.00 O ATOM 901 CB PRO A 66 12.928 7.091 -6.699 1.00 0.00 C ATOM 902 CG PRO A 66 11.689 6.364 -7.097 1.00 0.00 C ATOM 903 CD PRO A 66 10.550 7.254 -6.691 1.00 0.00 C ATOM 0 HA PRO A 66 12.875 7.407 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.264 7.761 -7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.745 6.398 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.674 6.173 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.626 5.396 -6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.286 7.957 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.652 6.681 -6.461 1.00 0.00 H new ATOM 911 N ILE A 67 14.209 9.413 -4.598 1.00 0.00 N ATOM 912 CA ILE A 67 14.945 10.668 -4.506 1.00 0.00 C ATOM 913 C ILE A 67 16.446 10.408 -4.591 1.00 0.00 C ATOM 914 O ILE A 67 17.055 9.928 -3.635 1.00 0.00 O ATOM 915 CB ILE A 67 14.628 11.418 -3.195 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.127 11.699 -3.081 1.00 0.00 C ATOM 917 CG2 ILE A 67 15.423 12.713 -3.112 1.00 0.00 C ATOM 918 CD1 ILE A 67 12.578 12.546 -4.208 1.00 0.00 C ATOM 0 H ILE A 67 14.532 8.690 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 67 14.632 11.292 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 67 14.921 10.782 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.590 10.751 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.931 12.201 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.185 13.227 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.489 12.488 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.165 13.353 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.510 12.702 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.088 13.509 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.741 12.037 -5.158 1.00 0.00 H new ATOM 930 N LEU A 68 17.033 10.717 -5.744 1.00 0.00 N ATOM 931 CA LEU A 68 18.462 10.507 -5.962 1.00 0.00 C ATOM 932 C LEU A 68 19.281 11.016 -4.782 1.00 0.00 C ATOM 933 O LEU A 68 19.239 12.200 -4.444 1.00 0.00 O ATOM 934 CB LEU A 68 18.909 11.199 -7.255 1.00 0.00 C ATOM 935 CG LEU A 68 19.158 10.289 -8.473 1.00 0.00 C ATOM 936 CD1 LEU A 68 18.121 9.185 -8.542 1.00 0.00 C ATOM 937 CD2 LEU A 68 19.136 11.109 -9.741 1.00 0.00 C ATOM 0 H LEU A 68 16.540 11.115 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 68 18.634 9.435 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.152 11.934 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.827 11.749 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 68 20.139 9.826 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.317 8.555 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.172 8.581 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.127 9.624 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.313 10.459 -10.598 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.164 11.591 -9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.915 11.870 -9.696 1.00 0.00 H new ATOM 949 N GLY A 69 20.028 10.109 -4.162 1.00 0.00 N ATOM 950 CA GLY A 69 20.850 10.471 -3.022 1.00 0.00 C ATOM 951 C GLY A 69 20.431 9.756 -1.749 1.00 0.00 C ATOM 952 O GLY A 69 21.138 9.807 -0.743 1.00 0.00 O ATOM 0 H GLY A 69 20.079 9.126 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.892 10.236 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.793 11.548 -2.865 1.00 0.00 H new ATOM 956 N GLN A 70 19.280 9.088 -1.793 1.00 0.00 N ATOM 957 CA GLN A 70 18.774 8.364 -0.632 1.00 0.00 C ATOM 958 C GLN A 70 18.205 7.014 -1.026 1.00 0.00 C ATOM 959 O GLN A 70 18.001 6.719 -2.204 1.00 0.00 O ATOM 960 CB GLN A 70 17.698 9.182 0.085 1.00 0.00 C ATOM 961 CG GLN A 70 16.357 9.193 -0.638 1.00 0.00 C ATOM 962 CD GLN A 70 15.347 10.126 0.002 1.00 0.00 C ATOM 963 OE1 GLN A 70 15.823 11.245 0.535 1.00 0.00 O flip ATOM 964 NE2 GLN A 70 14.146 9.851 0.005 1.00 0.00 N flip ATOM 0 H GLN A 70 18.683 9.034 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 70 19.615 8.202 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.557 8.781 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.049 10.208 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.512 9.490 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.950 8.182 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.821 8.980 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.477 10.494 0.428 1.00 0.00 H new ATOM 973 N ASP A 71 17.951 6.206 -0.013 1.00 0.00 N ATOM 974 CA ASP A 71 17.396 4.872 -0.201 1.00 0.00 C ATOM 975 C ASP A 71 15.875 4.942 -0.307 1.00 0.00 C ATOM 976 O ASP A 71 15.276 5.987 -0.054 1.00 0.00 O ATOM 977 CB ASP A 71 17.804 3.965 0.965 1.00 0.00 C ATOM 978 CG ASP A 71 17.391 2.521 0.755 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.139 1.781 0.083 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.319 2.131 1.262 1.00 0.00 O ATOM 0 H ASP A 71 18.122 6.452 0.962 1.00 0.00 H new ATOM 0 HA ASP A 71 17.791 4.455 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 71 18.885 4.014 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.353 4.338 1.885 1.00 0.00 H new ATOM 985 N ILE A 72 15.254 3.829 -0.684 1.00 0.00 N ATOM 986 CA ILE A 72 13.803 3.777 -0.822 1.00 0.00 C ATOM 987 C ILE A 72 13.138 3.529 0.535 1.00 0.00 C ATOM 988 O ILE A 72 13.481 2.584 1.245 1.00 0.00 O ATOM 989 CB ILE A 72 13.369 2.689 -1.837 1.00 0.00 C ATOM 990 CG1 ILE A 72 11.887 2.851 -2.183 1.00 0.00 C ATOM 991 CG2 ILE A 72 13.641 1.289 -1.297 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.418 1.927 -3.287 1.00 0.00 C ATOM 0 H ILE A 72 15.731 2.953 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 72 13.475 4.744 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 72 13.960 2.817 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.291 2.667 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.703 3.883 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.326 0.548 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.707 1.175 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.085 1.142 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.359 2.097 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.988 2.126 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.570 0.891 -2.984 1.00 0.00 H new ATOM 1004 N LEU A 73 12.196 4.400 0.900 1.00 0.00 N ATOM 1005 CA LEU A 73 11.495 4.282 2.174 1.00 0.00 C ATOM 1006 C LEU A 73 10.148 3.583 2.000 1.00 0.00 C ATOM 1007 O LEU A 73 9.224 4.131 1.401 1.00 0.00 O ATOM 1008 CB LEU A 73 11.302 5.672 2.804 1.00 0.00 C ATOM 1009 CG LEU A 73 12.550 6.280 3.457 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.109 5.350 4.524 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.610 6.589 2.410 1.00 0.00 C ATOM 0 H LEU A 73 11.903 5.193 0.330 1.00 0.00 H new ATOM 0 HA LEU A 73 12.104 3.673 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.947 6.355 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.516 5.605 3.556 1.00 0.00 H new ATOM 0 HG LEU A 73 12.259 7.215 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.993 5.802 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.355 5.185 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.379 4.397 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.486 7.019 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.894 5.670 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.210 7.299 1.686 1.00 0.00 H new ATOM 1023 N CYS A 74 10.043 2.363 2.527 1.00 0.00 N ATOM 1024 CA CYS A 74 8.807 1.590 2.430 1.00 0.00 C ATOM 1025 C CYS A 74 8.595 0.730 3.678 1.00 0.00 C ATOM 1026 O CYS A 74 9.505 0.022 4.111 1.00 0.00 O ATOM 1027 CB CYS A 74 8.836 0.687 1.194 1.00 0.00 C ATOM 1028 SG CYS A 74 9.206 1.555 -0.364 1.00 0.00 S ATOM 0 H CYS A 74 10.798 1.890 3.024 1.00 0.00 H new ATOM 0 HA CYS A 74 7.982 2.297 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.581 -0.093 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.870 0.191 1.099 1.00 0.00 H new ATOM 1033 N GLN A 75 7.394 0.796 4.255 1.00 0.00 N ATOM 1034 CA GLN A 75 7.073 0.006 5.441 1.00 0.00 C ATOM 1035 C GLN A 75 5.561 -0.116 5.617 1.00 0.00 C ATOM 1036 O GLN A 75 4.792 0.614 4.989 1.00 0.00 O ATOM 1037 CB GLN A 75 7.701 0.627 6.694 1.00 0.00 C ATOM 1038 CG GLN A 75 6.951 1.843 7.223 1.00 0.00 C ATOM 1039 CD GLN A 75 7.498 2.334 8.550 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.412 3.156 8.593 1.00 0.00 O ATOM 1041 NE2 GLN A 75 6.935 1.831 9.643 1.00 0.00 N ATOM 0 H GLN A 75 6.632 1.386 3.921 1.00 0.00 H new ATOM 0 HA GLN A 75 7.489 -0.992 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.747 -0.129 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.728 0.915 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.009 2.648 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.897 1.593 7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.179 1.151 9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.259 2.125 10.565 1.00 0.00 H new ATOM 1050 N THR A 76 5.141 -1.043 6.475 1.00 0.00 N ATOM 1051 CA THR A 76 3.725 -1.267 6.735 1.00 0.00 C ATOM 1052 C THR A 76 3.182 -0.240 7.734 1.00 0.00 C ATOM 1053 O THR A 76 3.833 0.056 8.736 1.00 0.00 O ATOM 1054 CB THR A 76 3.492 -2.686 7.285 1.00 0.00 C ATOM 1055 OG1 THR A 76 4.045 -3.655 6.386 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.011 -2.963 7.479 1.00 0.00 C ATOM 0 H THR A 76 5.766 -1.652 7.003 1.00 0.00 H new ATOM 0 HA THR A 76 3.194 -1.156 5.789 1.00 0.00 H new ATOM 0 HB THR A 76 3.987 -2.757 8.254 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.710 -3.489 5.480 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.878 -3.972 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.596 -2.244 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.495 -2.872 6.523 1.00 0.00 H new ATOM 1064 N PRO A 77 1.980 0.321 7.476 1.00 0.00 N ATOM 1065 CA PRO A 77 1.372 1.317 8.353 1.00 0.00 C ATOM 1066 C PRO A 77 0.543 0.695 9.472 1.00 0.00 C ATOM 1067 O PRO A 77 -0.203 -0.259 9.249 1.00 0.00 O ATOM 1068 CB PRO A 77 0.473 2.090 7.395 1.00 0.00 C ATOM 1069 CG PRO A 77 0.030 1.076 6.393 1.00 0.00 C ATOM 1070 CD PRO A 77 1.120 0.033 6.312 1.00 0.00 C ATOM 0 HA PRO A 77 2.117 1.923 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.377 2.529 7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.012 2.909 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.915 0.624 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.133 1.540 5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.711 -0.976 6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.676 0.109 5.377 1.00 0.00 H new ATOM 1078 N ALA A 78 0.683 1.246 10.675 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.052 0.765 11.844 1.00 0.00 C ATOM 1080 C ALA A 78 0.303 -0.681 12.185 1.00 0.00 C ATOM 1081 O ALA A 78 -0.264 -1.262 13.111 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.551 0.904 11.621 1.00 0.00 C ATOM 0 H ALA A 78 1.304 2.032 10.867 1.00 0.00 H new ATOM 0 HA ALA A 78 0.241 1.383 12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.085 0.542 12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.798 1.952 11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.845 0.318 10.751 1.00 0.00 H new ATOM 1088 N GLY A 79 1.237 -1.258 11.435 1.00 0.00 N ATOM 1089 CA GLY A 79 1.646 -2.625 11.683 1.00 0.00 C ATOM 1090 C GLY A 79 0.588 -3.627 11.271 1.00 0.00 C ATOM 1091 O GLY A 79 0.332 -4.598 11.984 1.00 0.00 O ATOM 0 H GLY A 79 1.717 -0.801 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.568 -2.830 11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.867 -2.749 12.743 1.00 0.00 H new ATOM 1095 N LEU A 80 -0.029 -3.385 10.119 1.00 0.00 N ATOM 1096 CA LEU A 80 -1.069 -4.270 9.600 1.00 0.00 C ATOM 1097 C LEU A 80 -0.600 -5.722 9.580 1.00 0.00 C ATOM 1098 O LEU A 80 -0.937 -6.464 10.527 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.476 -3.838 8.192 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.331 -2.576 8.122 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.288 -1.983 6.728 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.761 -2.894 8.522 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.101 -6.104 8.620 1.00 0.00 O ATOM 0 H LEU A 80 0.173 -2.581 9.525 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.931 -4.198 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.573 -3.679 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.023 -4.655 7.722 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.928 -1.840 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.903 -1.084 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.259 -1.728 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.670 -2.710 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.364 -1.987 8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.171 -3.642 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.776 -3.281 9.541 1.00 0.00 H new TER 1115 LEU A 80