USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 77 THR OG1 : rot 170:sc= -0.385 USER MOD Set 1.2: A 81 THR OG1 : rot 86:sc= 0.805 USER MOD Set 2.1: A 71 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.2!) USER MOD Set 2.2: A 73 THR OG1 : rot -169:sc= 0.0128 USER MOD Set 3.1: A 6 TYR OH : rot 63:sc= 1.26 USER MOD Set 3.2: A 11 MET CE :methyl 140:sc= -1.4 (180deg=-4.13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.05 F(o=-3!,f=-1) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0.356 (180deg=-0.938) USER MOD Single : A 63 MET CE :methyl 164:sc= -0.578 (180deg=-1.1) USER MOD Single : A 64 MET CE :methyl -127:sc= -0.261 (180deg=-1.63) USER MOD Single : A 67 THR OG1 : rot 150:sc= 0.402 USER MOD Single : A 69 SER OG : rot 127:sc= 0.159 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= -0.0153 (180deg=-0.12) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.129 K(o=-0.13,f=-5.1!) USER MOD Single : A 87 SER OG : rot 79:sc= 1.19 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 92 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.047) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.28 K(o=-2.3,f=-6.9!) USER MOD Single : A 102 SER OG : rot 143:sc= -1.12! USER MOD Single : A 108 MET CE :methyl -174:sc= -2.16 (180deg=-2.28) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -55:sc= -0.625 USER MOD Single : A 119 LYS NZ :NH3+ -126:sc= 0.735 (180deg=0) USER MOD Single : A 124 SER OG : rot 81:sc= 1.22 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.281 F(o=-4.4!,f=-0.28) USER MOD Single : A 128 CYS SG : rot 57:sc= 0.122 USER MOD Single : A 132 THR OG1 : rot -19:sc= -1.6! USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl -145:sc= -3.99! (180deg=-6.78!) USER MOD Single : A 138 TYR OH : rot 77:sc= 0.0211 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.692 -22.086 6.068 1.00 0.00 N ATOM 2 CA GLY A 1 4.519 -20.784 5.377 1.00 0.00 C ATOM 3 C GLY A 1 4.690 -19.618 6.329 1.00 0.00 C ATOM 4 O GLY A 1 5.793 -19.382 6.830 1.00 0.00 O ATOM 0 H1 GLY A 1 4.568 -22.861 5.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.646 -22.137 6.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.984 -22.174 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.244 -20.702 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.529 -20.741 4.923 1.00 0.00 H new ATOM 10 N ASP A 2 3.592 -18.897 6.580 1.00 0.00 N ATOM 11 CA ASP A 2 3.567 -17.776 7.524 1.00 0.00 C ATOM 12 C ASP A 2 4.368 -16.575 7.024 1.00 0.00 C ATOM 13 O ASP A 2 5.586 -16.646 6.848 1.00 0.00 O ATOM 14 CB ASP A 2 4.066 -18.199 8.915 1.00 0.00 C ATOM 15 CG ASP A 2 4.212 -17.015 9.862 1.00 0.00 C ATOM 16 OD1 ASP A 2 3.197 -16.337 10.127 1.00 0.00 O ATOM 17 OD2 ASP A 2 5.340 -16.756 10.338 1.00 0.00 O ATOM 0 H ASP A 2 2.693 -19.076 6.132 1.00 0.00 H new ATOM 0 HA ASP A 2 2.524 -17.470 7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.371 -18.921 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.028 -18.703 8.816 1.00 0.00 H new ATOM 22 N ILE A 3 3.665 -15.471 6.797 1.00 0.00 N ATOM 23 CA ILE A 3 4.291 -14.190 6.485 1.00 0.00 C ATOM 24 C ILE A 3 3.681 -13.116 7.400 1.00 0.00 C ATOM 25 O ILE A 3 3.880 -11.910 7.224 1.00 0.00 O ATOM 26 CB ILE A 3 4.105 -13.829 4.983 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.022 -12.658 4.584 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.642 -13.504 4.676 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.016 -12.351 3.100 1.00 0.00 C ATOM 0 H ILE A 3 2.646 -15.438 6.824 1.00 0.00 H new ATOM 0 HA ILE A 3 5.365 -14.250 6.663 1.00 0.00 H new ATOM 0 HB ILE A 3 4.388 -14.698 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.715 -11.766 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.042 -12.886 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.538 -13.255 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.021 -14.369 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.323 -12.656 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.686 -11.515 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.353 -13.227 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.005 -12.090 2.787 1.00 0.00 H new ATOM 41 N ARG A 4 2.964 -13.601 8.418 1.00 0.00 N ATOM 42 CA ARG A 4 2.218 -12.763 9.355 1.00 0.00 C ATOM 43 C ARG A 4 3.145 -11.845 10.152 1.00 0.00 C ATOM 44 O ARG A 4 2.796 -10.697 10.451 1.00 0.00 O ATOM 45 CB ARG A 4 1.430 -13.670 10.309 1.00 0.00 C ATOM 46 CG ARG A 4 0.797 -12.954 11.501 1.00 0.00 C ATOM 47 CD ARG A 4 0.758 -13.866 12.720 1.00 0.00 C ATOM 48 NE ARG A 4 2.090 -14.410 13.008 1.00 0.00 N ATOM 49 CZ ARG A 4 2.320 -15.585 13.593 1.00 0.00 C ATOM 50 NH1 ARG A 4 1.312 -16.321 14.046 1.00 0.00 N ATOM 51 NH2 ARG A 4 3.567 -16.015 13.723 1.00 0.00 N ATOM 0 H ARG A 4 2.886 -14.599 8.615 1.00 0.00 H new ATOM 0 HA ARG A 4 1.538 -12.127 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.643 -14.170 9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.097 -14.447 10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.365 -12.053 11.733 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.214 -12.637 11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.393 -13.310 13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.057 -14.682 12.547 1.00 0.00 H new ATOM 0 HE ARG A 4 2.898 -13.848 12.741 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.353 -15.988 13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.497 -17.219 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.341 -15.448 13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.753 -16.913 14.169 1.00 0.00 H new ATOM 65 N ASP A 5 4.318 -12.357 10.510 1.00 0.00 N ATOM 66 CA ASP A 5 5.294 -11.572 11.260 1.00 0.00 C ATOM 67 C ASP A 5 5.661 -10.315 10.488 1.00 0.00 C ATOM 68 O ASP A 5 5.658 -9.218 11.048 1.00 0.00 O ATOM 69 CB ASP A 5 6.544 -12.402 11.584 1.00 0.00 C ATOM 70 CG ASP A 5 6.336 -13.339 12.767 1.00 0.00 C ATOM 71 OD1 ASP A 5 5.293 -14.026 12.822 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.208 -13.376 13.663 1.00 0.00 O ATOM 0 H ASP A 5 4.616 -13.308 10.294 1.00 0.00 H new ATOM 0 HA ASP A 5 4.842 -11.278 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.825 -12.986 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.375 -11.731 11.799 1.00 0.00 H new ATOM 77 N TYR A 6 5.939 -10.471 9.192 1.00 0.00 N ATOM 78 CA TYR A 6 6.163 -9.320 8.321 1.00 0.00 C ATOM 79 C TYR A 6 4.975 -8.366 8.415 1.00 0.00 C ATOM 80 O TYR A 6 5.151 -7.160 8.597 1.00 0.00 O ATOM 81 CB TYR A 6 6.380 -9.758 6.854 1.00 0.00 C ATOM 82 CG TYR A 6 5.818 -8.766 5.842 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.441 -7.542 5.604 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.632 -9.036 5.169 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.897 -6.627 4.722 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.082 -8.125 4.296 1.00 0.00 C ATOM 87 CZ TYR A 6 4.715 -6.923 4.074 1.00 0.00 C ATOM 88 OH TYR A 6 4.154 -6.008 3.215 1.00 0.00 O ATOM 0 H TYR A 6 6.014 -11.376 8.727 1.00 0.00 H new ATOM 0 HA TYR A 6 7.067 -8.810 8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.447 -9.886 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.912 -10.730 6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.362 -7.305 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.132 -9.979 5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.394 -5.686 4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.157 -8.352 3.787 1.00 0.00 H new ATOM 0 HH TYR A 6 4.762 -5.849 2.463 1.00 0.00 H new ATOM 98 N ASN A 7 3.769 -8.929 8.312 1.00 0.00 N ATOM 99 CA ASN A 7 2.547 -8.131 8.337 1.00 0.00 C ATOM 100 C ASN A 7 2.567 -7.196 9.542 1.00 0.00 C ATOM 101 O ASN A 7 2.875 -6.009 9.411 1.00 0.00 O ATOM 102 CB ASN A 7 1.286 -9.024 8.376 1.00 0.00 C ATOM 103 CG ASN A 7 1.006 -9.767 7.071 1.00 0.00 C ATOM 104 OD1 ASN A 7 2.045 -10.115 6.326 1.00 0.00 O flip ATOM 105 ND2 ASN A 7 -0.147 -10.048 6.744 1.00 0.00 N flip ATOM 0 H ASN A 7 3.615 -9.932 8.211 1.00 0.00 H new ATOM 0 HA ASN A 7 2.507 -7.543 7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.395 -9.752 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.423 -8.405 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.928 -9.767 7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.321 -10.561 5.880 1.00 0.00 H new ATOM 112 N ASP A 8 2.312 -7.748 10.721 1.00 0.00 N ATOM 113 CA ASP A 8 2.224 -6.941 11.937 1.00 0.00 C ATOM 114 C ASP A 8 3.544 -6.229 12.222 1.00 0.00 C ATOM 115 O ASP A 8 3.613 -4.995 12.203 1.00 0.00 O ATOM 116 CB ASP A 8 1.839 -7.808 13.143 1.00 0.00 C ATOM 117 CG ASP A 8 0.442 -8.393 13.026 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.526 -7.711 13.419 1.00 0.00 O ATOM 119 OD2 ASP A 8 0.308 -9.538 12.541 1.00 0.00 O ATOM 0 H ASP A 8 2.163 -8.747 10.864 1.00 0.00 H new ATOM 0 HA ASP A 8 1.449 -6.192 11.775 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.560 -8.619 13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.902 -7.208 14.051 1.00 0.00 H new ATOM 124 N ALA A 9 4.597 -7.014 12.442 1.00 0.00 N ATOM 125 CA ALA A 9 5.859 -6.484 12.942 1.00 0.00 C ATOM 126 C ALA A 9 6.483 -5.485 11.971 1.00 0.00 C ATOM 127 O ALA A 9 6.833 -4.372 12.365 1.00 0.00 O ATOM 128 CB ALA A 9 6.833 -7.619 13.247 1.00 0.00 C ATOM 0 H ALA A 9 4.599 -8.021 12.281 1.00 0.00 H new ATOM 0 HA ALA A 9 5.645 -5.947 13.866 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.770 -7.204 13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.401 -8.276 14.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.024 -8.189 12.338 1.00 0.00 H new ATOM 134 N ASP A 10 6.603 -5.868 10.702 1.00 0.00 N ATOM 135 CA ASP A 10 7.331 -5.049 9.736 1.00 0.00 C ATOM 136 C ASP A 10 6.491 -3.873 9.255 1.00 0.00 C ATOM 137 O ASP A 10 6.997 -2.746 9.176 1.00 0.00 O ATOM 138 CB ASP A 10 7.818 -5.891 8.545 1.00 0.00 C ATOM 139 CG ASP A 10 8.950 -6.836 8.923 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.740 -7.722 9.775 1.00 0.00 O ATOM 141 OD2 ASP A 10 10.061 -6.697 8.371 1.00 0.00 O ATOM 0 H ASP A 10 6.211 -6.729 10.322 1.00 0.00 H new ATOM 0 HA ASP A 10 8.206 -4.648 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.984 -6.469 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.154 -5.227 7.748 1.00 0.00 H new ATOM 146 N MET A 11 5.206 -4.107 8.952 1.00 0.00 N ATOM 147 CA MET A 11 4.359 -3.018 8.470 1.00 0.00 C ATOM 148 C MET A 11 4.226 -1.950 9.549 1.00 0.00 C ATOM 149 O MET A 11 4.338 -0.763 9.266 1.00 0.00 O ATOM 150 CB MET A 11 2.975 -3.515 8.029 1.00 0.00 C ATOM 151 CG MET A 11 2.982 -4.410 6.785 1.00 0.00 C ATOM 152 SD MET A 11 3.073 -3.493 5.224 1.00 0.00 S ATOM 153 CE MET A 11 4.802 -3.023 5.143 1.00 0.00 C ATOM 0 H MET A 11 4.745 -5.014 9.030 1.00 0.00 H new ATOM 0 HA MET A 11 4.838 -2.587 7.591 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.522 -4.066 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.339 -2.651 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.830 -5.092 6.845 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.080 -5.022 6.784 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.160 -3.126 4.119 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.913 -1.987 5.463 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.386 -3.670 5.798 1.00 0.00 H new ATOM 163 N ALA A 12 4.027 -2.369 10.796 1.00 0.00 N ATOM 164 CA ALA A 12 3.948 -1.419 11.900 1.00 0.00 C ATOM 165 C ALA A 12 5.288 -0.700 12.080 1.00 0.00 C ATOM 166 O ALA A 12 5.357 0.531 12.039 1.00 0.00 O ATOM 167 CB ALA A 12 3.535 -2.124 13.185 1.00 0.00 C ATOM 0 H ALA A 12 3.919 -3.347 11.065 1.00 0.00 H new ATOM 0 HA ALA A 12 3.188 -0.674 11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.482 -1.399 13.997 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.558 -2.588 13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.269 -2.891 13.431 1.00 0.00 H new ATOM 173 N ARG A 13 6.354 -1.491 12.224 1.00 0.00 N ATOM 174 CA ARG A 13 7.696 -0.971 12.505 1.00 0.00 C ATOM 175 C ARG A 13 8.109 0.112 11.509 1.00 0.00 C ATOM 176 O ARG A 13 8.754 1.096 11.880 1.00 0.00 O ATOM 177 CB ARG A 13 8.716 -2.119 12.467 1.00 0.00 C ATOM 178 CG ARG A 13 10.123 -1.715 12.890 1.00 0.00 C ATOM 179 CD ARG A 13 11.097 -2.889 12.854 1.00 0.00 C ATOM 180 NE ARG A 13 11.407 -3.315 11.487 1.00 0.00 N ATOM 181 CZ ARG A 13 11.035 -4.484 10.955 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.279 -5.335 11.648 1.00 0.00 N ATOM 183 NH2 ARG A 13 11.412 -4.794 9.725 1.00 0.00 N ATOM 0 H ARG A 13 6.312 -2.507 12.149 1.00 0.00 H new ATOM 0 HA ARG A 13 7.674 -0.521 13.498 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.369 -2.921 13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.754 -2.523 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.485 -0.925 12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.093 -1.302 13.898 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.019 -2.608 13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.672 -3.728 13.406 1.00 0.00 H new ATOM 0 HE ARG A 13 11.944 -2.676 10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.979 -5.097 12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.001 -6.224 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.984 -4.142 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.131 -5.684 9.315 1.00 0.00 H new ATOM 197 N LEU A 14 7.748 -0.081 10.245 1.00 0.00 N ATOM 198 CA LEU A 14 8.132 0.847 9.187 1.00 0.00 C ATOM 199 C LEU A 14 7.152 2.022 9.093 1.00 0.00 C ATOM 200 O LEU A 14 7.561 3.187 9.084 1.00 0.00 O ATOM 201 CB LEU A 14 8.209 0.103 7.844 1.00 0.00 C ATOM 202 CG LEU A 14 8.684 0.942 6.643 1.00 0.00 C ATOM 203 CD1 LEU A 14 10.068 1.536 6.903 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.688 0.100 5.369 1.00 0.00 C ATOM 0 H LEU A 14 7.189 -0.873 9.928 1.00 0.00 H new ATOM 0 HA LEU A 14 9.114 1.254 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.881 -0.747 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.222 -0.299 7.615 1.00 0.00 H new ATOM 0 HG LEU A 14 7.985 1.767 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.380 2.124 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.029 2.177 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.784 0.731 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.026 0.710 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.361 -0.748 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.680 -0.263 5.170 1.00 0.00 H new ATOM 216 N LEU A 15 5.860 1.710 9.056 1.00 0.00 N ATOM 217 CA LEU A 15 4.826 2.713 8.800 1.00 0.00 C ATOM 218 C LEU A 15 4.689 3.721 9.945 1.00 0.00 C ATOM 219 O LEU A 15 4.185 4.830 9.729 1.00 0.00 O ATOM 220 CB LEU A 15 3.476 2.034 8.507 1.00 0.00 C ATOM 221 CG LEU A 15 3.280 1.558 7.051 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.274 2.747 6.102 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.356 0.554 6.634 1.00 0.00 C ATOM 0 H LEU A 15 5.501 0.766 9.201 1.00 0.00 H new ATOM 0 HA LEU A 15 5.138 3.276 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.368 1.176 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.676 2.731 8.755 1.00 0.00 H new ATOM 0 HG LEU A 15 2.316 1.052 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.135 2.396 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.460 3.421 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.223 3.278 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.184 0.243 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.338 1.020 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.314 -0.317 7.288 1.00 0.00 H new ATOM 235 N GLU A 16 5.142 3.357 11.148 1.00 0.00 N ATOM 236 CA GLU A 16 5.115 4.294 12.277 1.00 0.00 C ATOM 237 C GLU A 16 5.856 5.588 11.931 1.00 0.00 C ATOM 238 O GLU A 16 5.562 6.650 12.492 1.00 0.00 O ATOM 239 CB GLU A 16 5.705 3.673 13.556 1.00 0.00 C ATOM 240 CG GLU A 16 4.802 2.628 14.205 1.00 0.00 C ATOM 241 CD GLU A 16 5.192 2.318 15.642 1.00 0.00 C ATOM 242 OE1 GLU A 16 5.085 3.226 16.497 1.00 0.00 O ATOM 243 OE2 GLU A 16 5.594 1.168 15.932 1.00 0.00 O ATOM 0 H GLU A 16 5.526 2.437 11.365 1.00 0.00 H new ATOM 0 HA GLU A 16 4.068 4.526 12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.664 3.213 13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.903 4.467 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.771 2.981 14.182 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.837 1.710 13.618 1.00 0.00 H new ATOM 250 N GLN A 17 6.806 5.504 10.998 1.00 0.00 N ATOM 251 CA GLN A 17 7.527 6.688 10.538 1.00 0.00 C ATOM 252 C GLN A 17 6.566 7.667 9.868 1.00 0.00 C ATOM 253 O GLN A 17 6.545 8.850 10.203 1.00 0.00 O ATOM 254 CB GLN A 17 8.654 6.320 9.562 1.00 0.00 C ATOM 255 CG GLN A 17 9.304 7.540 8.913 1.00 0.00 C ATOM 256 CD GLN A 17 10.459 7.196 7.992 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.196 6.235 8.219 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.624 7.984 6.942 1.00 0.00 N ATOM 0 H GLN A 17 7.091 4.633 10.550 1.00 0.00 H new ATOM 0 HA GLN A 17 7.975 7.159 11.413 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.415 5.749 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.255 5.670 8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.549 8.085 8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.661 8.210 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.992 8.770 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.383 7.806 6.285 1.00 0.00 H new ATOM 267 N TRP A 18 5.761 7.157 8.942 1.00 0.00 N ATOM 268 CA TRP A 18 4.830 7.989 8.183 1.00 0.00 C ATOM 269 C TRP A 18 3.774 8.605 9.094 1.00 0.00 C ATOM 270 O TRP A 18 3.331 9.742 8.872 1.00 0.00 O ATOM 271 CB TRP A 18 4.184 7.177 7.054 1.00 0.00 C ATOM 272 CG TRP A 18 5.106 6.976 5.888 1.00 0.00 C ATOM 273 CD1 TRP A 18 6.066 6.015 5.747 1.00 0.00 C ATOM 274 CD2 TRP A 18 5.163 7.781 4.705 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.714 6.172 4.544 1.00 0.00 N ATOM 276 CE2 TRP A 18 6.178 7.249 3.888 1.00 0.00 C ATOM 277 CE3 TRP A 18 4.455 8.900 4.256 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.497 7.795 2.651 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.773 9.441 3.025 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.787 8.889 2.236 1.00 0.00 C ATOM 0 H TRP A 18 5.734 6.167 8.697 1.00 0.00 H new ATOM 0 HA TRP A 18 5.392 8.808 7.734 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.876 6.206 7.441 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.282 7.686 6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.284 5.246 6.473 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.471 5.583 4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.673 9.334 4.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.278 7.371 2.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.230 10.303 2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.015 9.335 1.279 1.00 0.00 H new ATOM 291 N GLU A 19 3.363 7.854 10.113 1.00 0.00 N ATOM 292 CA GLU A 19 2.493 8.396 11.146 1.00 0.00 C ATOM 293 C GLU A 19 3.177 9.597 11.787 1.00 0.00 C ATOM 294 O GLU A 19 2.627 10.696 11.841 1.00 0.00 O ATOM 295 CB GLU A 19 2.178 7.345 12.216 1.00 0.00 C ATOM 296 CG GLU A 19 1.358 6.164 11.718 1.00 0.00 C ATOM 297 CD GLU A 19 0.931 5.248 12.854 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.107 5.534 13.495 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.639 4.259 13.131 1.00 0.00 O ATOM 0 H GLU A 19 3.618 6.875 10.243 1.00 0.00 H new ATOM 0 HA GLU A 19 1.551 8.698 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.116 6.972 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.640 7.826 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.474 6.531 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.943 5.596 10.994 1.00 0.00 H new ATOM 306 N LYS A 20 4.408 9.372 12.238 1.00 0.00 N ATOM 307 CA LYS A 20 5.230 10.421 12.821 1.00 0.00 C ATOM 308 C LYS A 20 5.298 11.633 11.896 1.00 0.00 C ATOM 309 O LYS A 20 5.178 12.770 12.346 1.00 0.00 O ATOM 310 CB LYS A 20 6.644 9.881 13.088 1.00 0.00 C ATOM 311 CG LYS A 20 7.678 10.956 13.415 1.00 0.00 C ATOM 312 CD LYS A 20 9.083 10.377 13.544 1.00 0.00 C ATOM 313 CE LYS A 20 9.525 9.645 12.276 1.00 0.00 C ATOM 314 NZ LYS A 20 9.564 10.536 11.078 1.00 0.00 N ATOM 0 H LYS A 20 4.860 8.458 12.208 1.00 0.00 H new ATOM 0 HA LYS A 20 4.779 10.735 13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.599 9.173 13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.979 9.326 12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.670 11.717 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.403 11.452 14.346 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.787 11.181 13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.114 9.689 14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.514 9.215 12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.844 8.816 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.261 10.172 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.625 10.559 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.833 11.497 11.369 1.00 0.00 H new ATOM 328 N ASP A 21 5.471 11.376 10.604 1.00 0.00 N ATOM 329 CA ASP A 21 5.649 12.443 9.622 1.00 0.00 C ATOM 330 C ASP A 21 4.424 13.349 9.551 1.00 0.00 C ATOM 331 O ASP A 21 4.542 14.573 9.689 1.00 0.00 O ATOM 332 CB ASP A 21 5.968 11.866 8.231 1.00 0.00 C ATOM 333 CG ASP A 21 7.277 11.081 8.206 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.211 11.438 8.968 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.373 10.099 7.439 1.00 0.00 O ATOM 0 H ASP A 21 5.492 10.435 10.210 1.00 0.00 H new ATOM 0 HA ASP A 21 6.496 13.046 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.152 11.215 7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.023 12.680 7.508 1.00 0.00 H new ATOM 340 N ASP A 22 3.240 12.758 9.358 1.00 0.00 N ATOM 341 CA ASP A 22 2.023 13.565 9.224 1.00 0.00 C ATOM 342 C ASP A 22 1.664 14.217 10.564 1.00 0.00 C ATOM 343 O ASP A 22 1.074 15.298 10.590 1.00 0.00 O ATOM 344 CB ASP A 22 0.841 12.750 8.664 1.00 0.00 C ATOM 345 CG ASP A 22 0.145 11.865 9.692 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.575 10.711 9.875 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.866 12.304 10.279 1.00 0.00 O ATOM 0 H ASP A 22 3.099 11.750 9.292 1.00 0.00 H new ATOM 0 HA ASP A 22 2.229 14.352 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.110 13.438 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.201 12.124 7.848 1.00 0.00 H new ATOM 352 N ASP A 23 2.051 13.569 11.671 1.00 0.00 N ATOM 353 CA ASP A 23 1.875 14.150 13.010 1.00 0.00 C ATOM 354 C ASP A 23 2.736 15.405 13.164 1.00 0.00 C ATOM 355 O ASP A 23 2.274 16.439 13.656 1.00 0.00 O ATOM 356 CB ASP A 23 2.245 13.146 14.120 1.00 0.00 C ATOM 357 CG ASP A 23 1.194 12.070 14.361 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.004 12.418 14.525 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.556 10.870 14.416 1.00 0.00 O ATOM 0 H ASP A 23 2.486 12.646 11.667 1.00 0.00 H new ATOM 0 HA ASP A 23 0.821 14.408 13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.188 12.666 13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.410 13.692 15.049 1.00 0.00 H new ATOM 364 N ILE A 24 3.994 15.306 12.736 1.00 0.00 N ATOM 365 CA ILE A 24 4.927 16.429 12.812 1.00 0.00 C ATOM 366 C ILE A 24 4.409 17.605 11.991 1.00 0.00 C ATOM 367 O ILE A 24 4.447 18.755 12.440 1.00 0.00 O ATOM 368 CB ILE A 24 6.348 16.032 12.326 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.976 15.003 13.282 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.246 17.263 12.195 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.354 14.533 12.862 1.00 0.00 C ATOM 0 H ILE A 24 4.391 14.458 12.332 1.00 0.00 H new ATOM 0 HA ILE A 24 5.000 16.722 13.859 1.00 0.00 H new ATOM 0 HB ILE A 24 6.254 15.577 11.340 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.040 15.440 14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.315 14.139 13.355 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.235 16.957 11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.811 17.956 11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.333 17.755 13.164 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.728 13.810 13.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.295 14.065 11.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.031 15.386 12.817 1.00 0.00 H new ATOM 383 N GLU A 25 3.917 17.309 10.791 1.00 0.00 N ATOM 384 CA GLU A 25 3.338 18.332 9.926 1.00 0.00 C ATOM 385 C GLU A 25 2.057 18.897 10.547 1.00 0.00 C ATOM 386 O GLU A 25 1.772 20.092 10.430 1.00 0.00 O ATOM 387 CB GLU A 25 3.054 17.753 8.537 1.00 0.00 C ATOM 388 CG GLU A 25 4.303 17.254 7.816 1.00 0.00 C ATOM 389 CD GLU A 25 5.342 18.347 7.610 1.00 0.00 C ATOM 390 OE1 GLU A 25 5.149 19.197 6.715 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.362 18.359 8.334 1.00 0.00 O ATOM 0 H GLU A 25 3.908 16.369 10.396 1.00 0.00 H new ATOM 0 HA GLU A 25 4.055 19.146 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.347 16.929 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.572 18.516 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.747 16.440 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.018 16.843 6.848 1.00 0.00 H new ATOM 398 N GLU A 26 1.297 18.026 11.208 1.00 0.00 N ATOM 399 CA GLU A 26 0.098 18.431 11.941 1.00 0.00 C ATOM 400 C GLU A 26 0.485 19.365 13.091 1.00 0.00 C ATOM 401 O GLU A 26 -0.300 20.214 13.522 1.00 0.00 O ATOM 402 CB GLU A 26 -0.634 17.184 12.468 1.00 0.00 C ATOM 403 CG GLU A 26 -1.931 17.475 13.218 1.00 0.00 C ATOM 404 CD GLU A 26 -2.955 18.217 12.375 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.333 17.708 11.302 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.384 19.319 12.780 1.00 0.00 O ATOM 0 H GLU A 26 1.493 17.026 11.251 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.575 18.969 11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.856 16.527 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.038 16.638 13.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.364 16.535 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.705 18.065 14.107 1.00 0.00 H new ATOM 413 N GLY A 27 1.720 19.210 13.555 1.00 0.00 N ATOM 414 CA GLY A 27 2.262 20.067 14.595 1.00 0.00 C ATOM 415 C GLY A 27 2.086 19.481 15.979 1.00 0.00 C ATOM 416 O GLY A 27 1.763 20.191 16.933 1.00 0.00 O ATOM 0 H GLY A 27 2.366 18.493 13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.323 20.235 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.773 21.040 14.551 1.00 0.00 H new ATOM 420 N ASP A 28 2.302 18.175 16.081 1.00 0.00 N ATOM 421 CA ASP A 28 2.321 17.480 17.366 1.00 0.00 C ATOM 422 C ASP A 28 3.317 16.328 17.312 1.00 0.00 C ATOM 423 O ASP A 28 3.099 15.350 16.599 1.00 0.00 O ATOM 424 CB ASP A 28 0.922 16.954 17.729 1.00 0.00 C ATOM 425 CG ASP A 28 0.931 16.087 18.986 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.092 16.637 20.098 1.00 0.00 O ATOM 427 OD2 ASP A 28 0.778 14.853 18.868 1.00 0.00 O ATOM 0 H ASP A 28 2.469 17.568 15.279 1.00 0.00 H new ATOM 0 HA ASP A 28 2.627 18.187 18.137 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.248 17.797 17.878 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.528 16.374 16.894 1.00 0.00 H new ATOM 432 N LEU A 29 4.423 16.466 18.040 1.00 0.00 N ATOM 433 CA LEU A 29 5.441 15.422 18.100 1.00 0.00 C ATOM 434 C LEU A 29 4.872 14.179 18.790 1.00 0.00 C ATOM 435 O LEU A 29 4.594 14.202 19.994 1.00 0.00 O ATOM 436 CB LEU A 29 6.702 15.922 18.836 1.00 0.00 C ATOM 437 CG LEU A 29 7.613 16.883 18.040 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.137 16.209 16.774 1.00 0.00 C ATOM 439 CD2 LEU A 29 6.888 18.185 17.698 1.00 0.00 C ATOM 0 H LEU A 29 4.636 17.293 18.598 1.00 0.00 H new ATOM 0 HA LEU A 29 5.730 15.161 17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.389 16.424 19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.293 15.056 19.133 1.00 0.00 H new ATOM 0 HG LEU A 29 8.463 17.133 18.674 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.776 16.904 16.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.712 15.323 17.045 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.297 15.918 16.143 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.558 18.838 17.138 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.008 17.964 17.094 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.581 18.683 18.618 1.00 0.00 H new ATOM 451 N LEU A 62 -4.906 7.733 5.182 1.00 0.00 N ATOM 452 CA LEU A 62 -4.809 6.288 5.338 1.00 0.00 C ATOM 453 C LEU A 62 -3.734 5.648 4.455 1.00 0.00 C ATOM 454 O LEU A 62 -3.199 6.255 3.511 1.00 0.00 O ATOM 455 CB LEU A 62 -6.189 5.635 5.093 1.00 0.00 C ATOM 456 CG LEU A 62 -6.951 6.093 3.829 1.00 0.00 C ATOM 457 CD1 LEU A 62 -6.320 5.541 2.554 1.00 0.00 C ATOM 458 CD2 LEU A 62 -8.422 5.694 3.920 1.00 0.00 C ATOM 0 HA LEU A 62 -4.495 6.103 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.051 4.555 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.818 5.831 5.961 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.884 7.180 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.886 5.887 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.290 5.890 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.332 4.451 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.945 6.024 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.500 4.610 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.873 6.163 4.795 1.00 0.00 H new ATOM 470 N MET A 63 -3.434 4.405 4.798 1.00 0.00 N ATOM 471 CA MET A 63 -2.537 3.552 4.043 1.00 0.00 C ATOM 472 C MET A 63 -3.276 2.258 3.723 1.00 0.00 C ATOM 473 O MET A 63 -3.924 1.676 4.597 1.00 0.00 O ATOM 474 CB MET A 63 -1.263 3.269 4.856 1.00 0.00 C ATOM 475 CG MET A 63 -1.516 2.550 6.176 1.00 0.00 C ATOM 476 SD MET A 63 -0.042 2.442 7.209 1.00 0.00 S ATOM 477 CE MET A 63 0.225 4.166 7.618 1.00 0.00 C ATOM 0 H MET A 63 -3.817 3.953 5.628 1.00 0.00 H new ATOM 0 HA MET A 63 -2.234 4.042 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.584 2.668 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.757 4.213 5.059 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.300 3.072 6.724 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.885 1.545 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.910 4.238 8.463 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.653 4.682 6.759 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.726 4.629 7.882 1.00 0.00 H new ATOM 487 N MET A 64 -3.212 1.825 2.475 1.00 0.00 N ATOM 488 CA MET A 64 -3.977 0.669 2.030 1.00 0.00 C ATOM 489 C MET A 64 -3.059 -0.521 1.789 1.00 0.00 C ATOM 490 O MET A 64 -2.173 -0.475 0.932 1.00 0.00 O ATOM 491 CB MET A 64 -4.755 1.016 0.750 1.00 0.00 C ATOM 492 CG MET A 64 -5.655 2.238 0.901 1.00 0.00 C ATOM 493 SD MET A 64 -6.502 2.698 -0.628 1.00 0.00 S ATOM 494 CE MET A 64 -7.663 1.347 -0.813 1.00 0.00 C ATOM 0 H MET A 64 -2.638 2.256 1.750 1.00 0.00 H new ATOM 0 HA MET A 64 -4.687 0.398 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.047 1.193 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.363 0.159 0.460 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.398 2.040 1.674 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.056 3.081 1.244 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.557 0.909 -1.806 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.461 0.587 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.679 1.721 -0.688 1.00 0.00 H new ATOM 504 N PHE A 65 -3.268 -1.575 2.567 1.00 0.00 N ATOM 505 CA PHE A 65 -2.558 -2.832 2.380 1.00 0.00 C ATOM 506 C PHE A 65 -3.350 -3.693 1.409 1.00 0.00 C ATOM 507 O PHE A 65 -4.546 -3.933 1.621 1.00 0.00 O ATOM 508 CB PHE A 65 -2.397 -3.569 3.718 1.00 0.00 C ATOM 509 CG PHE A 65 -1.737 -2.747 4.799 1.00 0.00 C ATOM 510 CD1 PHE A 65 -2.485 -1.878 5.584 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.374 -2.841 5.030 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.886 -1.125 6.573 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.229 -2.089 6.021 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.526 -1.230 6.792 1.00 0.00 C ATOM 0 H PHE A 65 -3.931 -1.582 3.342 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.563 -2.631 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.380 -3.886 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.810 -4.473 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.549 -1.791 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.224 -3.510 4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.480 -0.454 7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.292 -2.174 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.055 -0.641 7.565 1.00 0.00 H new ATOM 524 N VAL A 66 -2.703 -4.144 0.342 1.00 0.00 N ATOM 525 CA VAL A 66 -3.383 -4.903 -0.695 1.00 0.00 C ATOM 526 C VAL A 66 -2.828 -6.320 -0.763 1.00 0.00 C ATOM 527 O VAL A 66 -1.779 -6.552 -1.374 1.00 0.00 O ATOM 528 CB VAL A 66 -3.212 -4.224 -2.078 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.074 -4.911 -3.135 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.526 -2.732 -1.990 1.00 0.00 C ATOM 0 H VAL A 66 -1.708 -3.996 0.174 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.443 -4.937 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.171 -4.329 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.935 -4.415 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.780 -5.957 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.123 -4.852 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.400 -2.275 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.555 -2.596 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.848 -2.259 -1.280 1.00 0.00 H new ATOM 540 N THR A 67 -3.525 -7.260 -0.132 1.00 0.00 N ATOM 541 CA THR A 67 -3.134 -8.661 -0.179 1.00 0.00 C ATOM 542 C THR A 67 -3.482 -9.225 -1.554 1.00 0.00 C ATOM 543 O THR A 67 -4.623 -9.626 -1.807 1.00 0.00 O ATOM 544 CB THR A 67 -3.836 -9.482 0.929 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.819 -8.750 2.164 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.153 -10.831 1.131 1.00 0.00 C ATOM 0 H THR A 67 -4.364 -7.075 0.418 1.00 0.00 H new ATOM 0 HA THR A 67 -2.060 -8.732 -0.007 1.00 0.00 H new ATOM 0 HB THR A 67 -4.866 -9.658 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.606 -8.990 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.668 -11.386 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.188 -11.399 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.114 -10.673 1.420 1.00 0.00 H new ATOM 554 N VAL A 68 -2.504 -9.219 -2.453 1.00 0.00 N ATOM 555 CA VAL A 68 -2.756 -9.517 -3.859 1.00 0.00 C ATOM 556 C VAL A 68 -2.336 -10.936 -4.229 1.00 0.00 C ATOM 557 O VAL A 68 -3.091 -11.665 -4.872 1.00 0.00 O ATOM 558 CB VAL A 68 -2.045 -8.494 -4.790 1.00 0.00 C ATOM 559 CG1 VAL A 68 -0.542 -8.425 -4.506 1.00 0.00 C ATOM 560 CG2 VAL A 68 -2.310 -8.822 -6.261 1.00 0.00 C ATOM 0 H VAL A 68 -1.530 -9.011 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.833 -9.436 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.463 -7.510 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.078 -7.700 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.381 -8.120 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.096 -9.406 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.803 -8.093 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.934 -9.820 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.382 -8.786 -6.454 1.00 0.00 H new ATOM 570 N SER A 69 -1.140 -11.329 -3.818 1.00 0.00 N ATOM 571 CA SER A 69 -0.564 -12.596 -4.244 1.00 0.00 C ATOM 572 C SER A 69 -0.911 -13.722 -3.278 1.00 0.00 C ATOM 573 O SER A 69 -1.366 -14.792 -3.690 1.00 0.00 O ATOM 574 CB SER A 69 0.957 -12.456 -4.354 1.00 0.00 C ATOM 575 OG SER A 69 1.308 -11.291 -5.081 1.00 0.00 O ATOM 0 H SER A 69 -0.548 -10.787 -3.188 1.00 0.00 H new ATOM 0 HA SER A 69 -0.985 -12.850 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.395 -12.413 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.372 -13.335 -4.846 1.00 0.00 H new ATOM 0 HG SER A 69 1.940 -10.756 -4.557 1.00 0.00 H new ATOM 581 N GLY A 70 -0.699 -13.472 -1.991 1.00 0.00 N ATOM 582 CA GLY A 70 -0.799 -14.530 -0.996 1.00 0.00 C ATOM 583 C GLY A 70 0.304 -15.564 -1.172 1.00 0.00 C ATOM 584 O GLY A 70 0.271 -16.637 -0.567 1.00 0.00 O ATOM 0 H GLY A 70 -0.459 -12.554 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.739 -14.099 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.771 -15.016 -1.076 1.00 0.00 H new ATOM 588 N ASN A 71 1.278 -15.228 -2.018 1.00 0.00 N ATOM 589 CA ASN A 71 2.387 -16.118 -2.357 1.00 0.00 C ATOM 590 C ASN A 71 3.717 -15.390 -2.131 1.00 0.00 C ATOM 591 O ASN A 71 3.914 -14.293 -2.654 1.00 0.00 O ATOM 592 CB ASN A 71 2.250 -16.571 -3.824 1.00 0.00 C ATOM 593 CG ASN A 71 3.401 -17.442 -4.305 1.00 0.00 C ATOM 594 OD1 ASN A 71 4.066 -18.111 -3.517 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.628 -17.465 -5.608 1.00 0.00 N ATOM 0 H ASN A 71 1.319 -14.325 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 71 2.365 -17.000 -1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.316 -17.122 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.181 -15.690 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.373 -18.050 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.058 -16.898 -6.235 1.00 0.00 H new ATOM 602 N PRO A 72 4.638 -15.975 -1.332 1.00 0.00 N ATOM 603 CA PRO A 72 5.935 -15.354 -1.002 1.00 0.00 C ATOM 604 C PRO A 72 6.830 -15.116 -2.228 1.00 0.00 C ATOM 605 O PRO A 72 7.778 -14.329 -2.164 1.00 0.00 O ATOM 606 CB PRO A 72 6.589 -16.350 -0.023 1.00 0.00 C ATOM 607 CG PRO A 72 5.468 -17.211 0.464 1.00 0.00 C ATOM 608 CD PRO A 72 4.482 -17.285 -0.668 1.00 0.00 C ATOM 0 HA PRO A 72 5.796 -14.359 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.356 -16.945 -0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.074 -15.830 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.827 -18.204 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.008 -16.785 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.706 -18.110 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.464 -17.436 -0.307 1.00 0.00 H new ATOM 616 N THR A 73 6.538 -15.802 -3.333 1.00 0.00 N ATOM 617 CA THR A 73 7.271 -15.634 -4.580 1.00 0.00 C ATOM 618 C THR A 73 7.271 -14.161 -5.028 1.00 0.00 C ATOM 619 O THR A 73 6.261 -13.653 -5.519 1.00 0.00 O ATOM 620 CB THR A 73 6.639 -16.523 -5.676 1.00 0.00 C ATOM 621 OG1 THR A 73 6.570 -17.879 -5.210 1.00 0.00 O ATOM 622 CG2 THR A 73 7.431 -16.478 -6.973 1.00 0.00 C ATOM 0 H THR A 73 5.786 -16.489 -3.385 1.00 0.00 H new ATOM 0 HA THR A 73 8.306 -15.936 -4.417 1.00 0.00 H new ATOM 0 HB THR A 73 5.640 -16.138 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.335 -18.470 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.951 -17.117 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.464 -15.453 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.446 -16.832 -6.792 1.00 0.00 H new ATOM 630 N GLU A 74 8.412 -13.484 -4.835 1.00 0.00 N ATOM 631 CA GLU A 74 8.562 -12.057 -5.167 1.00 0.00 C ATOM 632 C GLU A 74 8.089 -11.735 -6.582 1.00 0.00 C ATOM 633 O GLU A 74 7.689 -10.607 -6.867 1.00 0.00 O ATOM 634 CB GLU A 74 10.027 -11.616 -5.016 1.00 0.00 C ATOM 635 CG GLU A 74 10.573 -11.713 -3.596 1.00 0.00 C ATOM 636 CD GLU A 74 11.980 -11.143 -3.483 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.119 -9.910 -3.336 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.956 -11.921 -3.567 1.00 0.00 O ATOM 0 H GLU A 74 9.255 -13.907 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 74 7.933 -11.509 -4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.647 -12.227 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.120 -10.585 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.910 -11.178 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.579 -12.756 -3.281 1.00 0.00 H new ATOM 645 N LYS A 75 8.131 -12.731 -7.455 1.00 0.00 N ATOM 646 CA LYS A 75 7.768 -12.554 -8.860 1.00 0.00 C ATOM 647 C LYS A 75 6.333 -12.047 -8.990 1.00 0.00 C ATOM 648 O LYS A 75 6.033 -11.209 -9.843 1.00 0.00 O ATOM 649 CB LYS A 75 7.939 -13.872 -9.633 1.00 0.00 C ATOM 650 CG LYS A 75 9.388 -14.348 -9.759 1.00 0.00 C ATOM 651 CD LYS A 75 9.993 -14.765 -8.415 1.00 0.00 C ATOM 652 CE LYS A 75 11.461 -15.149 -8.552 1.00 0.00 C ATOM 653 NZ LYS A 75 11.660 -16.285 -9.495 1.00 0.00 N ATOM 0 H LYS A 75 8.415 -13.681 -7.215 1.00 0.00 H new ATOM 0 HA LYS A 75 8.437 -11.809 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.356 -14.648 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.521 -13.750 -10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.430 -15.191 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.992 -13.551 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.896 -13.946 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.433 -15.608 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.029 -14.286 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.857 -15.418 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.642 -16.622 -9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.011 -17.059 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.466 -15.968 -10.466 1.00 0.00 H new ATOM 667 N GLU A 76 5.463 -12.549 -8.118 1.00 0.00 N ATOM 668 CA GLU A 76 4.055 -12.165 -8.106 1.00 0.00 C ATOM 669 C GLU A 76 3.910 -10.654 -7.922 1.00 0.00 C ATOM 670 O GLU A 76 3.456 -9.944 -8.829 1.00 0.00 O ATOM 671 CB GLU A 76 3.335 -12.904 -6.970 1.00 0.00 C ATOM 672 CG GLU A 76 3.415 -14.428 -7.070 1.00 0.00 C ATOM 673 CD GLU A 76 2.326 -15.048 -7.937 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.855 -14.397 -8.899 1.00 0.00 O ATOM 675 OE2 GLU A 76 1.917 -16.190 -7.642 1.00 0.00 O ATOM 0 H GLU A 76 5.713 -13.231 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 76 3.606 -12.438 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.762 -12.590 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.287 -12.605 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.389 -14.705 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.353 -14.852 -6.068 1.00 0.00 H new ATOM 682 N THR A 77 4.338 -10.170 -6.753 1.00 0.00 N ATOM 683 CA THR A 77 4.219 -8.756 -6.411 1.00 0.00 C ATOM 684 C THR A 77 5.029 -7.897 -7.381 1.00 0.00 C ATOM 685 O THR A 77 4.612 -6.802 -7.747 1.00 0.00 O ATOM 686 CB THR A 77 4.670 -8.476 -4.953 1.00 0.00 C ATOM 687 OG1 THR A 77 4.415 -7.108 -4.610 1.00 0.00 O ATOM 688 CG2 THR A 77 6.153 -8.782 -4.754 1.00 0.00 C ATOM 0 H THR A 77 4.771 -10.741 -6.027 1.00 0.00 H new ATOM 0 HA THR A 77 3.165 -8.492 -6.493 1.00 0.00 H new ATOM 0 HB THR A 77 4.095 -9.133 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.551 -6.981 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.432 -8.574 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.341 -9.833 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.746 -8.158 -5.423 1.00 0.00 H new ATOM 696 N GLU A 78 6.177 -8.412 -7.806 1.00 0.00 N ATOM 697 CA GLU A 78 7.036 -7.724 -8.761 1.00 0.00 C ATOM 698 C GLU A 78 6.256 -7.335 -10.014 1.00 0.00 C ATOM 699 O GLU A 78 6.131 -6.152 -10.343 1.00 0.00 O ATOM 700 CB GLU A 78 8.213 -8.633 -9.133 1.00 0.00 C ATOM 701 CG GLU A 78 9.140 -8.065 -10.200 1.00 0.00 C ATOM 702 CD GLU A 78 10.260 -9.024 -10.566 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.042 -9.906 -11.425 1.00 0.00 O ATOM 704 OE2 GLU A 78 11.367 -8.906 -9.997 1.00 0.00 O ATOM 0 H GLU A 78 6.537 -9.316 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 78 7.411 -6.810 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.796 -8.836 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.821 -9.588 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.561 -7.830 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.569 -7.129 -9.843 1.00 0.00 H new ATOM 711 N GLU A 79 5.706 -8.338 -10.687 1.00 0.00 N ATOM 712 CA GLU A 79 5.025 -8.126 -11.957 1.00 0.00 C ATOM 713 C GLU A 79 3.735 -7.325 -11.771 1.00 0.00 C ATOM 714 O GLU A 79 3.480 -6.372 -12.512 1.00 0.00 O ATOM 715 CB GLU A 79 4.738 -9.473 -12.632 1.00 0.00 C ATOM 716 CG GLU A 79 5.992 -10.309 -12.870 1.00 0.00 C ATOM 717 CD GLU A 79 5.706 -11.614 -13.593 1.00 0.00 C ATOM 718 OE1 GLU A 79 5.240 -12.573 -12.942 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.953 -11.687 -14.818 1.00 0.00 O ATOM 0 H GLU A 79 5.719 -9.308 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 79 5.682 -7.543 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.043 -10.041 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.242 -9.295 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.706 -9.726 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.464 -10.527 -11.912 1.00 0.00 H new ATOM 726 N ILE A 80 2.932 -7.691 -10.769 1.00 0.00 N ATOM 727 CA ILE A 80 1.637 -7.040 -10.572 1.00 0.00 C ATOM 728 C ILE A 80 1.812 -5.570 -10.160 1.00 0.00 C ATOM 729 O ILE A 80 1.109 -4.694 -10.664 1.00 0.00 O ATOM 730 CB ILE A 80 0.750 -7.790 -9.538 1.00 0.00 C ATOM 731 CG1 ILE A 80 -0.686 -7.241 -9.556 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.337 -7.697 -8.131 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.394 -7.409 -10.887 1.00 0.00 C ATOM 0 H ILE A 80 3.151 -8.422 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 80 1.121 -7.075 -11.532 1.00 0.00 H new ATOM 0 HB ILE A 80 0.726 -8.842 -9.824 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.266 -7.743 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.662 -6.182 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.693 -8.231 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.332 -8.143 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.405 -6.651 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.401 -6.997 -10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.839 -6.883 -11.663 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.452 -8.468 -11.137 1.00 0.00 H new ATOM 745 N THR A 81 2.767 -5.306 -9.268 1.00 0.00 N ATOM 746 CA THR A 81 3.047 -3.942 -8.822 1.00 0.00 C ATOM 747 C THR A 81 3.684 -3.131 -9.951 1.00 0.00 C ATOM 748 O THR A 81 3.456 -1.924 -10.064 1.00 0.00 O ATOM 749 CB THR A 81 3.962 -3.928 -7.574 1.00 0.00 C ATOM 750 OG1 THR A 81 3.359 -4.698 -6.523 1.00 0.00 O ATOM 751 CG2 THR A 81 4.215 -2.505 -7.077 1.00 0.00 C ATOM 0 H THR A 81 3.359 -6.018 -8.841 1.00 0.00 H new ATOM 0 HA THR A 81 2.097 -3.484 -8.546 1.00 0.00 H new ATOM 0 HB THR A 81 4.920 -4.365 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.604 -5.641 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.861 -2.535 -6.200 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.698 -1.925 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.266 -2.038 -6.813 1.00 0.00 H new ATOM 759 N SER A 82 4.476 -3.799 -10.792 1.00 0.00 N ATOM 760 CA SER A 82 5.058 -3.159 -11.968 1.00 0.00 C ATOM 761 C SER A 82 3.943 -2.632 -12.874 1.00 0.00 C ATOM 762 O SER A 82 3.968 -1.474 -13.312 1.00 0.00 O ATOM 763 CB SER A 82 5.953 -4.150 -12.729 1.00 0.00 C ATOM 764 OG SER A 82 6.596 -3.533 -13.834 1.00 0.00 O ATOM 0 H SER A 82 4.727 -4.781 -10.679 1.00 0.00 H new ATOM 0 HA SER A 82 5.677 -2.320 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.704 -4.557 -12.052 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.352 -4.989 -13.079 1.00 0.00 H new ATOM 0 HG SER A 82 7.158 -4.191 -14.294 1.00 0.00 H new ATOM 770 N LEU A 83 2.947 -3.485 -13.126 1.00 0.00 N ATOM 771 CA LEU A 83 1.775 -3.093 -13.904 1.00 0.00 C ATOM 772 C LEU A 83 1.058 -1.930 -13.221 1.00 0.00 C ATOM 773 O LEU A 83 0.741 -0.921 -13.854 1.00 0.00 O ATOM 774 CB LEU A 83 0.815 -4.282 -14.067 1.00 0.00 C ATOM 775 CG LEU A 83 1.389 -5.495 -14.819 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.383 -6.644 -14.842 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.797 -5.110 -16.241 1.00 0.00 C ATOM 0 H LEU A 83 2.931 -4.452 -12.801 1.00 0.00 H new ATOM 0 HA LEU A 83 2.105 -2.775 -14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.495 -4.608 -13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.076 -3.938 -14.593 1.00 0.00 H new ATOM 0 HG LEU A 83 2.280 -5.830 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.810 -7.491 -15.379 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.149 -6.943 -13.820 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.529 -6.319 -15.343 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.200 -5.984 -16.753 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.926 -4.742 -16.782 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.557 -4.329 -16.203 1.00 0.00 H new ATOM 789 N TRP A 84 0.832 -2.075 -11.916 1.00 0.00 N ATOM 790 CA TRP A 84 0.161 -1.048 -11.125 1.00 0.00 C ATOM 791 C TRP A 84 0.919 0.275 -11.189 1.00 0.00 C ATOM 792 O TRP A 84 0.316 1.347 -11.157 1.00 0.00 O ATOM 793 CB TRP A 84 -0.002 -1.502 -9.666 1.00 0.00 C ATOM 794 CG TRP A 84 -1.043 -2.569 -9.485 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.980 -2.961 -10.395 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.261 -3.367 -8.316 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.771 -3.948 -9.863 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.346 -4.218 -8.589 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.640 -3.447 -7.069 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.828 -5.131 -7.656 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.118 -4.355 -6.143 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.202 -5.188 -6.442 1.00 0.00 C ATOM 0 H TRP A 84 1.106 -2.900 -11.383 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.830 -0.894 -11.551 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.955 -1.873 -9.300 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.265 -0.640 -9.053 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.084 -2.554 -11.390 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.549 -4.406 -10.339 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.200 -2.810 -6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.667 -5.772 -7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.647 -4.423 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.551 -5.890 -5.699 1.00 0.00 H new ATOM 813 N GLN A 85 2.237 0.199 -11.295 1.00 0.00 N ATOM 814 CA GLN A 85 3.058 1.389 -11.440 1.00 0.00 C ATOM 815 C GLN A 85 2.758 2.056 -12.780 1.00 0.00 C ATOM 816 O GLN A 85 2.264 3.187 -12.827 1.00 0.00 O ATOM 817 CB GLN A 85 4.547 1.025 -11.332 1.00 0.00 C ATOM 818 CG GLN A 85 5.495 2.215 -11.452 1.00 0.00 C ATOM 819 CD GLN A 85 6.954 1.807 -11.344 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.531 1.785 -10.253 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.557 1.478 -12.475 1.00 0.00 N ATOM 0 H GLN A 85 2.761 -0.676 -11.283 1.00 0.00 H new ATOM 0 HA GLN A 85 2.823 2.090 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.720 0.533 -10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.790 0.302 -12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.330 2.713 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.265 2.940 -10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.043 1.510 -13.355 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.536 1.192 -12.467 1.00 0.00 H new ATOM 830 N GLY A 86 3.041 1.334 -13.863 1.00 0.00 N ATOM 831 CA GLY A 86 2.783 1.833 -15.207 1.00 0.00 C ATOM 832 C GLY A 86 1.329 2.208 -15.464 1.00 0.00 C ATOM 833 O GLY A 86 1.042 2.924 -16.424 1.00 0.00 O ATOM 0 H GLY A 86 3.450 0.400 -13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.409 2.707 -15.385 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.084 1.074 -15.929 1.00 0.00 H new ATOM 837 N SER A 87 0.411 1.719 -14.631 1.00 0.00 N ATOM 838 CA SER A 87 -1.011 2.032 -14.789 1.00 0.00 C ATOM 839 C SER A 87 -1.434 3.207 -13.893 1.00 0.00 C ATOM 840 O SER A 87 -1.789 4.279 -14.387 1.00 0.00 O ATOM 841 CB SER A 87 -1.856 0.791 -14.477 1.00 0.00 C ATOM 842 OG SER A 87 -1.479 -0.301 -15.300 1.00 0.00 O ATOM 0 H SER A 87 0.624 1.107 -13.843 1.00 0.00 H new ATOM 0 HA SER A 87 -1.178 2.331 -15.824 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.736 0.519 -13.428 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.911 1.018 -14.628 1.00 0.00 H new ATOM 0 HG SER A 87 -0.664 -0.713 -14.944 1.00 0.00 H new ATOM 848 N LEU A 88 -1.374 3.008 -12.576 1.00 0.00 N ATOM 849 CA LEU A 88 -1.871 3.997 -11.613 1.00 0.00 C ATOM 850 C LEU A 88 -1.051 5.284 -11.665 1.00 0.00 C ATOM 851 O LEU A 88 -1.600 6.377 -11.815 1.00 0.00 O ATOM 852 CB LEU A 88 -1.852 3.426 -10.182 1.00 0.00 C ATOM 853 CG LEU A 88 -2.936 2.378 -9.853 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.796 1.132 -10.721 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.881 2.002 -8.378 1.00 0.00 C ATOM 0 H LEU A 88 -0.985 2.168 -12.148 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.899 4.231 -11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.875 2.976 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.952 4.255 -9.481 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.905 2.827 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.577 0.417 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.892 1.407 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.819 0.679 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.652 1.262 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.902 1.584 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.050 2.890 -7.770 1.00 0.00 H new ATOM 867 N PHE A 89 0.264 5.150 -11.553 1.00 0.00 N ATOM 868 CA PHE A 89 1.153 6.313 -11.503 1.00 0.00 C ATOM 869 C PHE A 89 1.257 6.986 -12.869 1.00 0.00 C ATOM 870 O PHE A 89 1.800 8.084 -12.995 1.00 0.00 O ATOM 871 CB PHE A 89 2.527 5.905 -10.971 1.00 0.00 C ATOM 872 CG PHE A 89 2.466 5.424 -9.543 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.551 6.326 -8.493 1.00 0.00 C ATOM 874 CD2 PHE A 89 2.299 4.078 -9.249 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.474 5.896 -7.185 1.00 0.00 C ATOM 876 CE2 PHE A 89 2.221 3.644 -7.941 1.00 0.00 C ATOM 877 CZ PHE A 89 2.308 4.554 -6.908 1.00 0.00 C ATOM 0 H PHE A 89 0.742 4.251 -11.495 1.00 0.00 H new ATOM 0 HA PHE A 89 0.728 7.045 -10.817 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.939 5.116 -11.601 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.207 6.754 -11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.679 7.378 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.229 3.361 -10.054 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.544 6.609 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.092 2.593 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.246 4.217 -5.884 1.00 0.00 H new ATOM 887 N ASN A 90 0.708 6.328 -13.881 1.00 0.00 N ATOM 888 CA ASN A 90 0.599 6.906 -15.220 1.00 0.00 C ATOM 889 C ASN A 90 -0.480 7.984 -15.213 1.00 0.00 C ATOM 890 O ASN A 90 -0.437 8.936 -15.989 1.00 0.00 O ATOM 891 CB ASN A 90 0.266 5.810 -16.245 1.00 0.00 C ATOM 892 CG ASN A 90 0.104 6.327 -17.669 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.700 7.332 -18.060 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.687 5.623 -18.468 1.00 0.00 N ATOM 0 H ASN A 90 0.327 5.385 -13.802 1.00 0.00 H new ATOM 0 HA ASN A 90 1.551 7.356 -15.504 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.056 5.059 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.655 5.311 -15.943 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.816 5.909 -19.438 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.166 4.796 -18.112 1.00 0.00 H new ATOM 901 N ALA A 91 -1.437 7.833 -14.300 1.00 0.00 N ATOM 902 CA ALA A 91 -2.518 8.802 -14.131 1.00 0.00 C ATOM 903 C ALA A 91 -2.151 9.845 -13.073 1.00 0.00 C ATOM 904 O ALA A 91 -3.009 10.595 -12.603 1.00 0.00 O ATOM 905 CB ALA A 91 -3.805 8.080 -13.749 1.00 0.00 C ATOM 0 H ALA A 91 -1.485 7.040 -13.660 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.673 9.323 -15.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.607 8.807 -13.624 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.074 7.375 -14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.656 7.541 -12.814 1.00 0.00 H new ATOM 911 N ASN A 92 -0.865 9.891 -12.718 1.00 0.00 N ATOM 912 CA ASN A 92 -0.351 10.828 -11.713 1.00 0.00 C ATOM 913 C ASN A 92 -1.028 10.608 -10.361 1.00 0.00 C ATOM 914 O ASN A 92 -1.948 11.339 -9.983 1.00 0.00 O ATOM 915 CB ASN A 92 -0.529 12.289 -12.171 1.00 0.00 C ATOM 916 CG ASN A 92 -0.043 13.309 -11.145 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.647 14.371 -10.979 1.00 0.00 O ATOM 918 ND2 ASN A 92 1.062 13.017 -10.468 1.00 0.00 N ATOM 0 H ASN A 92 -0.151 9.282 -13.117 1.00 0.00 H new ATOM 0 HA ASN A 92 0.716 10.634 -11.599 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.013 12.438 -13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.583 12.470 -12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.434 13.680 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.539 12.130 -10.628 1.00 0.00 H new ATOM 925 N TYR A 93 -0.602 9.566 -9.657 1.00 0.00 N ATOM 926 CA TYR A 93 -1.096 9.290 -8.307 1.00 0.00 C ATOM 927 C TYR A 93 -0.022 9.609 -7.267 1.00 0.00 C ATOM 928 O TYR A 93 1.061 9.021 -7.284 1.00 0.00 O ATOM 929 CB TYR A 93 -1.537 7.820 -8.175 1.00 0.00 C ATOM 930 CG TYR A 93 -2.891 7.498 -8.796 1.00 0.00 C ATOM 931 CD1 TYR A 93 -3.576 8.425 -9.578 1.00 0.00 C ATOM 932 CD2 TYR A 93 -3.489 6.257 -8.582 1.00 0.00 C ATOM 933 CE1 TYR A 93 -4.809 8.125 -10.129 1.00 0.00 C ATOM 934 CE2 TYR A 93 -4.722 5.954 -9.128 1.00 0.00 C ATOM 935 CZ TYR A 93 -5.376 6.890 -9.902 1.00 0.00 C ATOM 936 OH TYR A 93 -6.606 6.590 -10.447 1.00 0.00 O ATOM 0 H TYR A 93 0.086 8.895 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.961 9.929 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.781 7.186 -8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.567 7.559 -7.117 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.137 9.395 -9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.980 5.520 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.325 8.856 -10.734 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.172 4.988 -8.949 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.863 5.679 -10.193 1.00 0.00 H new ATOM 946 N ASP A 94 -0.324 10.547 -6.370 1.00 0.00 N ATOM 947 CA ASP A 94 0.578 10.882 -5.268 1.00 0.00 C ATOM 948 C ASP A 94 0.467 9.831 -4.175 1.00 0.00 C ATOM 949 O ASP A 94 -0.078 10.075 -3.092 1.00 0.00 O ATOM 950 CB ASP A 94 0.275 12.275 -4.693 1.00 0.00 C ATOM 951 CG ASP A 94 0.735 13.400 -5.605 1.00 0.00 C ATOM 952 OD1 ASP A 94 1.928 13.774 -5.540 1.00 0.00 O ATOM 953 OD2 ASP A 94 -0.094 13.928 -6.378 1.00 0.00 O ATOM 0 H ASP A 94 -1.188 11.089 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 94 1.596 10.898 -5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.798 12.367 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.762 12.377 -3.723 1.00 0.00 H new ATOM 958 N VAL A 95 0.955 8.642 -4.490 1.00 0.00 N ATOM 959 CA VAL A 95 0.913 7.513 -3.578 1.00 0.00 C ATOM 960 C VAL A 95 2.313 6.946 -3.404 1.00 0.00 C ATOM 961 O VAL A 95 3.055 6.807 -4.379 1.00 0.00 O ATOM 962 CB VAL A 95 -0.025 6.395 -4.110 1.00 0.00 C ATOM 963 CG1 VAL A 95 -0.080 5.214 -3.143 1.00 0.00 C ATOM 964 CG2 VAL A 95 -1.426 6.941 -4.378 1.00 0.00 C ATOM 0 H VAL A 95 1.392 8.433 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 95 0.527 7.865 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 95 0.387 6.037 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.744 4.447 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.920 4.799 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.455 5.552 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.064 6.139 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.845 7.339 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.371 7.735 -5.122 1.00 0.00 H new ATOM 974 N GLN A 96 2.683 6.625 -2.174 1.00 0.00 N ATOM 975 CA GLN A 96 3.962 5.976 -1.927 1.00 0.00 C ATOM 976 C GLN A 96 3.731 4.494 -1.705 1.00 0.00 C ATOM 977 O GLN A 96 3.073 4.094 -0.743 1.00 0.00 O ATOM 978 CB GLN A 96 4.701 6.598 -0.734 1.00 0.00 C ATOM 979 CG GLN A 96 5.954 5.824 -0.311 1.00 0.00 C ATOM 980 CD GLN A 96 7.032 5.743 -1.389 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.748 5.770 -2.585 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.281 5.624 -0.962 1.00 0.00 N ATOM 0 H GLN A 96 2.123 6.801 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 96 4.598 6.122 -2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.984 7.620 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.018 6.657 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.377 6.296 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.664 4.813 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.478 5.605 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.045 5.551 -1.634 1.00 0.00 H new ATOM 991 N ARG A 97 4.262 3.689 -2.611 1.00 0.00 N ATOM 992 CA ARG A 97 4.038 2.254 -2.587 1.00 0.00 C ATOM 993 C ARG A 97 5.300 1.532 -2.143 1.00 0.00 C ATOM 994 O ARG A 97 6.390 1.817 -2.633 1.00 0.00 O ATOM 995 CB ARG A 97 3.578 1.736 -3.969 1.00 0.00 C ATOM 996 CG ARG A 97 4.664 1.674 -5.055 1.00 0.00 C ATOM 997 CD ARG A 97 5.158 3.053 -5.488 1.00 0.00 C ATOM 998 NE ARG A 97 6.103 2.967 -6.609 1.00 0.00 N ATOM 999 CZ ARG A 97 6.323 3.950 -7.489 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.692 5.114 -7.370 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.176 3.766 -8.490 1.00 0.00 N ATOM 0 H ARG A 97 4.855 4.009 -3.377 1.00 0.00 H new ATOM 0 HA ARG A 97 3.243 2.048 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.161 0.737 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.770 2.375 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.508 1.092 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.271 1.146 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.307 3.670 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.639 3.548 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 97 6.627 2.099 -6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.035 5.262 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.865 5.859 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.663 2.875 -8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.344 4.515 -9.161 1.00 0.00 H new ATOM 1015 N PHE A 98 5.146 0.613 -1.202 1.00 0.00 N ATOM 1016 CA PHE A 98 6.241 -0.250 -0.791 1.00 0.00 C ATOM 1017 C PHE A 98 5.951 -1.668 -1.255 1.00 0.00 C ATOM 1018 O PHE A 98 4.834 -2.188 -1.061 1.00 0.00 O ATOM 1019 CB PHE A 98 6.453 -0.222 0.732 1.00 0.00 C ATOM 1020 CG PHE A 98 6.966 1.089 1.281 1.00 0.00 C ATOM 1021 CD1 PHE A 98 7.670 1.974 0.478 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.753 1.427 2.611 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.147 3.167 0.988 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.231 2.619 3.125 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.929 3.488 2.311 1.00 0.00 C ATOM 0 H PHE A 98 4.270 0.446 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 98 7.160 0.116 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.507 -0.458 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.156 -1.011 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.848 1.728 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.207 0.751 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.691 3.848 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.058 2.869 4.161 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.304 4.419 2.710 1.00 0.00 H new ATOM 1035 N ILE A 99 6.949 -2.273 -1.891 1.00 0.00 N ATOM 1036 CA ILE A 99 6.846 -3.633 -2.390 1.00 0.00 C ATOM 1037 C ILE A 99 7.761 -4.555 -1.586 1.00 0.00 C ATOM 1038 O ILE A 99 8.939 -4.732 -1.895 1.00 0.00 O ATOM 1039 CB ILE A 99 7.166 -3.708 -3.913 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.146 -5.166 -4.405 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.506 -3.038 -4.231 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.358 -5.311 -5.899 1.00 0.00 C ATOM 0 H ILE A 99 7.850 -1.831 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 99 5.816 -3.968 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 99 6.388 -3.161 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.920 -5.727 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.190 -5.617 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.702 -3.106 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.468 -1.990 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.303 -3.541 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.331 -6.367 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.569 -4.779 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.326 -4.891 -6.171 1.00 0.00 H new ATOM 1054 N VAL A 100 7.201 -5.098 -0.522 1.00 0.00 N ATOM 1055 CA VAL A 100 7.889 -6.038 0.350 1.00 0.00 C ATOM 1056 C VAL A 100 6.848 -6.983 0.928 1.00 0.00 C ATOM 1057 O VAL A 100 5.721 -6.563 1.183 1.00 0.00 O ATOM 1058 CB VAL A 100 8.658 -5.311 1.489 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.717 -4.442 2.325 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.409 -6.311 2.368 1.00 0.00 C ATOM 0 H VAL A 100 6.243 -4.898 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 100 8.632 -6.590 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 100 9.393 -4.653 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.284 -3.946 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.251 -3.692 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.945 -5.068 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.938 -5.776 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.699 -7.007 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.126 -6.863 1.760 1.00 0.00 H new ATOM 1070 N GLY A 101 7.205 -8.245 1.116 1.00 0.00 N ATOM 1071 CA GLY A 101 6.217 -9.238 1.490 1.00 0.00 C ATOM 1072 C GLY A 101 5.298 -9.520 0.319 1.00 0.00 C ATOM 1073 O GLY A 101 4.210 -8.961 0.226 1.00 0.00 O ATOM 0 H GLY A 101 8.156 -8.599 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.713 -10.157 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.636 -8.883 2.341 1.00 0.00 H new ATOM 1077 N SER A 102 5.758 -10.386 -0.575 1.00 0.00 N ATOM 1078 CA SER A 102 5.136 -10.604 -1.881 1.00 0.00 C ATOM 1079 C SER A 102 3.623 -10.851 -1.819 1.00 0.00 C ATOM 1080 O SER A 102 2.920 -10.632 -2.811 1.00 0.00 O ATOM 1081 CB SER A 102 5.830 -11.777 -2.562 1.00 0.00 C ATOM 1082 OG SER A 102 7.234 -11.607 -2.518 1.00 0.00 O ATOM 0 H SER A 102 6.583 -10.965 -0.415 1.00 0.00 H new ATOM 0 HA SER A 102 5.260 -9.684 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.554 -12.709 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.498 -11.854 -3.597 1.00 0.00 H new ATOM 0 HG SER A 102 7.664 -12.476 -2.375 1.00 0.00 H new ATOM 1088 N ASP A 103 3.121 -11.316 -0.676 1.00 0.00 N ATOM 1089 CA ASP A 103 1.693 -11.591 -0.529 1.00 0.00 C ATOM 1090 C ASP A 103 0.869 -10.316 -0.733 1.00 0.00 C ATOM 1091 O ASP A 103 -0.296 -10.376 -1.156 1.00 0.00 O ATOM 1092 CB ASP A 103 1.381 -12.233 0.843 1.00 0.00 C ATOM 1093 CG ASP A 103 1.363 -11.247 2.009 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.373 -10.554 2.226 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.340 -11.188 2.733 1.00 0.00 O ATOM 0 H ASP A 103 3.678 -11.509 0.157 1.00 0.00 H new ATOM 0 HA ASP A 103 1.412 -12.307 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.412 -12.729 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.123 -13.005 1.047 1.00 0.00 H new ATOM 1100 N ARG A 104 1.489 -9.166 -0.489 1.00 0.00 N ATOM 1101 CA ARG A 104 0.790 -7.889 -0.563 1.00 0.00 C ATOM 1102 C ARG A 104 1.685 -6.765 -1.079 1.00 0.00 C ATOM 1103 O ARG A 104 2.913 -6.863 -1.073 1.00 0.00 O ATOM 1104 CB ARG A 104 0.247 -7.514 0.820 1.00 0.00 C ATOM 1105 CG ARG A 104 1.332 -7.227 1.858 1.00 0.00 C ATOM 1106 CD ARG A 104 0.753 -7.216 3.264 1.00 0.00 C ATOM 1107 NE ARG A 104 0.080 -8.481 3.546 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.121 -8.597 4.107 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.757 -7.526 4.570 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -1.678 -9.794 4.202 1.00 0.00 N ATOM 0 H ARG A 104 2.475 -9.093 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.029 -8.010 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.390 -6.635 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.383 -8.325 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.115 -7.982 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.798 -6.265 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.548 -7.050 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.049 -6.391 3.368 1.00 0.00 H new ATOM 0 HE ARG A 104 0.567 -9.341 3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.325 -6.605 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.677 -7.625 4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.187 -10.615 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.598 -9.896 4.630 1.00 0.00 H new ATOM 1124 N ALA A 105 1.037 -5.715 -1.565 1.00 0.00 N ATOM 1125 CA ALA A 105 1.694 -4.449 -1.869 1.00 0.00 C ATOM 1126 C ALA A 105 1.005 -3.347 -1.070 1.00 0.00 C ATOM 1127 O ALA A 105 -0.221 -3.365 -0.934 1.00 0.00 O ATOM 1128 CB ALA A 105 1.627 -4.158 -3.367 1.00 0.00 C ATOM 0 H ALA A 105 0.036 -5.717 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 105 2.747 -4.499 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.122 -3.210 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.126 -4.957 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.585 -4.100 -3.680 1.00 0.00 H new ATOM 1134 N ILE A 106 1.768 -2.406 -0.518 1.00 0.00 N ATOM 1135 CA ILE A 106 1.166 -1.353 0.307 1.00 0.00 C ATOM 1136 C ILE A 106 1.223 0.006 -0.387 1.00 0.00 C ATOM 1137 O ILE A 106 2.287 0.458 -0.817 1.00 0.00 O ATOM 1138 CB ILE A 106 1.813 -1.265 1.715 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.264 -0.050 2.489 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.332 -1.213 1.616 1.00 0.00 C ATOM 1141 CD1 ILE A 106 1.880 0.140 3.860 1.00 0.00 C ATOM 0 H ILE A 106 2.781 -2.347 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 106 0.120 -1.630 0.440 1.00 0.00 H new ATOM 0 HB ILE A 106 1.549 -2.166 2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.434 0.850 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.185 -0.160 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.760 -1.152 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.695 -2.113 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.629 -0.337 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.440 1.015 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.688 -0.742 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.956 0.284 3.759 1.00 0.00 H new ATOM 1153 N PHE A 107 0.057 0.642 -0.497 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.074 1.971 -1.088 1.00 0.00 C ATOM 1155 C PHE A 107 -0.470 2.988 -0.017 1.00 0.00 C ATOM 1156 O PHE A 107 -1.575 2.928 0.520 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.134 1.963 -2.201 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.766 1.139 -3.412 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.040 1.700 -4.455 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.157 -0.189 -3.515 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.288 0.954 -5.571 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.832 -0.936 -4.631 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.109 -0.365 -5.658 1.00 0.00 C ATOM 0 H PHE A 107 -0.827 0.247 -0.177 1.00 0.00 H new ATOM 0 HA PHE A 107 0.889 2.251 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.070 1.584 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.317 2.990 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.272 2.732 -4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.721 -0.643 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.854 1.402 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.144 -1.968 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.146 -0.950 -6.529 1.00 0.00 H new ATOM 1173 N MET A 108 0.432 3.907 0.304 1.00 0.00 N ATOM 1174 CA MET A 108 0.144 4.977 1.262 1.00 0.00 C ATOM 1175 C MET A 108 -0.403 6.198 0.537 1.00 0.00 C ATOM 1176 O MET A 108 0.263 6.750 -0.352 1.00 0.00 O ATOM 1177 CB MET A 108 1.400 5.357 2.048 1.00 0.00 C ATOM 1178 CG MET A 108 1.812 4.326 3.085 1.00 0.00 C ATOM 1179 SD MET A 108 3.354 4.762 3.899 1.00 0.00 S ATOM 1180 CE MET A 108 4.503 4.557 2.543 1.00 0.00 C ATOM 0 H MET A 108 1.374 3.936 -0.085 1.00 0.00 H new ATOM 0 HA MET A 108 -0.606 4.612 1.964 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.223 5.504 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.230 6.311 2.546 1.00 0.00 H new ATOM 0 HG2 MET A 108 1.024 4.229 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.919 3.353 2.605 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.522 4.686 2.907 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.392 3.559 2.120 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.295 5.302 1.774 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.603 6.625 0.930 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.286 7.723 0.257 1.00 0.00 C ATOM 1192 C LEU A 109 -1.873 9.062 0.855 1.00 0.00 C ATOM 1193 O LEU A 109 -2.291 9.417 1.958 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.817 7.553 0.341 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.435 6.510 -0.613 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.224 6.915 -2.068 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.872 5.114 -0.352 1.00 0.00 C ATOM 0 H LEU A 109 -2.121 6.225 1.712 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.994 7.705 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.077 7.280 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.281 8.519 0.142 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.507 6.477 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.668 6.165 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.697 7.880 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.156 6.990 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.328 4.403 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.792 5.123 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.093 4.818 0.674 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.019 9.783 0.136 1.00 0.00 N ATOM 1210 CA ARG A 110 -0.670 11.150 0.506 1.00 0.00 C ATOM 1211 C ARG A 110 -1.836 12.058 0.106 1.00 0.00 C ATOM 1212 O ARG A 110 -2.079 13.102 0.716 1.00 0.00 O ATOM 1213 CB ARG A 110 0.639 11.575 -0.193 1.00 0.00 C ATOM 1214 CG ARG A 110 1.633 12.329 0.697 1.00 0.00 C ATOM 1215 CD ARG A 110 1.068 13.646 1.226 1.00 0.00 C ATOM 1216 NE ARG A 110 0.454 14.442 0.157 1.00 0.00 N ATOM 1217 CZ ARG A 110 1.039 15.468 -0.469 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.274 15.849 -0.150 1.00 0.00 N ATOM 1219 NH2 ARG A 110 0.380 16.097 -1.434 1.00 0.00 N ATOM 0 H ARG A 110 -0.556 9.443 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.500 11.226 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.129 10.684 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.389 12.204 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.915 11.695 1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.542 12.530 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.326 13.440 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.866 14.221 1.696 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.492 14.193 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.787 15.356 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.707 16.634 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.560 15.796 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.814 16.882 -1.920 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.543 11.628 -0.938 1.00 0.00 N ATOM 1234 CA ASP A 111 -3.781 12.259 -1.393 1.00 0.00 C ATOM 1235 C ASP A 111 -4.809 11.165 -1.684 1.00 0.00 C ATOM 1236 O ASP A 111 -4.605 10.341 -2.577 1.00 0.00 O ATOM 1237 CB ASP A 111 -3.536 13.109 -2.653 1.00 0.00 C ATOM 1238 CG ASP A 111 -2.716 14.365 -2.378 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -1.471 14.279 -2.335 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -3.316 15.446 -2.211 1.00 0.00 O ATOM 0 H ASP A 111 -2.269 10.821 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.154 12.924 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.022 12.503 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.496 13.396 -3.083 1.00 0.00 H new ATOM 1245 N GLY A 112 -5.908 11.153 -0.931 1.00 0.00 N ATOM 1246 CA GLY A 112 -6.850 10.041 -0.986 1.00 0.00 C ATOM 1247 C GLY A 112 -8.121 10.344 -1.763 1.00 0.00 C ATOM 1248 O GLY A 112 -9.106 9.612 -1.647 1.00 0.00 O ATOM 0 H GLY A 112 -6.165 11.896 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.356 9.182 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.118 9.755 0.031 1.00 0.00 H new ATOM 1252 N SER A 113 -8.104 11.402 -2.567 1.00 0.00 N ATOM 1253 CA SER A 113 -9.270 11.788 -3.370 1.00 0.00 C ATOM 1254 C SER A 113 -9.670 10.672 -4.350 1.00 0.00 C ATOM 1255 O SER A 113 -10.803 10.628 -4.832 1.00 0.00 O ATOM 1256 CB SER A 113 -8.955 13.078 -4.136 1.00 0.00 C ATOM 1257 OG SER A 113 -8.471 14.079 -3.255 1.00 0.00 O ATOM 0 H SER A 113 -7.295 12.012 -2.683 1.00 0.00 H new ATOM 0 HA SER A 113 -10.112 11.955 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.213 12.876 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.852 13.435 -4.642 1.00 0.00 H new ATOM 0 HG SER A 113 -8.274 14.894 -3.762 1.00 0.00 H new ATOM 1263 N TYR A 114 -8.725 9.780 -4.628 1.00 0.00 N ATOM 1264 CA TYR A 114 -8.934 8.670 -5.561 1.00 0.00 C ATOM 1265 C TYR A 114 -8.739 7.321 -4.864 1.00 0.00 C ATOM 1266 O TYR A 114 -8.449 6.310 -5.510 1.00 0.00 O ATOM 1267 CB TYR A 114 -7.980 8.811 -6.759 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.557 9.167 -6.365 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -5.640 8.183 -6.009 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.137 10.495 -6.339 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.351 8.513 -5.644 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.849 10.828 -5.973 1.00 0.00 C ATOM 1273 CZ TYR A 114 -3.961 9.835 -5.625 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.677 10.165 -5.261 1.00 0.00 O ATOM 0 H TYR A 114 -7.793 9.803 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.962 8.707 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.970 7.875 -7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.365 9.578 -7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -5.942 7.146 -6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.831 11.277 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -3.649 7.738 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.539 11.862 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.478 9.782 -4.381 1.00 0.00 H new ATOM 1284 N ALA A 115 -8.931 7.309 -3.545 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.724 6.105 -2.736 1.00 0.00 C ATOM 1286 C ALA A 115 -9.682 4.983 -3.147 1.00 0.00 C ATOM 1287 O ALA A 115 -9.309 3.807 -3.173 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.888 6.428 -1.254 1.00 0.00 C ATOM 0 H ALA A 115 -9.231 8.124 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.707 5.755 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.731 5.524 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.157 7.182 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.893 6.809 -1.074 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.915 5.342 -3.478 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.914 4.345 -3.848 1.00 0.00 C ATOM 1296 C TRP A 116 -11.730 3.897 -5.292 1.00 0.00 C ATOM 1297 O TRP A 116 -12.075 2.772 -5.645 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.337 4.872 -3.592 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.007 4.159 -2.455 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.214 3.521 -2.476 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.482 3.979 -1.133 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.472 2.959 -1.251 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.425 3.228 -0.409 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.305 4.383 -0.490 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.227 2.869 0.921 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.108 4.026 0.828 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.065 3.276 1.521 1.00 0.00 C ATOM 0 H TRP A 116 -11.247 6.306 -3.498 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.771 3.469 -3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.294 5.939 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.935 4.754 -4.496 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.870 3.467 -3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.308 2.427 -1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.564 4.965 -1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.963 2.291 1.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.202 4.330 1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.883 3.012 2.552 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.165 4.771 -6.113 1.00 0.00 N ATOM 1319 CA GLU A 117 -10.851 4.428 -7.496 1.00 0.00 C ATOM 1320 C GLU A 117 -9.820 3.304 -7.528 1.00 0.00 C ATOM 1321 O GLU A 117 -10.015 2.280 -8.194 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.344 5.668 -8.251 1.00 0.00 C ATOM 1323 CG GLU A 117 -11.441 6.684 -8.585 1.00 0.00 C ATOM 1324 CD GLU A 117 -12.377 6.961 -7.418 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.950 7.612 -6.441 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -13.539 6.497 -7.455 1.00 0.00 O ATOM 0 H GLU A 117 -10.914 5.723 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.755 4.079 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.579 6.159 -7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.866 5.347 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.978 7.619 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.023 6.316 -9.430 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.733 3.483 -6.780 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.712 2.448 -6.680 1.00 0.00 C ATOM 1335 C ILE A 118 -8.288 1.204 -6.000 1.00 0.00 C ATOM 1336 O ILE A 118 -8.042 0.087 -6.446 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.435 2.941 -5.936 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.406 1.803 -5.796 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.779 3.525 -4.568 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.139 2.203 -5.063 1.00 0.00 C ATOM 0 H ILE A 118 -8.539 4.327 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.406 2.194 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.990 3.734 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.871 0.970 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.140 1.443 -6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.866 3.860 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.455 4.371 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.262 2.762 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.466 1.347 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.649 3.015 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.391 2.534 -4.056 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.089 1.403 -4.945 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.726 0.287 -4.237 1.00 0.00 C ATOM 1354 C LYS A 119 -10.529 -0.589 -5.205 1.00 0.00 C ATOM 1355 O LYS A 119 -10.337 -1.810 -5.263 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.645 0.799 -3.117 1.00 0.00 C ATOM 1357 CG LYS A 119 -11.341 -0.320 -2.348 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.312 0.219 -1.300 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.033 -0.914 -0.572 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.041 -0.412 0.400 1.00 0.00 N ATOM 0 H LYS A 119 -9.310 2.323 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.933 -0.315 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.058 1.398 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.399 1.458 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.881 -0.958 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.592 -0.944 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.769 0.829 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.044 0.869 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.525 -1.557 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.302 -1.529 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.856 -0.825 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.979 0.624 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.994 -0.684 0.084 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.422 0.042 -5.970 1.00 0.00 N ATOM 1375 CA ASP A 120 -12.253 -0.677 -6.934 1.00 0.00 C ATOM 1376 C ASP A 120 -11.386 -1.364 -7.981 1.00 0.00 C ATOM 1377 O ASP A 120 -11.654 -2.501 -8.374 1.00 0.00 O ATOM 1378 CB ASP A 120 -13.274 0.253 -7.613 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.466 0.574 -6.719 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -15.218 -0.364 -6.367 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -14.667 1.759 -6.374 1.00 0.00 O ATOM 0 H ASP A 120 -11.587 1.048 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.810 -1.435 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.779 1.181 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.630 -0.214 -8.531 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.323 -0.691 -8.409 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.391 -1.275 -9.365 1.00 0.00 C ATOM 1388 C PHE A 121 -8.771 -2.548 -8.781 1.00 0.00 C ATOM 1389 O PHE A 121 -8.613 -3.552 -9.477 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.304 -0.251 -9.723 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.233 -0.785 -10.642 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.451 -0.882 -12.009 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -6.007 -1.185 -10.133 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.465 -1.368 -12.849 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -5.021 -1.672 -10.968 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.250 -1.764 -12.326 1.00 0.00 C ATOM 0 H PHE A 121 -10.087 0.255 -8.110 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.927 -1.543 -10.276 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.774 0.612 -10.194 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.836 0.102 -8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.401 -0.575 -12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.821 -1.115 -9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.645 -1.438 -13.912 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.071 -1.981 -10.559 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.479 -2.146 -12.979 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.454 -2.500 -7.489 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.839 -3.629 -6.793 1.00 0.00 C ATOM 1408 C LEU A 122 -8.800 -4.818 -6.700 1.00 0.00 C ATOM 1409 O LEU A 122 -8.395 -5.970 -6.878 1.00 0.00 O ATOM 1410 CB LEU A 122 -7.390 -3.205 -5.390 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.332 -2.088 -5.349 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -6.112 -1.606 -3.919 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -5.018 -2.557 -5.975 1.00 0.00 C ATOM 0 H LEU A 122 -8.614 -1.684 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.969 -3.943 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.265 -2.875 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.992 -4.079 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.703 -1.248 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.360 -0.817 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.048 -1.219 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.770 -2.438 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.287 -1.750 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.639 -3.418 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.190 -2.838 -7.014 1.00 0.00 H new ATOM 1425 N VAL A 123 -10.076 -4.544 -6.421 1.00 0.00 N ATOM 1426 CA VAL A 123 -11.071 -5.615 -6.325 1.00 0.00 C ATOM 1427 C VAL A 123 -11.456 -6.124 -7.718 1.00 0.00 C ATOM 1428 O VAL A 123 -11.990 -7.226 -7.858 1.00 0.00 O ATOM 1429 CB VAL A 123 -12.344 -5.179 -5.547 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.976 -4.663 -4.157 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -13.145 -4.138 -6.322 1.00 0.00 C ATOM 0 H VAL A 123 -10.441 -3.605 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.606 -6.423 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.979 -6.057 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.881 -4.363 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.474 -5.452 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -11.310 -3.805 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -14.028 -3.857 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.527 -3.256 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.454 -4.556 -7.280 1.00 0.00 H new ATOM 1441 N SER A 124 -11.179 -5.315 -8.745 1.00 0.00 N ATOM 1442 CA SER A 124 -11.409 -5.717 -10.135 1.00 0.00 C ATOM 1443 C SER A 124 -10.249 -6.570 -10.669 1.00 0.00 C ATOM 1444 O SER A 124 -10.273 -7.018 -11.820 1.00 0.00 O ATOM 1445 CB SER A 124 -11.602 -4.478 -11.018 1.00 0.00 C ATOM 1446 OG SER A 124 -12.718 -3.717 -10.584 1.00 0.00 O ATOM 0 H SER A 124 -10.794 -4.376 -8.639 1.00 0.00 H new ATOM 0 HA SER A 124 -12.314 -6.323 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.703 -3.862 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.746 -4.784 -12.054 1.00 0.00 H new ATOM 0 HG SER A 124 -12.456 -3.156 -9.825 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.250 -6.807 -9.822 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.064 -7.568 -10.217 1.00 0.00 C ATOM 1454 C GLN A 125 -8.382 -9.057 -10.334 1.00 0.00 C ATOM 1455 O GLN A 125 -9.392 -9.531 -9.812 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.905 -7.341 -9.237 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.291 -5.945 -9.321 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.788 -5.611 -10.716 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.544 -5.966 -10.999 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -6.510 -5.050 -11.537 1.00 0.00 N flip ATOM 0 H GLN A 125 -9.237 -6.483 -8.855 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.754 -7.206 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.262 -7.510 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.129 -8.081 -9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.034 -5.207 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.465 -5.872 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -7.464 -4.791 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.156 -4.844 -12.471 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.499 -9.782 -11.016 1.00 0.00 N ATOM 1470 CA ASP A 126 -7.712 -11.198 -11.323 1.00 0.00 C ATOM 1471 C ASP A 126 -8.001 -12.006 -10.056 1.00 0.00 C ATOM 1472 O ASP A 126 -9.096 -12.545 -9.889 1.00 0.00 O ATOM 1473 CB ASP A 126 -6.500 -11.783 -12.055 1.00 0.00 C ATOM 1474 CG ASP A 126 -6.701 -13.247 -12.410 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -7.609 -13.544 -13.217 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -5.962 -14.104 -11.882 1.00 0.00 O ATOM 0 H ASP A 126 -6.619 -9.409 -11.371 1.00 0.00 H new ATOM 0 HA ASP A 126 -8.583 -11.264 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.315 -11.212 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.614 -11.680 -11.429 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.019 -12.075 -9.161 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.176 -12.763 -7.874 1.00 0.00 C ATOM 1483 C ARG A 127 -8.211 -12.075 -6.976 1.00 0.00 C ATOM 1484 O ARG A 127 -8.566 -12.610 -5.922 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.831 -12.822 -7.137 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.873 -13.895 -7.646 1.00 0.00 C ATOM 1487 CD ARG A 127 -3.506 -13.778 -6.979 1.00 0.00 C ATOM 1488 NE ARG A 127 -2.719 -15.005 -7.096 1.00 0.00 N ATOM 1489 CZ ARG A 127 -1.462 -15.056 -7.537 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -0.870 -13.968 -8.012 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -0.803 -16.205 -7.513 1.00 0.00 N ATOM 0 H ARG A 127 -6.098 -11.661 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.530 -13.771 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.344 -11.850 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.020 -12.995 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.292 -14.882 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.762 -13.804 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -2.955 -12.952 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.639 -13.535 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 127 -3.162 -15.882 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.377 -13.083 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.092 -14.016 -8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.258 -17.046 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.159 -16.248 -7.850 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.690 -10.903 -7.399 1.00 0.00 N ATOM 1506 CA CYS A 128 -9.561 -10.069 -6.576 1.00 0.00 C ATOM 1507 C CYS A 128 -8.851 -9.749 -5.262 1.00 0.00 C ATOM 1508 O CYS A 128 -9.094 -10.383 -4.230 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.918 -10.750 -6.326 1.00 0.00 C ATOM 1510 SG CYS A 128 -12.130 -9.702 -5.485 1.00 0.00 S ATOM 0 H CYS A 128 -8.485 -10.509 -8.317 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.768 -9.140 -7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -11.333 -11.071 -7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.757 -11.649 -5.731 1.00 0.00 H new ATOM 0 HG CYS A 128 -12.312 -8.613 -6.171 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.942 -8.780 -5.328 1.00 0.00 N ATOM 1517 CA ALA A 129 -7.041 -8.473 -4.223 1.00 0.00 C ATOM 1518 C ALA A 129 -7.801 -8.062 -2.964 1.00 0.00 C ATOM 1519 O ALA A 129 -8.808 -7.349 -3.035 1.00 0.00 O ATOM 1520 CB ALA A 129 -6.066 -7.377 -4.635 1.00 0.00 C ATOM 0 H ALA A 129 -7.810 -8.187 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.486 -9.381 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.397 -7.154 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.481 -7.713 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.621 -6.479 -4.905 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.310 -8.520 -1.818 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.884 -8.167 -0.526 1.00 0.00 C ATOM 1528 C GLU A 130 -7.414 -6.776 -0.117 1.00 0.00 C ATOM 1529 O GLU A 130 -6.214 -6.538 0.045 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.481 -9.199 0.537 1.00 0.00 C ATOM 1531 CG GLU A 130 -7.913 -8.834 1.956 1.00 0.00 C ATOM 1532 CD GLU A 130 -7.491 -9.876 2.979 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -6.323 -9.849 3.419 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.329 -10.736 3.336 1.00 0.00 O ATOM 0 H GLU A 130 -6.506 -9.144 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.971 -8.165 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.914 -10.164 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.398 -9.320 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.483 -7.869 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.997 -8.720 1.984 1.00 0.00 H new ATOM 1541 N VAL A 131 -8.359 -5.859 0.036 1.00 0.00 N ATOM 1542 CA VAL A 131 -8.049 -4.478 0.378 1.00 0.00 C ATOM 1543 C VAL A 131 -8.302 -4.226 1.861 1.00 0.00 C ATOM 1544 O VAL A 131 -9.363 -4.566 2.384 1.00 0.00 O ATOM 1545 CB VAL A 131 -8.894 -3.488 -0.465 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.513 -2.041 -0.151 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -8.741 -3.778 -1.958 1.00 0.00 C ATOM 0 H VAL A 131 -9.355 -6.049 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.995 -4.313 0.157 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.942 -3.627 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -9.119 -1.366 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.689 -1.840 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -7.459 -1.884 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -9.343 -3.071 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -7.694 -3.677 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.077 -4.793 -2.168 1.00 0.00 H new ATOM 1557 N THR A 132 -7.319 -3.638 2.533 1.00 0.00 N ATOM 1558 CA THR A 132 -7.440 -3.273 3.940 1.00 0.00 C ATOM 1559 C THR A 132 -6.876 -1.867 4.147 1.00 0.00 C ATOM 1560 O THR A 132 -5.768 -1.573 3.697 1.00 0.00 O ATOM 1561 CB THR A 132 -6.700 -4.284 4.853 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.378 -4.519 4.353 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.451 -5.612 4.942 1.00 0.00 C ATOM 0 H THR A 132 -6.417 -3.401 2.119 1.00 0.00 H new ATOM 0 HA THR A 132 -8.495 -3.293 4.213 1.00 0.00 H new ATOM 0 HB THR A 132 -6.648 -3.851 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.331 -4.249 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.904 -6.297 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.446 -5.441 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.540 -6.047 3.947 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.639 -0.990 4.797 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.216 0.396 4.992 1.00 0.00 C ATOM 1573 C LEU A 133 -6.946 0.661 6.469 1.00 0.00 C ATOM 1574 O LEU A 133 -7.792 0.382 7.322 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.283 1.384 4.478 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.688 1.240 2.996 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -9.643 0.066 2.787 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -9.311 2.534 2.477 1.00 0.00 C ATOM 0 H LEU A 133 -8.551 -1.213 5.197 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.301 0.548 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.178 1.271 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.915 2.398 4.636 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.781 1.037 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.907 -0.005 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -9.158 -0.858 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.546 0.222 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.589 2.410 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.199 2.771 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.590 3.347 2.567 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.764 1.185 6.767 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.396 1.541 8.131 1.00 0.00 C ATOM 1592 C GLU A 134 -5.068 3.031 8.211 1.00 0.00 C ATOM 1593 O GLU A 134 -4.615 3.627 7.232 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.205 0.692 8.601 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.889 0.841 10.084 1.00 0.00 C ATOM 1596 CD GLU A 134 -5.106 0.588 10.961 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -5.527 -0.583 11.083 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -5.658 1.561 11.522 1.00 0.00 O ATOM 0 H GLU A 134 -5.038 1.374 6.076 1.00 0.00 H new ATOM 0 HA GLU A 134 -6.239 1.337 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.412 -0.357 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.324 0.968 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.096 0.144 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -3.510 1.845 10.273 1.00 0.00 H new ATOM 1605 N GLY A 135 -5.309 3.625 9.373 1.00 0.00 N ATOM 1606 CA GLY A 135 -5.092 5.050 9.557 1.00 0.00 C ATOM 1607 C GLY A 135 -6.313 5.710 10.158 1.00 0.00 C ATOM 1608 O GLY A 135 -6.503 5.680 11.375 1.00 0.00 O ATOM 0 H GLY A 135 -5.655 3.140 10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.231 5.210 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.859 5.513 8.598 1.00 0.00 H new ATOM 1612 N GLN A 136 -7.148 6.297 9.307 1.00 0.00 N ATOM 1613 CA GLN A 136 -8.425 6.862 9.735 1.00 0.00 C ATOM 1614 C GLN A 136 -9.558 6.265 8.902 1.00 0.00 C ATOM 1615 O GLN A 136 -9.726 6.604 7.727 1.00 0.00 O ATOM 1616 CB GLN A 136 -8.413 8.393 9.607 1.00 0.00 C ATOM 1617 CG GLN A 136 -7.416 9.080 10.536 1.00 0.00 C ATOM 1618 CD GLN A 136 -7.446 10.593 10.408 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -8.202 11.273 11.103 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -6.627 11.130 9.518 1.00 0.00 N ATOM 0 H GLN A 136 -6.962 6.395 8.309 1.00 0.00 H new ATOM 0 HA GLN A 136 -8.585 6.613 10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -8.179 8.660 8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -9.413 8.774 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -7.634 8.802 11.567 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -6.411 8.720 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -6.016 10.532 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -6.607 12.142 9.389 1.00 0.00 H new ATOM 1629 N MET A 137 -10.315 5.354 9.505 1.00 0.00 N ATOM 1630 CA MET A 137 -11.416 4.691 8.816 1.00 0.00 C ATOM 1631 C MET A 137 -12.653 5.589 8.818 1.00 0.00 C ATOM 1632 O MET A 137 -13.512 5.485 9.697 1.00 0.00 O ATOM 1633 CB MET A 137 -11.729 3.334 9.471 1.00 0.00 C ATOM 1634 CG MET A 137 -12.737 2.474 8.703 1.00 0.00 C ATOM 1635 SD MET A 137 -11.978 1.401 7.453 1.00 0.00 S ATOM 1636 CE MET A 137 -11.334 2.576 6.263 1.00 0.00 C ATOM 0 H MET A 137 -10.185 5.057 10.472 1.00 0.00 H new ATOM 0 HA MET A 137 -11.120 4.507 7.783 1.00 0.00 H new ATOM 0 HB2 MET A 137 -10.800 2.774 9.578 1.00 0.00 H new ATOM 0 HB3 MET A 137 -12.112 3.510 10.476 1.00 0.00 H new ATOM 0 HG2 MET A 137 -13.289 1.857 9.412 1.00 0.00 H new ATOM 0 HG3 MET A 137 -13.462 3.127 8.217 1.00 0.00 H new ATOM 0 HE1 MET A 137 -11.421 2.161 5.259 1.00 0.00 H new ATOM 0 HE2 MET A 137 -11.903 3.504 6.323 1.00 0.00 H new ATOM 0 HE3 MET A 137 -10.286 2.779 6.482 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.711 6.498 7.850 1.00 0.00 N ATOM 1647 CA TYR A 138 -13.819 7.446 7.740 1.00 0.00 C ATOM 1648 C TYR A 138 -15.111 6.817 7.172 1.00 0.00 C ATOM 1649 O TYR A 138 -16.201 7.240 7.561 1.00 0.00 O ATOM 1650 CB TYR A 138 -13.404 8.684 6.914 1.00 0.00 C ATOM 1651 CG TYR A 138 -13.040 8.397 5.465 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -11.777 7.917 5.123 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -13.955 8.611 4.439 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -11.444 7.658 3.808 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -13.626 8.354 3.121 1.00 0.00 C ATOM 1656 CZ TYR A 138 -12.371 7.879 2.811 1.00 0.00 C ATOM 1657 OH TYR A 138 -12.039 7.620 1.500 1.00 0.00 O ATOM 0 H TYR A 138 -12.000 6.600 7.126 1.00 0.00 H new ATOM 0 HA TYR A 138 -14.053 7.759 8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -14.222 9.405 6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -12.551 9.157 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -11.046 7.745 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -14.940 8.985 4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.461 7.284 3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -14.350 8.525 2.338 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.062 6.653 1.342 1.00 0.00 H new ATOM 1667 N PRO A 139 -15.048 5.812 6.251 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.258 5.222 5.666 1.00 0.00 C ATOM 1669 C PRO A 139 -16.936 4.237 6.618 1.00 0.00 C ATOM 1670 O PRO A 139 -16.336 3.234 7.019 1.00 0.00 O ATOM 1671 CB PRO A 139 -15.749 4.493 4.401 1.00 0.00 C ATOM 1672 CG PRO A 139 -14.286 4.800 4.314 1.00 0.00 C ATOM 1673 CD PRO A 139 -13.852 5.163 5.705 1.00 0.00 C ATOM 0 HA PRO A 139 -17.011 5.980 5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -15.919 3.419 4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -16.275 4.840 3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -13.729 3.939 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -14.101 5.621 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -13.567 4.284 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -12.993 5.834 5.700 1.00 0.00 H new ATOM 1681 N GLY A 140 -18.182 4.532 6.979 1.00 0.00 N ATOM 1682 CA GLY A 140 -18.942 3.657 7.850 1.00 0.00 C ATOM 1683 C GLY A 140 -18.401 3.636 9.267 1.00 0.00 C ATOM 1684 O GLY A 140 -18.342 4.677 9.931 1.00 0.00 O ATOM 0 H GLY A 140 -18.681 5.370 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -19.983 3.981 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -18.929 2.645 7.444 1.00 0.00 H new ATOM 1688 N LYS A 141 -17.992 2.455 9.725 1.00 0.00 N ATOM 1689 CA LYS A 141 -17.483 2.275 11.086 1.00 0.00 C ATOM 1690 C LYS A 141 -16.073 1.694 11.060 1.00 0.00 C ATOM 1691 O LYS A 141 -15.612 1.209 10.020 1.00 0.00 O ATOM 1692 CB LYS A 141 -18.420 1.353 11.882 1.00 0.00 C ATOM 1693 CG LYS A 141 -19.842 1.896 12.016 1.00 0.00 C ATOM 1694 CD LYS A 141 -20.760 0.925 12.753 1.00 0.00 C ATOM 1695 CE LYS A 141 -22.173 1.481 12.885 1.00 0.00 C ATOM 1696 NZ LYS A 141 -23.092 0.515 13.544 1.00 0.00 N ATOM 0 H LYS A 141 -18.003 1.600 9.169 1.00 0.00 H new ATOM 0 HA LYS A 141 -17.446 3.250 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -18.456 0.378 11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -18.004 1.197 12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -19.818 2.847 12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -20.248 2.096 11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -20.790 -0.025 12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -20.354 0.721 13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -22.146 2.406 13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -22.558 1.731 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -24.042 0.932 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -23.138 -0.359 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -22.739 0.295 14.497 1.00 0.00 H new TER 1710 LYS A 141