USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 678 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 34 SER OG : rot -130:sc= 1.2 USER MOD Set 1.2: A 38 ASN : amide:sc= 1.02 K(o=2.2,f=-4!) USER MOD Single : A 0 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 160:sc= 0 USER MOD Single : A -1 SER OG : rot 10:sc= 1.26 USER MOD Single : A -2 GLY N :NH3+ 147:sc= 0.029 (180deg=0) USER MOD Single : A 11 MET CE :methyl 177:sc= 0 (180deg=-0.00148) USER MOD Single : A 12 THR OG1 : rot -150:sc=-0.00387 USER MOD Single : A 18 THR OG1 : rot -85:sc= 1.32 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 176:sc= 1.04 USER MOD Single : A 58 GLN : amide:sc= -0.0755 X(o=-0.076,f=-0.24) USER MOD Single : A 63 SER OG : rot -120:sc= -0.0888 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.16 K(o=1.2,f=-0.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 11.718 14.971 9.665 1.00 0.00 N ATOM 2 CA GLY A -2 11.159 13.870 10.470 1.00 0.00 C ATOM 3 C GLY A -2 9.719 13.724 10.018 1.00 0.00 C ATOM 4 O GLY A -2 9.003 14.718 10.028 1.00 0.00 O ATOM 0 H1 GLY A -2 12.421 15.491 10.228 1.00 0.00 H new ATOM 0 H2 GLY A -2 12.175 14.583 8.815 1.00 0.00 H new ATOM 0 H3 GLY A -2 10.954 15.617 9.383 1.00 0.00 H new ATOM 0 HA2 GLY A -2 11.715 12.946 10.311 1.00 0.00 H new ATOM 0 HA3 GLY A -2 11.215 14.096 11.535 1.00 0.00 H new ATOM 10 N SER A -1 9.355 12.555 9.461 1.00 0.00 N ATOM 11 CA SER A -1 7.971 12.221 9.052 1.00 0.00 C ATOM 12 C SER A -1 7.585 10.718 8.901 1.00 0.00 C ATOM 13 O SER A -1 7.014 10.163 9.835 1.00 0.00 O ATOM 14 CB SER A -1 7.601 12.956 7.752 1.00 0.00 C ATOM 15 OG SER A -1 7.366 14.316 8.002 1.00 0.00 O ATOM 0 H SER A -1 10.020 11.803 9.278 1.00 0.00 H new ATOM 0 HA SER A -1 7.394 12.558 9.913 1.00 0.00 H new ATOM 0 HB2 SER A -1 8.406 12.848 7.025 1.00 0.00 H new ATOM 0 HB3 SER A -1 6.712 12.503 7.312 1.00 0.00 H new ATOM 0 HG SER A -1 7.639 14.532 8.918 1.00 0.00 H new ATOM 21 N HIS A 0 7.710 10.136 7.682 1.00 0.00 N ATOM 22 CA HIS A 0 6.727 9.166 7.120 1.00 0.00 C ATOM 23 C HIS A 0 6.719 7.764 7.773 1.00 0.00 C ATOM 24 O HIS A 0 7.702 7.335 8.369 1.00 0.00 O ATOM 25 CB HIS A 0 6.888 8.983 5.584 1.00 0.00 C ATOM 26 CG HIS A 0 6.824 10.233 4.730 1.00 0.00 C ATOM 27 ND1 HIS A 0 7.583 10.491 3.596 1.00 0.00 N ATOM 28 CD2 HIS A 0 5.956 11.273 4.899 1.00 0.00 C ATOM 29 CE1 HIS A 0 7.218 11.703 3.126 1.00 0.00 C ATOM 30 NE2 HIS A 0 6.231 12.199 3.906 1.00 0.00 N ATOM 0 H HIS A 0 8.495 10.324 7.058 1.00 0.00 H new ATOM 0 HA HIS A 0 5.773 9.636 7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 0 7.846 8.496 5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 0 6.111 8.299 5.241 1.00 0.00 H new ATOM 0 HD2 HIS A 0 5.198 11.358 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 0 7.645 12.197 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 0 5.769 13.100 3.784 1.00 0.00 H new ATOM 39 N MET A 1 5.627 7.018 7.529 1.00 0.00 N ATOM 40 CA MET A 1 5.368 5.613 7.907 1.00 0.00 C ATOM 41 C MET A 1 5.050 4.720 6.680 1.00 0.00 C ATOM 42 O MET A 1 4.702 5.231 5.616 1.00 0.00 O ATOM 43 CB MET A 1 4.166 5.558 8.880 1.00 0.00 C ATOM 44 CG MET A 1 4.554 5.468 10.357 1.00 0.00 C ATOM 45 SD MET A 1 3.100 5.324 11.435 1.00 0.00 S ATOM 46 CE MET A 1 3.861 4.692 12.953 1.00 0.00 C ATOM 0 H MET A 1 4.836 7.413 7.020 1.00 0.00 H new ATOM 0 HA MET A 1 6.274 5.232 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.552 6.447 8.731 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.547 4.697 8.626 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.205 4.607 10.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.126 6.353 10.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.093 4.551 13.714 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.347 3.738 12.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.602 5.406 13.313 1.00 0.00 H new ATOM 56 N THR A 2 5.097 3.387 6.860 1.00 0.00 N ATOM 57 CA THR A 2 4.712 2.322 5.899 1.00 0.00 C ATOM 58 C THR A 2 4.169 1.093 6.644 1.00 0.00 C ATOM 59 O THR A 2 4.563 0.895 7.793 1.00 0.00 O ATOM 60 CB THR A 2 5.924 1.826 5.086 1.00 0.00 C ATOM 61 OG1 THR A 2 6.959 1.405 5.952 1.00 0.00 O ATOM 62 CG2 THR A 2 6.474 2.882 4.129 1.00 0.00 C ATOM 0 H THR A 2 5.427 2.992 7.741 1.00 0.00 H new ATOM 0 HA THR A 2 3.961 2.761 5.243 1.00 0.00 H new ATOM 0 HB THR A 2 5.566 0.990 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.721 1.091 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.326 2.472 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.697 3.171 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.792 3.757 4.696 1.00 0.00 H new ATOM 70 N LEU A 3 3.372 0.222 5.995 1.00 0.00 N ATOM 71 CA LEU A 3 2.837 -1.005 6.616 1.00 0.00 C ATOM 72 C LEU A 3 3.229 -2.278 5.843 1.00 0.00 C ATOM 73 O LEU A 3 3.473 -2.243 4.640 1.00 0.00 O ATOM 74 CB LEU A 3 1.302 -0.914 6.782 1.00 0.00 C ATOM 75 CG LEU A 3 0.744 -0.018 7.911 1.00 0.00 C ATOM 76 CD1 LEU A 3 1.482 -0.188 9.245 1.00 0.00 C ATOM 77 CD2 LEU A 3 0.692 1.472 7.562 1.00 0.00 C ATOM 0 H LEU A 3 3.081 0.349 5.026 1.00 0.00 H new ATOM 0 HA LEU A 3 3.292 -1.082 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.885 -0.561 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.923 -1.924 6.940 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.279 -0.376 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.039 0.470 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.399 -1.223 9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.533 0.068 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.289 2.030 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.697 1.829 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.053 1.620 6.692 1.00 0.00 H new ATOM 89 N ARG A 4 3.276 -3.419 6.549 1.00 0.00 N ATOM 90 CA ARG A 4 3.768 -4.712 6.031 1.00 0.00 C ATOM 91 C ARG A 4 2.622 -5.704 5.783 1.00 0.00 C ATOM 92 O ARG A 4 1.528 -5.528 6.322 1.00 0.00 O ATOM 93 CB ARG A 4 4.808 -5.328 6.997 1.00 0.00 C ATOM 94 CG ARG A 4 5.732 -4.324 7.718 1.00 0.00 C ATOM 95 CD ARG A 4 6.899 -5.011 8.448 1.00 0.00 C ATOM 96 NE ARG A 4 6.833 -4.819 9.911 1.00 0.00 N ATOM 97 CZ ARG A 4 6.201 -5.568 10.806 1.00 0.00 C ATOM 98 NH1 ARG A 4 5.532 -6.644 10.464 1.00 0.00 N ATOM 99 NH2 ARG A 4 6.231 -5.243 12.077 1.00 0.00 N ATOM 0 H ARG A 4 2.966 -3.473 7.519 1.00 0.00 H new ATOM 0 HA ARG A 4 4.248 -4.513 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.276 -5.909 7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.429 -6.026 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.130 -3.616 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.147 -3.749 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.889 -6.077 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.843 -4.615 8.074 1.00 0.00 H new ATOM 0 HE ARG A 4 7.335 -4.011 10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.487 -6.927 9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.057 -7.198 11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.741 -4.413 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.744 -5.820 12.763 1.00 0.00 H new ATOM 113 N ILE A 5 2.898 -6.804 5.064 1.00 0.00 N ATOM 114 CA ILE A 5 1.948 -7.909 4.810 1.00 0.00 C ATOM 115 C ILE A 5 1.266 -8.374 6.107 1.00 0.00 C ATOM 116 O ILE A 5 0.040 -8.409 6.180 1.00 0.00 O ATOM 117 CB ILE A 5 2.648 -9.051 4.021 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.681 -9.918 3.179 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.600 -9.919 4.864 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.570 -10.662 3.929 1.00 0.00 C ATOM 0 H ILE A 5 3.809 -6.957 4.631 1.00 0.00 H new ATOM 0 HA ILE A 5 1.138 -7.547 4.176 1.00 0.00 H new ATOM 0 HB ILE A 5 3.280 -8.513 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.213 -9.275 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.274 -10.655 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.044 -10.690 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.389 -9.293 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.042 -10.389 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.032 -11.229 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.014 -11.344 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.063 -9.943 4.448 1.00 0.00 H new ATOM 132 N ARG A 6 2.062 -8.586 7.167 1.00 0.00 N ATOM 133 CA ARG A 6 1.624 -8.914 8.528 1.00 0.00 C ATOM 134 C ARG A 6 0.542 -7.954 9.052 1.00 0.00 C ATOM 135 O ARG A 6 -0.399 -8.394 9.703 1.00 0.00 O ATOM 136 CB ARG A 6 2.849 -8.922 9.475 1.00 0.00 C ATOM 137 CG ARG A 6 3.118 -10.254 10.205 1.00 0.00 C ATOM 138 CD ARG A 6 4.294 -11.052 9.612 1.00 0.00 C ATOM 139 NE ARG A 6 4.816 -12.040 10.579 1.00 0.00 N ATOM 140 CZ ARG A 6 5.887 -12.815 10.442 1.00 0.00 C ATOM 141 NH1 ARG A 6 6.573 -12.866 9.324 1.00 0.00 N ATOM 142 NH2 ARG A 6 6.301 -13.555 11.446 1.00 0.00 N ATOM 0 H ARG A 6 3.078 -8.530 7.092 1.00 0.00 H new ATOM 0 HA ARG A 6 1.170 -9.904 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.735 -8.660 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.713 -8.140 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.322 -10.049 11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.218 -10.867 10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.969 -11.564 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.091 -10.367 9.322 1.00 0.00 H new ATOM 0 HE ARG A 6 4.295 -12.138 11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.289 -12.299 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.390 -13.472 9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.800 -13.536 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.123 -14.149 11.337 1.00 0.00 H new ATOM 156 N THR A 7 0.666 -6.645 8.786 1.00 0.00 N ATOM 157 CA THR A 7 -0.314 -5.633 9.221 1.00 0.00 C ATOM 158 C THR A 7 -1.609 -5.713 8.420 1.00 0.00 C ATOM 159 O THR A 7 -2.682 -5.627 9.010 1.00 0.00 O ATOM 160 CB THR A 7 0.252 -4.209 9.135 1.00 0.00 C ATOM 161 OG1 THR A 7 1.425 -4.152 9.912 1.00 0.00 O ATOM 162 CG2 THR A 7 -0.752 -3.181 9.669 1.00 0.00 C ATOM 0 H THR A 7 1.450 -6.255 8.262 1.00 0.00 H new ATOM 0 HA THR A 7 -0.533 -5.858 10.265 1.00 0.00 H new ATOM 0 HB THR A 7 0.460 -3.972 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.968 -3.386 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.323 -2.182 9.595 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.668 -3.227 9.080 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.980 -3.402 10.712 1.00 0.00 H new ATOM 170 N ILE A 8 -1.526 -5.906 7.098 1.00 0.00 N ATOM 171 CA ILE A 8 -2.722 -6.138 6.281 1.00 0.00 C ATOM 172 C ILE A 8 -3.422 -7.428 6.742 1.00 0.00 C ATOM 173 O ILE A 8 -4.626 -7.426 6.988 1.00 0.00 O ATOM 174 CB ILE A 8 -2.390 -6.160 4.773 1.00 0.00 C ATOM 175 CG1 ILE A 8 -1.592 -4.904 4.348 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.703 -6.252 3.984 1.00 0.00 C ATOM 177 CD1 ILE A 8 -1.437 -4.717 2.832 1.00 0.00 C ATOM 0 H ILE A 8 -0.650 -5.906 6.575 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.411 -5.306 6.425 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.763 -7.026 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.084 -4.023 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.600 -4.953 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.485 -6.268 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.231 -7.165 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.327 -5.388 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.864 -3.811 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.915 -5.576 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.422 -4.631 2.373 1.00 0.00 H new ATOM 189 N ALA A 9 -2.665 -8.516 6.929 1.00 0.00 N ATOM 190 CA ALA A 9 -3.169 -9.783 7.449 1.00 0.00 C ATOM 191 C ALA A 9 -3.844 -9.641 8.826 1.00 0.00 C ATOM 192 O ALA A 9 -4.944 -10.170 9.017 1.00 0.00 O ATOM 193 CB ALA A 9 -2.012 -10.777 7.494 1.00 0.00 C ATOM 0 H ALA A 9 -1.667 -8.536 6.718 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.951 -10.146 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.368 -11.732 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.614 -10.918 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.227 -10.392 8.145 1.00 0.00 H new ATOM 199 N ARG A 10 -3.242 -8.887 9.766 1.00 0.00 N ATOM 200 CA ARG A 10 -3.777 -8.571 11.107 1.00 0.00 C ATOM 201 C ARG A 10 -5.211 -8.015 11.132 1.00 0.00 C ATOM 202 O ARG A 10 -5.827 -8.065 12.191 1.00 0.00 O ATOM 203 CB ARG A 10 -2.844 -7.595 11.854 1.00 0.00 C ATOM 204 CG ARG A 10 -1.785 -8.260 12.747 1.00 0.00 C ATOM 205 CD ARG A 10 -1.118 -7.167 13.598 1.00 0.00 C ATOM 206 NE ARG A 10 -0.048 -7.692 14.470 1.00 0.00 N ATOM 207 CZ ARG A 10 0.334 -7.202 15.647 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.292 -6.200 16.224 1.00 0.00 N ATOM 209 NH2 ARG A 10 1.370 -7.710 16.275 1.00 0.00 N ATOM 0 H ARG A 10 -2.329 -8.462 9.605 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.820 -9.537 11.611 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.337 -6.969 11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.453 -6.934 12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.246 -9.012 13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.042 -8.773 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.702 -6.404 12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.875 -6.680 14.213 1.00 0.00 H new ATOM 0 HE ARG A 10 0.450 -8.516 14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.098 -5.772 15.769 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.029 -5.850 17.127 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.888 -8.485 15.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.657 -7.329 17.177 1.00 0.00 H new ATOM 223 N MET A 11 -5.775 -7.565 10.002 1.00 0.00 N ATOM 224 CA MET A 11 -7.217 -7.312 9.863 1.00 0.00 C ATOM 225 C MET A 11 -8.079 -8.515 10.291 1.00 0.00 C ATOM 226 O MET A 11 -9.169 -8.317 10.822 1.00 0.00 O ATOM 227 CB MET A 11 -7.538 -6.965 8.398 1.00 0.00 C ATOM 228 CG MET A 11 -7.005 -5.604 7.928 1.00 0.00 C ATOM 229 SD MET A 11 -8.032 -4.183 8.404 1.00 0.00 S ATOM 230 CE MET A 11 -7.039 -3.478 9.743 1.00 0.00 C ATOM 0 H MET A 11 -5.242 -7.365 9.155 1.00 0.00 H new ATOM 0 HA MET A 11 -7.460 -6.481 10.525 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.125 -7.743 7.756 1.00 0.00 H new ATOM 0 HB3 MET A 11 -8.620 -6.982 8.264 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.003 -5.462 8.332 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.912 -5.621 6.842 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.512 -2.565 10.105 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.966 -4.197 10.559 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.040 -3.247 9.373 1.00 0.00 H new ATOM 240 N THR A 12 -7.622 -9.752 10.037 1.00 0.00 N ATOM 241 CA THR A 12 -8.391 -10.988 10.306 1.00 0.00 C ATOM 242 C THR A 12 -7.540 -12.243 10.574 1.00 0.00 C ATOM 243 O THR A 12 -8.107 -13.293 10.873 1.00 0.00 O ATOM 244 CB THR A 12 -9.301 -11.330 9.108 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.495 -11.411 7.964 1.00 0.00 O ATOM 246 CG2 THR A 12 -10.418 -10.333 8.780 1.00 0.00 C ATOM 0 H THR A 12 -6.701 -9.929 9.636 1.00 0.00 H new ATOM 0 HA THR A 12 -8.949 -10.755 11.213 1.00 0.00 H new ATOM 0 HB THR A 12 -9.797 -12.257 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.018 -11.153 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.983 -10.690 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.084 -10.238 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.982 -9.361 8.550 1.00 0.00 H new ATOM 254 N GLY A 13 -6.208 -12.202 10.418 1.00 0.00 N ATOM 255 CA GLY A 13 -5.343 -13.386 10.427 1.00 0.00 C ATOM 256 C GLY A 13 -5.527 -14.251 9.177 1.00 0.00 C ATOM 257 O GLY A 13 -4.602 -14.375 8.376 1.00 0.00 O ATOM 0 H GLY A 13 -5.696 -11.331 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.302 -13.072 10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.557 -13.983 11.314 1.00 0.00 H new ATOM 261 N ILE A 14 -6.720 -14.839 8.996 1.00 0.00 N ATOM 262 CA ILE A 14 -6.991 -15.844 7.954 1.00 0.00 C ATOM 263 C ILE A 14 -6.793 -15.302 6.527 1.00 0.00 C ATOM 264 O ILE A 14 -6.550 -16.080 5.604 1.00 0.00 O ATOM 265 CB ILE A 14 -8.347 -16.584 8.141 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.577 -15.988 7.414 1.00 0.00 C ATOM 267 CG2 ILE A 14 -8.679 -16.870 9.620 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.022 -14.606 7.895 1.00 0.00 C ATOM 0 H ILE A 14 -7.533 -14.628 9.575 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.226 -16.609 8.090 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.154 -17.525 7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.353 -15.928 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.413 -16.679 7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.636 -17.387 9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.899 -17.495 10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.737 -15.930 10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.890 -14.283 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.285 -14.656 8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.209 -13.893 7.756 1.00 0.00 H new ATOM 280 N ARG A 15 -6.823 -13.971 6.335 1.00 0.00 N ATOM 281 CA ARG A 15 -6.424 -13.336 5.077 1.00 0.00 C ATOM 282 C ARG A 15 -4.939 -13.491 4.732 1.00 0.00 C ATOM 283 O ARG A 15 -4.641 -13.368 3.550 1.00 0.00 O ATOM 284 CB ARG A 15 -6.838 -11.851 5.046 1.00 0.00 C ATOM 285 CG ARG A 15 -8.237 -11.529 4.473 1.00 0.00 C ATOM 286 CD ARG A 15 -9.394 -12.495 4.773 1.00 0.00 C ATOM 287 NE ARG A 15 -9.445 -13.625 3.819 1.00 0.00 N ATOM 288 CZ ARG A 15 -10.397 -14.545 3.718 1.00 0.00 C ATOM 289 NH1 ARG A 15 -11.446 -14.540 4.506 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.326 -15.479 2.798 1.00 0.00 N ATOM 0 H ARG A 15 -7.125 -13.310 7.051 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.965 -13.878 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.791 -11.464 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.098 -11.304 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.525 -10.543 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.142 -11.453 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.287 -12.883 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.337 -11.950 4.738 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.664 -13.706 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.545 -13.817 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.162 -15.259 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.535 -15.502 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.062 -16.182 2.727 1.00 0.00 H new ATOM 304 N GLU A 16 -4.011 -13.819 5.645 1.00 0.00 N ATOM 305 CA GLU A 16 -2.590 -13.940 5.258 1.00 0.00 C ATOM 306 C GLU A 16 -2.399 -14.962 4.129 1.00 0.00 C ATOM 307 O GLU A 16 -1.738 -14.668 3.132 1.00 0.00 O ATOM 308 CB GLU A 16 -1.673 -14.255 6.458 1.00 0.00 C ATOM 309 CG GLU A 16 -0.238 -13.774 6.172 1.00 0.00 C ATOM 310 CD GLU A 16 0.600 -13.580 7.447 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.924 -14.605 8.085 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.924 -12.408 7.759 1.00 0.00 O ATOM 0 H GLU A 16 -4.206 -14.001 6.629 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.289 -12.963 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.056 -13.768 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.673 -15.327 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.259 -14.497 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.279 -12.832 5.625 1.00 0.00 H new ATOM 319 N ALA A 17 -3.094 -16.101 4.242 1.00 0.00 N ATOM 320 CA ALA A 17 -3.160 -17.162 3.243 1.00 0.00 C ATOM 321 C ALA A 17 -3.714 -16.706 1.884 1.00 0.00 C ATOM 322 O ALA A 17 -3.313 -17.285 0.868 1.00 0.00 O ATOM 323 CB ALA A 17 -4.022 -18.295 3.809 1.00 0.00 C ATOM 0 H ALA A 17 -3.649 -16.312 5.072 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.140 -17.492 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.087 -19.102 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.571 -18.671 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.022 -17.919 4.024 1.00 0.00 H new ATOM 329 N THR A 18 -4.597 -15.691 1.854 1.00 0.00 N ATOM 330 CA THR A 18 -5.140 -15.125 0.613 1.00 0.00 C ATOM 331 C THR A 18 -4.242 -14.023 0.058 1.00 0.00 C ATOM 332 O THR A 18 -4.015 -14.010 -1.143 1.00 0.00 O ATOM 333 CB THR A 18 -6.615 -14.681 0.741 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.213 -14.813 -0.523 1.00 0.00 O ATOM 335 CG2 THR A 18 -6.914 -13.242 1.183 1.00 0.00 C ATOM 0 H THR A 18 -4.954 -15.240 2.697 1.00 0.00 H new ATOM 0 HA THR A 18 -5.145 -15.933 -0.118 1.00 0.00 H new ATOM 0 HB THR A 18 -6.998 -15.319 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.047 -14.003 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.993 -13.090 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.486 -13.068 2.170 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.476 -12.544 0.470 1.00 0.00 H new ATOM 343 N LEU A 19 -3.684 -13.149 0.905 1.00 0.00 N ATOM 344 CA LEU A 19 -2.781 -12.060 0.514 1.00 0.00 C ATOM 345 C LEU A 19 -1.526 -12.620 -0.171 1.00 0.00 C ATOM 346 O LEU A 19 -1.223 -12.260 -1.311 1.00 0.00 O ATOM 347 CB LEU A 19 -2.420 -11.221 1.761 1.00 0.00 C ATOM 348 CG LEU A 19 -3.615 -10.488 2.400 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.292 -10.008 3.811 1.00 0.00 C ATOM 350 CD2 LEU A 19 -4.036 -9.275 1.586 1.00 0.00 C ATOM 0 H LEU A 19 -3.853 -13.181 1.910 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.281 -11.412 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.969 -11.876 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.664 -10.486 1.484 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.426 -11.215 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.159 -9.496 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.039 -10.863 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.446 -9.321 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.881 -8.787 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.203 -8.575 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.326 -9.592 0.584 1.00 0.00 H new ATOM 362 N ARG A 20 -0.836 -13.561 0.493 1.00 0.00 N ATOM 363 CA ARG A 20 0.337 -14.255 -0.063 1.00 0.00 C ATOM 364 C ARG A 20 0.013 -15.053 -1.332 1.00 0.00 C ATOM 365 O ARG A 20 0.889 -15.241 -2.170 1.00 0.00 O ATOM 366 CB ARG A 20 0.995 -15.132 1.021 1.00 0.00 C ATOM 367 CG ARG A 20 0.165 -16.370 1.409 1.00 0.00 C ATOM 368 CD ARG A 20 0.459 -17.615 0.560 1.00 0.00 C ATOM 369 NE ARG A 20 -0.749 -18.446 0.433 1.00 0.00 N ATOM 370 CZ ARG A 20 -0.817 -19.717 0.063 1.00 0.00 C ATOM 371 NH1 ARG A 20 0.254 -20.402 -0.281 1.00 0.00 N ATOM 372 NH2 ARG A 20 -1.985 -20.315 0.032 1.00 0.00 N ATOM 0 H ARG A 20 -1.078 -13.864 1.437 1.00 0.00 H new ATOM 0 HA ARG A 20 1.053 -13.494 -0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.973 -15.458 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.164 -14.526 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.352 -16.606 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.894 -16.126 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.807 -17.315 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.260 -18.195 1.018 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.635 -17.992 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.171 -19.956 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.166 -21.379 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.828 -19.802 0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.050 -21.293 -0.251 1.00 0.00 H new ATOM 386 N ALA A 21 -1.228 -15.537 -1.479 1.00 0.00 N ATOM 387 CA ALA A 21 -1.680 -16.175 -2.710 1.00 0.00 C ATOM 388 C ALA A 21 -1.874 -15.125 -3.810 1.00 0.00 C ATOM 389 O ALA A 21 -1.306 -15.276 -4.889 1.00 0.00 O ATOM 390 CB ALA A 21 -2.954 -16.991 -2.456 1.00 0.00 C ATOM 0 H ALA A 21 -1.939 -15.495 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.916 -16.872 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.277 -17.460 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.750 -17.761 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.741 -16.332 -2.089 1.00 0.00 H new ATOM 396 N TRP A 22 -2.632 -14.049 -3.541 1.00 0.00 N ATOM 397 CA TRP A 22 -2.901 -12.972 -4.496 1.00 0.00 C ATOM 398 C TRP A 22 -1.629 -12.365 -5.091 1.00 0.00 C ATOM 399 O TRP A 22 -1.645 -12.026 -6.271 1.00 0.00 O ATOM 400 CB TRP A 22 -3.747 -11.856 -3.884 1.00 0.00 C ATOM 401 CG TRP A 22 -5.098 -12.138 -3.300 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.884 -13.218 -3.512 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.857 -11.259 -2.419 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.066 -13.068 -2.810 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.096 -11.881 -2.103 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.620 -9.986 -1.860 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -8.033 -11.288 -1.238 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.563 -9.368 -1.021 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.759 -10.023 -0.692 1.00 0.00 C ATOM 0 H TRP A 22 -3.081 -13.905 -2.636 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.461 -13.447 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.149 -11.399 -3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.886 -11.101 -4.658 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.629 -14.065 -4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.824 -13.751 -2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.694 -9.475 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.953 -11.799 -0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.366 -8.382 -0.627 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.466 -9.557 -0.022 1.00 0.00 H new ATOM 420 N GLU A 23 -0.528 -12.317 -4.330 1.00 0.00 N ATOM 421 CA GLU A 23 0.818 -11.965 -4.805 1.00 0.00 C ATOM 422 C GLU A 23 1.185 -12.689 -6.116 1.00 0.00 C ATOM 423 O GLU A 23 1.637 -12.046 -7.061 1.00 0.00 O ATOM 424 CB GLU A 23 1.829 -12.260 -3.678 1.00 0.00 C ATOM 425 CG GLU A 23 3.015 -11.289 -3.631 1.00 0.00 C ATOM 426 CD GLU A 23 4.034 -11.473 -4.770 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.427 -12.635 -5.012 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.432 -10.429 -5.335 1.00 0.00 O ATOM 0 H GLU A 23 -0.550 -12.529 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 23 0.844 -10.902 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.309 -12.228 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.208 -13.274 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.634 -10.268 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.529 -11.409 -2.677 1.00 0.00 H new ATOM 435 N ARG A 24 0.896 -14.001 -6.208 1.00 0.00 N ATOM 436 CA ARG A 24 1.099 -14.823 -7.414 1.00 0.00 C ATOM 437 C ARG A 24 -0.169 -15.021 -8.262 1.00 0.00 C ATOM 438 O ARG A 24 -0.059 -15.363 -9.435 1.00 0.00 O ATOM 439 CB ARG A 24 1.711 -16.183 -7.009 1.00 0.00 C ATOM 440 CG ARG A 24 2.928 -16.515 -7.885 1.00 0.00 C ATOM 441 CD ARG A 24 3.506 -17.898 -7.560 1.00 0.00 C ATOM 442 NE ARG A 24 4.749 -18.139 -8.317 1.00 0.00 N ATOM 443 CZ ARG A 24 5.492 -19.239 -8.317 1.00 0.00 C ATOM 444 NH1 ARG A 24 5.166 -20.299 -7.614 1.00 0.00 N ATOM 445 NH2 ARG A 24 6.591 -19.294 -9.035 1.00 0.00 N ATOM 0 H ARG A 24 0.506 -14.530 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 24 1.787 -14.275 -8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.008 -16.156 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.961 -16.968 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.640 -16.480 -8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.697 -15.757 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.706 -17.971 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.774 -18.669 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 24 5.074 -17.374 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.319 -20.293 -7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.760 -21.128 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.875 -18.490 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.160 -20.141 -9.033 1.00 0.00 H new ATOM 459 N ARG A 25 -1.362 -14.835 -7.678 1.00 0.00 N ATOM 460 CA ARG A 25 -2.680 -15.134 -8.276 1.00 0.00 C ATOM 461 C ARG A 25 -3.295 -13.945 -9.036 1.00 0.00 C ATOM 462 O ARG A 25 -4.078 -14.180 -9.950 1.00 0.00 O ATOM 463 CB ARG A 25 -3.605 -15.645 -7.151 1.00 0.00 C ATOM 464 CG ARG A 25 -4.714 -16.643 -7.515 1.00 0.00 C ATOM 465 CD ARG A 25 -5.380 -17.071 -6.189 1.00 0.00 C ATOM 466 NE ARG A 25 -6.360 -18.160 -6.343 1.00 0.00 N ATOM 467 CZ ARG A 25 -7.047 -18.735 -5.357 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.956 -18.321 -4.112 1.00 0.00 N ATOM 469 NH2 ARG A 25 -7.844 -19.749 -5.599 1.00 0.00 N ATOM 0 H ARG A 25 -1.443 -14.456 -6.735 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.552 -15.902 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.977 -16.109 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.077 -14.778 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.443 -16.185 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.301 -17.506 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.606 -17.387 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.876 -16.207 -5.747 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.527 -18.504 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.346 -17.538 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.496 -18.783 -3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.942 -20.105 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.365 -20.181 -4.836 1.00 0.00 H new ATOM 483 N TYR A 26 -2.941 -12.697 -8.679 1.00 0.00 N ATOM 484 CA TYR A 26 -3.432 -11.455 -9.313 1.00 0.00 C ATOM 485 C TYR A 26 -2.418 -10.296 -9.345 1.00 0.00 C ATOM 486 O TYR A 26 -2.479 -9.474 -10.258 1.00 0.00 O ATOM 487 CB TYR A 26 -4.689 -10.940 -8.586 1.00 0.00 C ATOM 488 CG TYR A 26 -5.821 -11.941 -8.497 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.714 -12.101 -9.574 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.941 -12.751 -7.354 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.718 -13.086 -9.516 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.915 -13.763 -7.309 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.811 -13.927 -8.389 1.00 0.00 C ATOM 494 OH TYR A 26 -8.785 -14.877 -8.329 1.00 0.00 O ATOM 0 H TYR A 26 -2.286 -12.517 -7.918 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.637 -11.744 -10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.410 -10.636 -7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.050 -10.048 -9.099 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.629 -11.468 -10.445 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.285 -12.595 -6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.415 -13.197 -10.333 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.979 -14.415 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.708 -15.371 -7.486 1.00 0.00 H new ATOM 504 N GLY A 27 -1.526 -10.188 -8.349 1.00 0.00 N ATOM 505 CA GLY A 27 -0.597 -9.067 -8.175 1.00 0.00 C ATOM 506 C GLY A 27 -1.104 -7.941 -7.258 1.00 0.00 C ATOM 507 O GLY A 27 -0.460 -6.898 -7.200 1.00 0.00 O ATOM 0 H GLY A 27 -1.430 -10.899 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.340 -9.450 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.373 -8.645 -9.155 1.00 0.00 H new ATOM 511 N PHE A 28 -2.229 -8.129 -6.552 1.00 0.00 N ATOM 512 CA PHE A 28 -2.820 -7.162 -5.613 1.00 0.00 C ATOM 513 C PHE A 28 -2.894 -7.758 -4.193 1.00 0.00 C ATOM 514 O PHE A 28 -3.356 -8.886 -4.061 1.00 0.00 O ATOM 515 CB PHE A 28 -4.232 -6.777 -6.082 1.00 0.00 C ATOM 516 CG PHE A 28 -5.072 -6.021 -5.059 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.843 -6.729 -4.113 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.107 -4.614 -5.056 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.692 -6.047 -3.225 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.943 -3.929 -4.156 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.753 -4.644 -3.258 1.00 0.00 C ATOM 0 H PHE A 28 -2.772 -8.989 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.188 -6.275 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.145 -6.166 -6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.764 -7.685 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.780 -7.806 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.490 -4.059 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.295 -6.599 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.962 -2.849 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.421 -4.116 -2.594 1.00 0.00 H new ATOM 531 N PRO A 29 -2.522 -7.021 -3.129 1.00 0.00 N ATOM 532 CA PRO A 29 -1.757 -5.784 -3.201 1.00 0.00 C ATOM 533 C PRO A 29 -0.345 -6.076 -3.711 1.00 0.00 C ATOM 534 O PRO A 29 0.194 -7.164 -3.488 1.00 0.00 O ATOM 535 CB PRO A 29 -1.731 -5.241 -1.780 1.00 0.00 C ATOM 536 CG PRO A 29 -1.808 -6.506 -0.917 1.00 0.00 C ATOM 537 CD PRO A 29 -2.673 -7.454 -1.747 1.00 0.00 C ATOM 0 HA PRO A 29 -2.196 -5.061 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.821 -4.674 -1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.571 -4.572 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.819 -6.925 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.256 -6.302 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.350 -8.488 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.716 -7.407 -1.434 1.00 0.00 H new ATOM 545 N ARG A 30 0.267 -5.098 -4.378 1.00 0.00 N ATOM 546 CA ARG A 30 1.564 -5.259 -5.028 1.00 0.00 C ATOM 547 C ARG A 30 2.700 -4.844 -4.080 1.00 0.00 C ATOM 548 O ARG A 30 2.812 -3.656 -3.769 1.00 0.00 O ATOM 549 CB ARG A 30 1.573 -4.469 -6.341 1.00 0.00 C ATOM 550 CG ARG A 30 2.625 -5.075 -7.279 1.00 0.00 C ATOM 551 CD ARG A 30 2.645 -4.376 -8.639 1.00 0.00 C ATOM 552 NE ARG A 30 3.141 -2.992 -8.526 1.00 0.00 N ATOM 553 CZ ARG A 30 3.657 -2.248 -9.495 1.00 0.00 C ATOM 554 NH1 ARG A 30 3.751 -2.690 -10.728 1.00 0.00 N ATOM 555 NH2 ARG A 30 4.094 -1.038 -9.236 1.00 0.00 N ATOM 0 H ARG A 30 -0.129 -4.164 -4.482 1.00 0.00 H new ATOM 0 HA ARG A 30 1.732 -6.309 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.588 -4.502 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.799 -3.420 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.610 -5.000 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.419 -6.136 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.278 -4.936 -9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.640 -4.371 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 30 3.081 -2.561 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.423 -3.627 -10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.152 -2.096 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.037 -0.667 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.490 -0.468 -9.983 1.00 0.00 H new ATOM 569 N PRO A 31 3.532 -5.783 -3.582 1.00 0.00 N ATOM 570 CA PRO A 31 4.573 -5.476 -2.604 1.00 0.00 C ATOM 571 C PRO A 31 5.675 -4.625 -3.243 1.00 0.00 C ATOM 572 O PRO A 31 6.528 -5.144 -3.972 1.00 0.00 O ATOM 573 CB PRO A 31 5.064 -6.834 -2.092 1.00 0.00 C ATOM 574 CG PRO A 31 4.770 -7.797 -3.238 1.00 0.00 C ATOM 575 CD PRO A 31 3.503 -7.216 -3.856 1.00 0.00 C ATOM 0 HA PRO A 31 4.210 -4.876 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.128 -6.809 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.542 -7.128 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.590 -7.833 -3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.615 -8.815 -2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.472 -7.406 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.614 -7.676 -3.425 1.00 0.00 H new ATOM 583 N LEU A 32 5.638 -3.308 -2.997 1.00 0.00 N ATOM 584 CA LEU A 32 6.610 -2.367 -3.551 1.00 0.00 C ATOM 585 C LEU A 32 8.028 -2.688 -3.072 1.00 0.00 C ATOM 586 O LEU A 32 8.250 -3.075 -1.923 1.00 0.00 O ATOM 587 CB LEU A 32 6.243 -0.894 -3.281 1.00 0.00 C ATOM 588 CG LEU A 32 5.902 -0.533 -1.818 1.00 0.00 C ATOM 589 CD1 LEU A 32 6.606 0.750 -1.372 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.393 -0.316 -1.671 1.00 0.00 C ATOM 0 H LEU A 32 4.931 -2.869 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 32 6.581 -2.494 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.076 -0.269 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.389 -0.634 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 32 6.240 -1.362 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.341 0.970 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.685 0.619 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.294 1.577 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.161 -0.062 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.077 0.497 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.865 -1.229 -1.947 1.00 0.00 H new ATOM 602 N ARG A 33 8.981 -2.527 -3.997 1.00 0.00 N ATOM 603 CA ARG A 33 10.405 -2.752 -3.763 1.00 0.00 C ATOM 604 C ARG A 33 10.980 -1.813 -2.692 1.00 0.00 C ATOM 605 O ARG A 33 10.404 -0.775 -2.371 1.00 0.00 O ATOM 606 CB ARG A 33 11.180 -2.627 -5.085 1.00 0.00 C ATOM 607 CG ARG A 33 11.144 -1.205 -5.688 1.00 0.00 C ATOM 608 CD ARG A 33 12.348 -0.953 -6.601 1.00 0.00 C ATOM 609 NE ARG A 33 13.605 -0.932 -5.823 1.00 0.00 N ATOM 610 CZ ARG A 33 14.844 -0.884 -6.285 1.00 0.00 C ATOM 611 NH1 ARG A 33 15.093 -0.792 -7.577 1.00 0.00 N ATOM 612 NH2 ARG A 33 15.842 -0.940 -5.432 1.00 0.00 N ATOM 0 H ARG A 33 8.775 -2.229 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 33 10.521 -3.765 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.218 -2.916 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.766 -3.330 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.222 -1.072 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.134 -0.468 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.400 -1.730 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.222 -0.004 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 33 13.505 -0.958 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.322 -0.756 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.057 -0.756 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.655 -1.019 -4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.804 -0.904 -5.769 1.00 0.00 H new ATOM 626 N SER A 34 12.182 -2.163 -2.242 1.00 0.00 N ATOM 627 CA SER A 34 12.874 -1.526 -1.124 1.00 0.00 C ATOM 628 C SER A 34 14.375 -1.329 -1.417 1.00 0.00 C ATOM 629 O SER A 34 14.825 -1.410 -2.571 1.00 0.00 O ATOM 630 CB SER A 34 12.609 -2.356 0.149 1.00 0.00 C ATOM 631 OG SER A 34 11.234 -2.329 0.475 1.00 0.00 O ATOM 0 H SER A 34 12.719 -2.923 -2.659 1.00 0.00 H new ATOM 0 HA SER A 34 12.484 -0.520 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.933 -3.385 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.194 -1.959 0.978 1.00 0.00 H new ATOM 0 HG SER A 34 11.127 -2.098 1.421 1.00 0.00 H new ATOM 637 N GLU A 35 15.113 -1.010 -0.346 1.00 0.00 N ATOM 638 CA GLU A 35 16.570 -0.960 -0.221 1.00 0.00 C ATOM 639 C GLU A 35 17.159 -2.362 0.056 1.00 0.00 C ATOM 640 O GLU A 35 17.603 -3.006 -0.894 1.00 0.00 O ATOM 641 CB GLU A 35 16.994 0.132 0.796 1.00 0.00 C ATOM 642 CG GLU A 35 16.176 0.315 2.098 1.00 0.00 C ATOM 643 CD GLU A 35 16.878 -0.257 3.333 1.00 0.00 C ATOM 644 OE1 GLU A 35 16.629 -1.452 3.588 1.00 0.00 O ATOM 645 OE2 GLU A 35 17.647 0.456 4.004 1.00 0.00 O ATOM 0 H GLU A 35 14.661 -0.758 0.533 1.00 0.00 H new ATOM 0 HA GLU A 35 17.004 -0.658 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.026 -0.071 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.992 1.087 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.986 1.377 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.206 -0.169 1.982 1.00 0.00 H new ATOM 652 N GLY A 36 17.162 -2.850 1.307 1.00 0.00 N ATOM 653 CA GLY A 36 17.765 -4.135 1.687 1.00 0.00 C ATOM 654 C GLY A 36 17.343 -4.704 3.058 1.00 0.00 C ATOM 655 O GLY A 36 16.964 -5.870 3.130 1.00 0.00 O ATOM 0 H GLY A 36 16.740 -2.355 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.519 -4.870 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 36 18.849 -4.020 1.682 1.00 0.00 H new ATOM 659 N ASN A 37 17.406 -3.915 4.140 1.00 0.00 N ATOM 660 CA ASN A 37 16.893 -4.267 5.473 1.00 0.00 C ATOM 661 C ASN A 37 15.373 -4.062 5.563 1.00 0.00 C ATOM 662 O ASN A 37 14.680 -4.844 6.211 1.00 0.00 O ATOM 663 CB ASN A 37 17.575 -3.404 6.556 1.00 0.00 C ATOM 664 CG ASN A 37 19.073 -3.650 6.679 1.00 0.00 C ATOM 665 OD1 ASN A 37 19.554 -4.765 6.565 1.00 0.00 O ATOM 666 ND2 ASN A 37 19.853 -2.622 6.957 1.00 0.00 N ATOM 0 H ASN A 37 17.828 -2.987 4.112 1.00 0.00 H new ATOM 0 HA ASN A 37 17.118 -5.321 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.406 -2.351 6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.103 -3.603 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.856 -2.761 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.452 -1.689 7.053 1.00 0.00 H new ATOM 673 N ASN A 38 14.844 -3.018 4.916 1.00 0.00 N ATOM 674 CA ASN A 38 13.413 -2.821 4.742 1.00 0.00 C ATOM 675 C ASN A 38 12.837 -3.949 3.878 1.00 0.00 C ATOM 676 O ASN A 38 13.092 -4.023 2.676 1.00 0.00 O ATOM 677 CB ASN A 38 13.124 -1.434 4.148 1.00 0.00 C ATOM 678 CG ASN A 38 11.641 -1.242 3.851 1.00 0.00 C ATOM 679 OD1 ASN A 38 11.229 -1.109 2.708 1.00 0.00 O ATOM 680 ND2 ASN A 38 10.794 -1.245 4.860 1.00 0.00 N ATOM 0 H ASN A 38 15.410 -2.281 4.496 1.00 0.00 H new ATOM 0 HA ASN A 38 12.922 -2.858 5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.458 -0.664 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.698 -1.305 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.795 -1.136 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.138 -1.356 5.814 1.00 0.00 H new ATOM 687 N TYR A 39 12.057 -4.827 4.511 1.00 0.00 N ATOM 688 CA TYR A 39 11.298 -5.886 3.851 1.00 0.00 C ATOM 689 C TYR A 39 10.258 -5.314 2.875 1.00 0.00 C ATOM 690 O TYR A 39 9.953 -4.120 2.889 1.00 0.00 O ATOM 691 CB TYR A 39 10.604 -6.756 4.916 1.00 0.00 C ATOM 692 CG TYR A 39 11.398 -6.947 6.198 1.00 0.00 C ATOM 693 CD1 TYR A 39 12.663 -7.565 6.159 1.00 0.00 C ATOM 694 CD2 TYR A 39 10.909 -6.419 7.409 1.00 0.00 C ATOM 695 CE1 TYR A 39 13.446 -7.646 7.325 1.00 0.00 C ATOM 696 CE2 TYR A 39 11.685 -6.504 8.579 1.00 0.00 C ATOM 697 CZ TYR A 39 12.960 -7.108 8.538 1.00 0.00 C ATOM 698 OH TYR A 39 13.720 -7.155 9.664 1.00 0.00 O ATOM 0 H TYR A 39 11.934 -4.819 5.524 1.00 0.00 H new ATOM 0 HA TYR A 39 11.992 -6.494 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.643 -6.305 5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.395 -7.735 4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.033 -7.978 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.937 -5.948 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.417 -8.118 7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.305 -6.107 9.509 1.00 0.00 H new ATOM 0 HH TYR A 39 13.232 -6.739 10.405 1.00 0.00 H new ATOM 708 N ARG A 40 9.643 -6.193 2.076 1.00 0.00 N ATOM 709 CA ARG A 40 8.500 -5.839 1.233 1.00 0.00 C ATOM 710 C ARG A 40 7.341 -5.275 2.066 1.00 0.00 C ATOM 711 O ARG A 40 6.910 -5.880 3.050 1.00 0.00 O ATOM 712 CB ARG A 40 8.049 -7.061 0.417 1.00 0.00 C ATOM 713 CG ARG A 40 8.879 -7.298 -0.857 1.00 0.00 C ATOM 714 CD ARG A 40 8.881 -6.064 -1.775 1.00 0.00 C ATOM 715 NE ARG A 40 8.862 -6.395 -3.209 1.00 0.00 N ATOM 716 CZ ARG A 40 9.828 -6.912 -3.954 1.00 0.00 C ATOM 717 NH1 ARG A 40 11.017 -7.167 -3.458 1.00 0.00 N ATOM 718 NH2 ARG A 40 9.610 -7.180 -5.219 1.00 0.00 N ATOM 0 H ARG A 40 9.925 -7.170 1.997 1.00 0.00 H new ATOM 0 HA ARG A 40 8.814 -5.055 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.107 -7.948 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.003 -6.935 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.904 -7.548 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.477 -8.154 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.013 -5.447 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.766 -5.464 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 40 7.987 -6.200 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.214 -6.967 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.743 -7.565 -4.053 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.696 -6.990 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.354 -7.578 -5.792 1.00 0.00 H new ATOM 732 N VAL A 41 6.843 -4.112 1.642 1.00 0.00 N ATOM 733 CA VAL A 41 5.789 -3.339 2.311 1.00 0.00 C ATOM 734 C VAL A 41 4.724 -2.860 1.321 1.00 0.00 C ATOM 735 O VAL A 41 4.819 -3.097 0.116 1.00 0.00 O ATOM 736 CB VAL A 41 6.386 -2.167 3.132 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.067 -2.697 4.393 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.355 -1.271 2.350 1.00 0.00 C ATOM 0 H VAL A 41 7.175 -3.663 0.789 1.00 0.00 H new ATOM 0 HA VAL A 41 5.289 -4.005 3.014 1.00 0.00 H new ATOM 0 HB VAL A 41 5.539 -1.533 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.482 -1.864 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.337 -3.225 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.869 -3.381 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.724 -0.478 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.195 -1.868 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.836 -0.829 1.499 1.00 0.00 H new ATOM 748 N TYR A 42 3.694 -2.197 1.855 1.00 0.00 N ATOM 749 CA TYR A 42 2.557 -1.670 1.115 1.00 0.00 C ATOM 750 C TYR A 42 2.248 -0.219 1.488 1.00 0.00 C ATOM 751 O TYR A 42 2.467 0.232 2.618 1.00 0.00 O ATOM 752 CB TYR A 42 1.337 -2.554 1.354 1.00 0.00 C ATOM 753 CG TYR A 42 1.546 -3.992 0.930 1.00 0.00 C ATOM 754 CD1 TYR A 42 1.506 -4.333 -0.435 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.791 -4.983 1.897 1.00 0.00 C ATOM 756 CE1 TYR A 42 1.641 -5.677 -0.822 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.941 -6.322 1.499 1.00 0.00 C ATOM 758 CZ TYR A 42 1.844 -6.680 0.142 1.00 0.00 C ATOM 759 OH TYR A 42 1.918 -7.988 -0.231 1.00 0.00 O ATOM 0 H TYR A 42 3.633 -2.008 2.856 1.00 0.00 H new ATOM 0 HA TYR A 42 2.814 -1.678 0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.081 -2.529 2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.487 -2.142 0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.372 -3.565 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.864 -4.716 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.588 -5.941 -1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.132 -7.083 2.241 1.00 0.00 H new ATOM 0 HH TYR A 42 2.062 -8.546 0.561 1.00 0.00 H new ATOM 769 N SER A 43 1.714 0.497 0.498 1.00 0.00 N ATOM 770 CA SER A 43 1.232 1.867 0.594 1.00 0.00 C ATOM 771 C SER A 43 -0.173 1.918 1.218 1.00 0.00 C ATOM 772 O SER A 43 -0.935 0.951 1.195 1.00 0.00 O ATOM 773 CB SER A 43 1.288 2.501 -0.810 1.00 0.00 C ATOM 774 OG SER A 43 0.707 1.655 -1.788 1.00 0.00 O ATOM 0 H SER A 43 1.602 0.113 -0.440 1.00 0.00 H new ATOM 0 HA SER A 43 1.870 2.447 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.766 3.458 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.325 2.707 -1.076 1.00 0.00 H new ATOM 0 HG SER A 43 0.703 2.112 -2.655 1.00 0.00 H new ATOM 780 N ARG A 44 -0.522 3.078 1.795 1.00 0.00 N ATOM 781 CA ARG A 44 -1.816 3.324 2.456 1.00 0.00 C ATOM 782 C ARG A 44 -3.015 3.189 1.510 1.00 0.00 C ATOM 783 O ARG A 44 -4.035 2.649 1.915 1.00 0.00 O ATOM 784 CB ARG A 44 -1.832 4.678 3.192 1.00 0.00 C ATOM 785 CG ARG A 44 -1.267 5.859 2.380 1.00 0.00 C ATOM 786 CD ARG A 44 0.235 6.094 2.642 1.00 0.00 C ATOM 787 NE ARG A 44 0.459 7.302 3.455 1.00 0.00 N ATOM 788 CZ ARG A 44 0.403 8.560 3.032 1.00 0.00 C ATOM 789 NH1 ARG A 44 0.227 8.863 1.765 1.00 0.00 N ATOM 790 NH2 ARG A 44 0.510 9.548 3.890 1.00 0.00 N ATOM 0 H ARG A 44 0.098 3.888 1.816 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.924 2.535 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.858 4.909 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.259 4.582 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.422 5.672 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.821 6.764 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.656 5.228 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.760 6.191 1.692 1.00 0.00 H new ATOM 0 HE ARG A 44 0.679 7.158 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.129 8.121 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.189 9.840 1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.636 9.350 4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.467 10.514 3.564 1.00 0.00 H new ATOM 804 N GLU A 45 -2.870 3.613 0.252 1.00 0.00 N ATOM 805 CA GLU A 45 -3.791 3.323 -0.861 1.00 0.00 C ATOM 806 C GLU A 45 -4.084 1.817 -0.988 1.00 0.00 C ATOM 807 O GLU A 45 -5.244 1.412 -0.900 1.00 0.00 O ATOM 808 CB GLU A 45 -3.247 3.884 -2.198 1.00 0.00 C ATOM 809 CG GLU A 45 -1.713 3.803 -2.260 1.00 0.00 C ATOM 810 CD GLU A 45 -1.087 3.668 -3.648 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.559 4.324 -4.598 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.076 2.919 -3.681 1.00 0.00 O ATOM 0 H GLU A 45 -2.079 4.190 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.732 3.825 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.676 3.325 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.563 4.921 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.306 4.698 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.393 2.952 -1.658 1.00 0.00 H new ATOM 819 N GLU A 46 -3.044 0.988 -1.166 1.00 0.00 N ATOM 820 CA GLU A 46 -3.182 -0.468 -1.227 1.00 0.00 C ATOM 821 C GLU A 46 -3.813 -1.004 0.059 1.00 0.00 C ATOM 822 O GLU A 46 -4.768 -1.767 -0.018 1.00 0.00 O ATOM 823 CB GLU A 46 -1.824 -1.143 -1.496 1.00 0.00 C ATOM 824 CG GLU A 46 -1.358 -1.018 -2.955 1.00 0.00 C ATOM 825 CD GLU A 46 -2.000 -2.074 -3.867 1.00 0.00 C ATOM 826 OE1 GLU A 46 -3.247 -2.140 -3.906 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.232 -2.839 -4.492 1.00 0.00 O ATOM 0 H GLU A 46 -2.083 1.313 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.844 -0.710 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.071 -0.701 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.893 -2.199 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.602 -0.023 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.273 -1.117 -2.997 1.00 0.00 H new ATOM 834 N VAL A 47 -3.340 -0.585 1.240 1.00 0.00 N ATOM 835 CA VAL A 47 -3.912 -1.006 2.528 1.00 0.00 C ATOM 836 C VAL A 47 -5.405 -0.655 2.629 1.00 0.00 C ATOM 837 O VAL A 47 -6.178 -1.516 3.033 1.00 0.00 O ATOM 838 CB VAL A 47 -3.103 -0.442 3.713 1.00 0.00 C ATOM 839 CG1 VAL A 47 -3.748 -0.777 5.069 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.653 -0.967 3.722 1.00 0.00 C ATOM 0 H VAL A 47 -2.551 0.055 1.331 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.841 -2.092 2.579 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.099 0.639 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.142 -0.359 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.750 -0.351 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.809 -1.859 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.118 -0.545 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.660 -2.054 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.154 -0.674 2.798 1.00 0.00 H new ATOM 850 N GLU A 48 -5.834 0.556 2.250 1.00 0.00 N ATOM 851 CA GLU A 48 -7.246 0.961 2.199 1.00 0.00 C ATOM 852 C GLU A 48 -8.065 0.081 1.246 1.00 0.00 C ATOM 853 O GLU A 48 -9.067 -0.509 1.670 1.00 0.00 O ATOM 854 CB GLU A 48 -7.360 2.454 1.839 1.00 0.00 C ATOM 855 CG GLU A 48 -8.821 2.890 1.641 1.00 0.00 C ATOM 856 CD GLU A 48 -9.011 4.380 1.933 1.00 0.00 C ATOM 857 OE1 GLU A 48 -8.807 5.187 1.000 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.375 4.681 3.092 1.00 0.00 O ATOM 0 H GLU A 48 -5.195 1.298 1.964 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.673 0.815 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.907 3.053 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.796 2.651 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.129 2.678 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.467 2.305 2.296 1.00 0.00 H new ATOM 865 N ALA A 49 -7.630 -0.029 -0.018 1.00 0.00 N ATOM 866 CA ALA A 49 -8.256 -0.903 -1.005 1.00 0.00 C ATOM 867 C ALA A 49 -8.380 -2.331 -0.461 1.00 0.00 C ATOM 868 O ALA A 49 -9.481 -2.875 -0.400 1.00 0.00 O ATOM 869 CB ALA A 49 -7.465 -0.853 -2.319 1.00 0.00 C ATOM 0 H ALA A 49 -6.830 0.491 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.267 -0.552 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.936 -1.507 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.454 0.169 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.442 -1.185 -2.141 1.00 0.00 H new ATOM 875 N VAL A 50 -7.272 -2.929 -0.009 1.00 0.00 N ATOM 876 CA VAL A 50 -7.247 -4.288 0.533 1.00 0.00 C ATOM 877 C VAL A 50 -8.113 -4.424 1.774 1.00 0.00 C ATOM 878 O VAL A 50 -8.831 -5.408 1.871 1.00 0.00 O ATOM 879 CB VAL A 50 -5.828 -4.762 0.856 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.860 -6.182 1.435 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.947 -4.835 -0.384 1.00 0.00 C ATOM 0 H VAL A 50 -6.358 -2.476 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.654 -4.922 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.425 -4.037 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.844 -6.506 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.454 -6.189 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.305 -6.861 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.951 -5.176 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.382 -5.534 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.877 -3.847 -0.839 1.00 0.00 H new ATOM 891 N ARG A 51 -8.085 -3.478 2.717 1.00 0.00 N ATOM 892 CA ARG A 51 -8.940 -3.496 3.910 1.00 0.00 C ATOM 893 C ARG A 51 -10.421 -3.564 3.522 1.00 0.00 C ATOM 894 O ARG A 51 -11.163 -4.353 4.109 1.00 0.00 O ATOM 895 CB ARG A 51 -8.569 -2.297 4.800 1.00 0.00 C ATOM 896 CG ARG A 51 -9.452 -2.136 6.041 1.00 0.00 C ATOM 897 CD ARG A 51 -10.598 -1.151 5.799 1.00 0.00 C ATOM 898 NE ARG A 51 -11.480 -1.084 6.975 1.00 0.00 N ATOM 899 CZ ARG A 51 -12.263 -0.073 7.324 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.336 1.030 6.616 1.00 0.00 N ATOM 901 NH2 ARG A 51 -12.996 -0.156 8.411 1.00 0.00 N ATOM 0 H ARG A 51 -7.463 -2.671 2.675 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.768 -4.397 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.532 -2.403 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.629 -1.386 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.860 -3.106 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.845 -1.789 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.195 -0.162 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.171 -1.459 4.925 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.490 -1.901 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.779 1.129 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.950 1.788 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.962 -0.998 8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.599 0.622 8.680 1.00 0.00 H new ATOM 915 N ARG A 52 -10.840 -2.793 2.507 1.00 0.00 N ATOM 916 CA ARG A 52 -12.153 -2.947 1.865 1.00 0.00 C ATOM 917 C ARG A 52 -12.329 -4.342 1.255 1.00 0.00 C ATOM 918 O ARG A 52 -13.230 -5.059 1.685 1.00 0.00 O ATOM 919 CB ARG A 52 -12.386 -1.833 0.830 1.00 0.00 C ATOM 920 CG ARG A 52 -13.048 -0.609 1.471 1.00 0.00 C ATOM 921 CD ARG A 52 -13.235 0.503 0.430 1.00 0.00 C ATOM 922 NE ARG A 52 -14.295 1.449 0.828 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.603 1.293 0.643 1.00 0.00 C ATOM 924 NH1 ARG A 52 -16.098 0.233 0.046 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.448 2.203 1.066 1.00 0.00 N ATOM 0 H ARG A 52 -10.276 -2.043 2.108 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.916 -2.848 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.435 -1.543 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.015 -2.209 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.014 -0.888 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.434 -0.245 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.296 1.042 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.485 0.061 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.995 2.307 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.474 -0.500 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.106 0.143 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.103 3.038 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.450 2.076 0.920 1.00 0.00 H new ATOM 939 N VAL A 53 -11.481 -4.730 0.293 1.00 0.00 N ATOM 940 CA VAL A 53 -11.526 -6.023 -0.417 1.00 0.00 C ATOM 941 C VAL A 53 -11.613 -7.207 0.562 1.00 0.00 C ATOM 942 O VAL A 53 -12.556 -7.983 0.491 1.00 0.00 O ATOM 943 CB VAL A 53 -10.350 -6.138 -1.423 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.245 -7.526 -2.061 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.471 -5.100 -2.556 1.00 0.00 C ATOM 0 H VAL A 53 -10.717 -4.134 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.443 -6.064 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.452 -5.952 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.405 -7.545 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.090 -8.273 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.166 -7.749 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.631 -5.210 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.404 -5.259 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.464 -4.096 -2.132 1.00 0.00 H new ATOM 955 N ALA A 54 -10.694 -7.316 1.524 1.00 0.00 N ATOM 956 CA ALA A 54 -10.649 -8.313 2.593 1.00 0.00 C ATOM 957 C ALA A 54 -11.947 -8.404 3.410 1.00 0.00 C ATOM 958 O ALA A 54 -12.409 -9.515 3.681 1.00 0.00 O ATOM 959 CB ALA A 54 -9.466 -7.973 3.508 1.00 0.00 C ATOM 0 H ALA A 54 -9.910 -6.666 1.579 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.528 -9.293 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.409 -8.703 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.541 -7.997 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.605 -6.977 3.928 1.00 0.00 H new ATOM 965 N ARG A 55 -12.544 -7.264 3.795 1.00 0.00 N ATOM 966 CA ARG A 55 -13.852 -7.258 4.465 1.00 0.00 C ATOM 967 C ARG A 55 -14.965 -7.718 3.513 1.00 0.00 C ATOM 968 O ARG A 55 -15.802 -8.519 3.911 1.00 0.00 O ATOM 969 CB ARG A 55 -14.153 -5.872 5.058 1.00 0.00 C ATOM 970 CG ARG A 55 -15.291 -5.968 6.092 1.00 0.00 C ATOM 971 CD ARG A 55 -16.017 -4.634 6.309 1.00 0.00 C ATOM 972 NE ARG A 55 -15.776 -4.062 7.647 1.00 0.00 N ATOM 973 CZ ARG A 55 -16.476 -3.083 8.211 1.00 0.00 C ATOM 974 NH1 ARG A 55 -17.449 -2.473 7.573 1.00 0.00 N ATOM 975 NH2 ARG A 55 -16.212 -2.699 9.439 1.00 0.00 N ATOM 0 H ARG A 55 -12.142 -6.337 3.654 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.815 -7.971 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.257 -5.468 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.433 -5.182 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.011 -6.718 5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.883 -6.312 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.692 -3.922 5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.088 -4.782 6.170 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.004 -4.452 8.187 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.684 -2.748 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.969 -1.725 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.466 -3.153 9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.753 -1.947 9.866 1.00 0.00 H new ATOM 989 N LEU A 56 -14.954 -7.274 2.254 1.00 0.00 N ATOM 990 CA LEU A 56 -15.884 -7.736 1.218 1.00 0.00 C ATOM 991 C LEU A 56 -15.777 -9.264 0.986 1.00 0.00 C ATOM 992 O LEU A 56 -16.785 -9.955 0.852 1.00 0.00 O ATOM 993 CB LEU A 56 -15.622 -6.940 -0.080 1.00 0.00 C ATOM 994 CG LEU A 56 -16.809 -6.161 -0.679 1.00 0.00 C ATOM 995 CD1 LEU A 56 -18.117 -6.956 -0.727 1.00 0.00 C ATOM 996 CD2 LEU A 56 -17.035 -4.847 0.078 1.00 0.00 C ATOM 0 H LEU A 56 -14.291 -6.575 1.920 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.906 -7.553 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.817 -6.232 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.259 -7.636 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.528 -5.957 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.903 -6.338 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.978 -7.848 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.402 -7.248 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.878 -4.314 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.249 -5.062 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.139 -4.229 0.010 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.557 -9.818 1.009 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.282 -11.261 0.974 1.00 0.00 C ATOM 1010 C ILE A 57 -14.944 -12.024 2.134 1.00 0.00 C ATOM 1011 O ILE A 57 -15.323 -13.175 1.931 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.752 -11.520 0.891 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.258 -11.671 -0.569 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.261 -12.756 1.664 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.577 -10.413 -1.087 1.00 0.00 C ATOM 0 H ILE A 57 -13.707 -9.256 1.054 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.740 -11.660 0.069 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.332 -10.630 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.562 -12.508 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.104 -11.913 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.182 -12.854 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.502 -12.644 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.751 -13.648 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.250 -10.573 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.279 -9.580 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.713 -10.184 -0.463 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.125 -11.419 3.318 1.00 0.00 N ATOM 1028 CA GLN A 58 -15.885 -12.047 4.408 1.00 0.00 C ATOM 1029 C GLN A 58 -17.377 -12.233 4.067 1.00 0.00 C ATOM 1030 O GLN A 58 -18.031 -13.043 4.718 1.00 0.00 O ATOM 1031 CB GLN A 58 -15.701 -11.265 5.731 1.00 0.00 C ATOM 1032 CG GLN A 58 -14.668 -11.892 6.682 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.128 -13.225 7.275 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.258 -13.398 7.697 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -14.266 -14.219 7.367 1.00 0.00 N ATOM 0 H GLN A 58 -14.755 -10.496 3.544 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.476 -13.048 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.396 -10.244 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.662 -11.203 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.733 -12.045 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.459 -11.194 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.313 -14.102 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.552 -15.105 7.783 1.00 0.00 H new ATOM 1044 N GLU A 59 -17.919 -11.552 3.043 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.319 -11.721 2.633 1.00 0.00 C ATOM 1046 C GLU A 59 -19.516 -12.889 1.647 1.00 0.00 C ATOM 1047 O GLU A 59 -20.541 -13.560 1.712 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.889 -10.405 2.064 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.609 -9.198 2.980 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.627 -8.067 2.783 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.398 -7.221 1.892 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -21.614 -8.046 3.553 1.00 0.00 O ATOM 0 H GLU A 59 -17.402 -10.875 2.482 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.880 -11.980 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.456 -10.220 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.965 -10.509 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.627 -9.523 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.606 -8.819 2.782 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.533 -13.168 0.773 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.576 -14.293 -0.185 1.00 0.00 C ATOM 1061 C GLU A 60 -17.199 -14.866 -0.558 1.00 0.00 C ATOM 1062 O GLU A 60 -17.043 -16.082 -0.640 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.264 -13.871 -1.501 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.783 -14.075 -1.503 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.329 -13.933 -2.928 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.139 -14.893 -3.710 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.889 -12.858 -3.234 1.00 0.00 O ATOM 0 H GLU A 60 -17.678 -12.616 0.709 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.137 -15.067 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.049 -12.819 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.830 -14.439 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.026 -15.061 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.257 -13.344 -0.848 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.224 -14.006 -0.875 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.913 -14.401 -1.403 1.00 0.00 C ATOM 1076 C GLY A 61 -14.742 -14.125 -2.904 1.00 0.00 C ATOM 1077 O GLY A 61 -13.631 -13.844 -3.340 1.00 0.00 O ATOM 0 H GLY A 61 -16.326 -12.997 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.135 -13.870 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.763 -15.465 -1.219 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.826 -14.092 -3.693 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.825 -13.625 -5.094 1.00 0.00 C ATOM 1083 C LEU A 62 -15.182 -12.233 -5.238 1.00 0.00 C ATOM 1084 O LEU A 62 -14.463 -11.970 -6.205 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.280 -13.665 -5.607 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.593 -12.840 -6.874 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.815 -13.262 -8.129 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -19.081 -12.973 -7.197 1.00 0.00 C ATOM 0 H LEU A 62 -16.746 -14.394 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.209 -14.283 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.542 -14.704 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.933 -13.318 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.292 -11.819 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.102 -12.626 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.745 -13.160 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.045 -14.301 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.313 -12.394 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.323 -14.021 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.670 -12.599 -6.360 1.00 0.00 H new ATOM 1100 N SER A 63 -15.362 -11.382 -4.220 1.00 0.00 N ATOM 1101 CA SER A 63 -14.715 -10.077 -4.082 1.00 0.00 C ATOM 1102 C SER A 63 -13.186 -10.085 -4.163 1.00 0.00 C ATOM 1103 O SER A 63 -12.629 -9.001 -4.273 1.00 0.00 O ATOM 1104 CB SER A 63 -15.160 -9.400 -2.790 1.00 0.00 C ATOM 1105 OG SER A 63 -16.394 -8.752 -3.008 1.00 0.00 O ATOM 0 H SER A 63 -15.986 -11.594 -3.442 1.00 0.00 H new ATOM 0 HA SER A 63 -15.045 -9.512 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.259 -10.138 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.409 -8.679 -2.466 1.00 0.00 H new ATOM 0 HG SER A 63 -16.295 -7.793 -2.833 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.506 -11.243 -4.192 1.00 0.00 N ATOM 1112 CA VAL A 64 -11.136 -11.332 -4.713 1.00 0.00 C ATOM 1113 C VAL A 64 -11.099 -10.734 -6.123 1.00 0.00 C ATOM 1114 O VAL A 64 -10.673 -9.597 -6.295 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.604 -12.783 -4.695 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.212 -12.860 -5.327 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.451 -13.350 -3.282 1.00 0.00 C ATOM 0 H VAL A 64 -12.885 -12.130 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.474 -10.760 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.344 -13.359 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.858 -13.891 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.262 -12.517 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.523 -12.227 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.074 -14.371 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.750 -12.735 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.420 -13.348 -2.782 1.00 0.00 H new ATOM 1127 N SER A 65 -11.559 -11.476 -7.135 1.00 0.00 N ATOM 1128 CA SER A 65 -11.465 -11.032 -8.525 1.00 0.00 C ATOM 1129 C SER A 65 -12.369 -9.819 -8.774 1.00 0.00 C ATOM 1130 O SER A 65 -11.943 -8.873 -9.430 1.00 0.00 O ATOM 1131 CB SER A 65 -11.786 -12.194 -9.468 1.00 0.00 C ATOM 1132 OG SER A 65 -11.366 -11.883 -10.780 1.00 0.00 O ATOM 0 H SER A 65 -12.000 -12.388 -7.015 1.00 0.00 H new ATOM 0 HA SER A 65 -10.444 -10.711 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.288 -13.101 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.857 -12.395 -9.459 1.00 0.00 H new ATOM 0 HG SER A 65 -11.574 -12.632 -11.376 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.577 -9.806 -8.186 1.00 0.00 N ATOM 1139 CA GLU A 66 -14.533 -8.699 -8.304 1.00 0.00 C ATOM 1140 C GLU A 66 -13.974 -7.371 -7.772 1.00 0.00 C ATOM 1141 O GLU A 66 -13.812 -6.431 -8.549 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.872 -9.069 -7.631 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.967 -9.447 -8.639 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.662 -8.215 -9.231 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -16.946 -7.247 -9.580 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.909 -8.218 -9.276 1.00 0.00 O ATOM 0 H GLU A 66 -13.918 -10.575 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.715 -8.540 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.711 -9.903 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.215 -8.227 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.529 -10.036 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.707 -10.079 -8.148 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.656 -7.260 -6.473 1.00 0.00 N ATOM 1154 CA ALA A 67 -13.242 -5.970 -5.926 1.00 0.00 C ATOM 1155 C ALA A 67 -11.846 -5.545 -6.422 1.00 0.00 C ATOM 1156 O ALA A 67 -11.595 -4.344 -6.542 1.00 0.00 O ATOM 1157 CB ALA A 67 -13.367 -5.963 -4.400 1.00 0.00 C ATOM 0 H ALA A 67 -13.678 -8.028 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.925 -5.209 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -13.054 -4.993 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.404 -6.148 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.733 -6.743 -3.979 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.972 -6.498 -6.798 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.747 -6.199 -7.556 1.00 0.00 C ATOM 1165 C ILE A 68 -10.103 -5.586 -8.918 1.00 0.00 C ATOM 1166 O ILE A 68 -9.630 -4.492 -9.215 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.809 -7.427 -7.675 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -8.247 -7.778 -6.278 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.638 -7.127 -8.633 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -7.502 -9.121 -6.195 1.00 0.00 C ATOM 0 H ILE A 68 -11.095 -7.488 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.176 -5.457 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.380 -8.266 -8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.569 -6.984 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.071 -7.792 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.991 -8.002 -8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.029 -6.885 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.065 -6.281 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.146 -9.277 -5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.178 -9.930 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.653 -9.109 -6.878 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.933 -6.240 -9.743 1.00 0.00 N ATOM 1183 CA ALA A 69 -11.360 -5.708 -11.042 1.00 0.00 C ATOM 1184 C ALA A 69 -12.017 -4.322 -10.920 1.00 0.00 C ATOM 1185 O ALA A 69 -11.695 -3.421 -11.697 1.00 0.00 O ATOM 1186 CB ALA A 69 -12.290 -6.716 -11.725 1.00 0.00 C ATOM 0 H ALA A 69 -11.327 -7.155 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.474 -5.565 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.608 -6.322 -12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.760 -7.657 -11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.164 -6.887 -11.097 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.879 -4.133 -9.913 1.00 0.00 N ATOM 1193 CA GLN A 70 -13.457 -2.838 -9.553 1.00 0.00 C ATOM 1194 C GLN A 70 -12.365 -1.799 -9.270 1.00 0.00 C ATOM 1195 O GLN A 70 -12.281 -0.825 -10.010 1.00 0.00 O ATOM 1196 CB GLN A 70 -14.437 -2.985 -8.381 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.706 -3.758 -8.788 1.00 0.00 C ATOM 1198 CD GLN A 70 -16.522 -4.222 -7.585 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -16.607 -3.566 -6.557 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -17.156 -5.374 -7.667 1.00 0.00 N ATOM 0 H GLN A 70 -13.199 -4.895 -9.315 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.026 -2.469 -10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.944 -3.503 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.715 -1.997 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.327 -3.123 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.423 -4.624 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.093 -5.931 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.710 -5.709 -6.878 1.00 0.00 H new ATOM 1209 N VAL A 71 -11.490 -1.988 -8.269 1.00 0.00 N ATOM 1210 CA VAL A 71 -10.448 -0.985 -7.961 1.00 0.00 C ATOM 1211 C VAL A 71 -9.388 -0.834 -9.073 1.00 0.00 C ATOM 1212 O VAL A 71 -8.757 0.214 -9.179 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.834 -1.233 -6.566 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.740 -2.307 -6.558 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -9.278 0.064 -5.964 1.00 0.00 C ATOM 0 H VAL A 71 -11.479 -2.811 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.945 -0.015 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.656 -1.603 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.355 -2.427 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.157 -3.253 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.929 -2.005 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.853 -0.144 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.503 0.466 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.082 0.793 -5.864 1.00 0.00 H new ATOM 1225 N LYS A 72 -9.221 -1.834 -9.952 1.00 0.00 N ATOM 1226 CA LYS A 72 -8.442 -1.723 -11.195 1.00 0.00 C ATOM 1227 C LYS A 72 -9.103 -0.791 -12.215 1.00 0.00 C ATOM 1228 O LYS A 72 -8.400 0.021 -12.811 1.00 0.00 O ATOM 1229 CB LYS A 72 -8.216 -3.109 -11.820 1.00 0.00 C ATOM 1230 CG LYS A 72 -7.167 -3.954 -11.071 1.00 0.00 C ATOM 1231 CD LYS A 72 -5.904 -4.205 -11.905 1.00 0.00 C ATOM 1232 CE LYS A 72 -6.202 -5.184 -13.048 1.00 0.00 C ATOM 1233 NZ LYS A 72 -5.029 -5.354 -13.935 1.00 0.00 N ATOM 0 H LYS A 72 -9.631 -2.758 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.480 -1.287 -10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.162 -3.650 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.900 -2.985 -12.856 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.892 -3.448 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.609 -4.910 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.536 -3.263 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.115 -4.608 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.490 -6.151 -12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.049 -4.820 -13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.264 -6.022 -14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.770 -4.435 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.228 -5.725 -13.384 1.00 0.00 H new ATOM 1247 N THR A 73 -10.417 -0.916 -12.450 1.00 0.00 N ATOM 1248 CA THR A 73 -11.149 -0.025 -13.373 1.00 0.00 C ATOM 1249 C THR A 73 -11.509 1.334 -12.735 1.00 0.00 C ATOM 1250 O THR A 73 -11.673 2.323 -13.446 1.00 0.00 O ATOM 1251 CB THR A 73 -12.353 -0.753 -14.008 1.00 0.00 C ATOM 1252 OG1 THR A 73 -12.710 -0.123 -15.211 1.00 0.00 O ATOM 1253 CG2 THR A 73 -13.623 -0.821 -13.161 1.00 0.00 C ATOM 0 H THR A 73 -11.001 -1.629 -12.013 1.00 0.00 H new ATOM 0 HA THR A 73 -10.474 0.229 -14.190 1.00 0.00 H new ATOM 0 HB THR A 73 -11.997 -1.775 -14.135 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.473 -0.590 -15.611 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.399 -1.355 -13.710 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.411 -1.346 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.966 0.189 -12.938 1.00 0.00 H new ATOM 1261 N GLU A 74 -11.521 1.420 -11.399 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.710 2.636 -10.597 1.00 0.00 C ATOM 1263 C GLU A 74 -10.460 2.911 -9.729 1.00 0.00 C ATOM 1264 O GLU A 74 -10.513 2.778 -8.504 1.00 0.00 O ATOM 1265 CB GLU A 74 -12.986 2.517 -9.737 1.00 0.00 C ATOM 1266 CG GLU A 74 -14.270 2.348 -10.560 1.00 0.00 C ATOM 1267 CD GLU A 74 -15.499 2.205 -9.655 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -15.897 3.232 -9.060 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -16.032 1.075 -9.577 1.00 0.00 O ATOM 0 H GLU A 74 -11.391 0.594 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.839 3.486 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.882 1.666 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.078 3.407 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.398 3.208 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.182 1.469 -11.198 1.00 0.00 H new ATOM 1276 N PRO A 75 -9.316 3.294 -10.335 1.00 0.00 N ATOM 1277 CA PRO A 75 -8.066 3.504 -9.606 1.00 0.00 C ATOM 1278 C PRO A 75 -8.143 4.734 -8.682 1.00 0.00 C ATOM 1279 O PRO A 75 -8.690 5.764 -9.087 1.00 0.00 O ATOM 1280 CB PRO A 75 -6.994 3.681 -10.688 1.00 0.00 C ATOM 1281 CG PRO A 75 -7.778 4.244 -11.874 1.00 0.00 C ATOM 1282 CD PRO A 75 -9.117 3.521 -11.759 1.00 0.00 C ATOM 0 HA PRO A 75 -7.842 2.665 -8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.207 4.363 -10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.514 2.735 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.894 5.326 -11.807 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.284 4.035 -12.823 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.925 4.122 -12.177 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.103 2.580 -12.308 1.00 0.00 H new ATOM 1290 N PRO A 76 -7.553 4.684 -7.470 1.00 0.00 N ATOM 1291 CA PRO A 76 -7.618 5.789 -6.516 1.00 0.00 C ATOM 1292 C PRO A 76 -6.818 7.006 -7.005 1.00 0.00 C ATOM 1293 O PRO A 76 -5.699 6.876 -7.505 1.00 0.00 O ATOM 1294 CB PRO A 76 -7.078 5.223 -5.199 1.00 0.00 C ATOM 1295 CG PRO A 76 -6.113 4.129 -5.651 1.00 0.00 C ATOM 1296 CD PRO A 76 -6.796 3.574 -6.905 1.00 0.00 C ATOM 0 HA PRO A 76 -8.636 6.159 -6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.571 5.988 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.878 4.821 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.123 4.528 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.984 3.362 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.061 3.200 -7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.452 2.740 -6.656 1.00 0.00 H new ATOM 1304 N ARG A 77 -7.421 8.194 -6.864 1.00 0.00 N ATOM 1305 CA ARG A 77 -6.858 9.514 -7.176 1.00 0.00 C ATOM 1306 C ARG A 77 -7.765 10.608 -6.603 1.00 0.00 C ATOM 1307 O ARG A 77 -8.962 10.617 -6.883 1.00 0.00 O ATOM 1308 CB ARG A 77 -6.637 9.678 -8.696 1.00 0.00 C ATOM 1309 CG ARG A 77 -7.851 9.344 -9.589 1.00 0.00 C ATOM 1310 CD ARG A 77 -7.460 9.220 -11.067 1.00 0.00 C ATOM 1311 NE ARG A 77 -6.566 8.070 -11.304 1.00 0.00 N ATOM 1312 CZ ARG A 77 -6.077 7.673 -12.472 1.00 0.00 C ATOM 1313 NH1 ARG A 77 -6.402 8.273 -13.594 1.00 0.00 N ATOM 1314 NH2 ARG A 77 -5.244 6.659 -12.537 1.00 0.00 N ATOM 0 H ARG A 77 -8.374 8.263 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.878 9.607 -6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.338 10.708 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.804 9.041 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.302 8.410 -9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.607 10.121 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.360 9.112 -11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.966 10.136 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.296 7.524 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.045 9.065 -13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.011 7.947 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.968 6.170 -11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.873 6.361 -13.439 1.00 0.00 H new ATOM 1328 N GLU A 78 -7.192 11.471 -5.760 1.00 0.00 N ATOM 1329 CA GLU A 78 -7.814 12.688 -5.213 1.00 0.00 C ATOM 1330 C GLU A 78 -7.949 13.793 -6.275 1.00 0.00 C ATOM 1331 O GLU A 78 -8.990 14.482 -6.235 1.00 0.00 O ATOM 1332 CB GLU A 78 -6.987 13.181 -4.008 1.00 0.00 C ATOM 1333 CG GLU A 78 -7.093 12.242 -2.792 1.00 0.00 C ATOM 1334 CD GLU A 78 -6.039 12.567 -1.721 1.00 0.00 C ATOM 1335 OE1 GLU A 78 -6.232 13.565 -0.989 1.00 0.00 O ATOM 1336 OE2 GLU A 78 -5.046 11.806 -1.638 1.00 0.00 O ATOM 1337 OXT GLU A 78 -7.020 13.925 -7.107 1.00 0.00 O ATOM 0 H GLU A 78 -6.239 11.338 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.825 12.443 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.941 13.271 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.325 14.177 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.089 12.323 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.971 11.209 -3.119 1.00 0.00 H new TER 1344 GLU A 78