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 26 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 65:sc= 0.284 USER MOD Set 2.1: A 37 ASN : amide:sc= 1.16 K(o=2.8,f=0.64) USER MOD Set 2.2: A 38 ASN : amide:sc= 1.66 K(o=2.8,f=-1.1) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.37) 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 66:sc= 1.29 USER MOD Single : A -2 GLY N :NH3+ 139:sc= 0.0868 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -29:sc= 0.237 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.065 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 9:sc= 1.27 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.16) USER MOD Single : A 63 SER OG : rot 100:sc= -0.193 USER MOD Single : A 70 GLN : amide:sc= -0.644 K(o=-0.64,f=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ -98:sc= -0.38 (180deg=-1.73!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 5.262 19.352 8.662 1.00 0.00 N ATOM 2 CA GLY A -2 5.494 18.301 7.643 1.00 0.00 C ATOM 3 C GLY A -2 5.743 16.947 8.289 1.00 0.00 C ATOM 4 O GLY A -2 6.271 16.963 9.393 1.00 0.00 O ATOM 0 H1 GLY A -2 5.754 20.224 8.380 1.00 0.00 H new ATOM 0 H2 GLY A -2 4.242 19.540 8.741 1.00 0.00 H new ATOM 0 H3 GLY A -2 5.627 19.031 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.630 18.237 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A -2 6.349 18.574 7.025 1.00 0.00 H new ATOM 10 N SER A -1 5.367 15.810 7.660 1.00 0.00 N ATOM 11 CA SER A -1 5.629 14.412 8.099 1.00 0.00 C ATOM 12 C SER A -1 5.048 13.337 7.138 1.00 0.00 C ATOM 13 O SER A -1 4.273 13.696 6.256 1.00 0.00 O ATOM 14 CB SER A -1 5.058 14.179 9.506 1.00 0.00 C ATOM 15 OG SER A -1 5.959 14.681 10.461 1.00 0.00 O ATOM 0 H SER A -1 4.844 15.840 6.785 1.00 0.00 H new ATOM 0 HA SER A -1 6.713 14.299 8.096 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.092 14.673 9.605 1.00 0.00 H new ATOM 0 HB3 SER A -1 4.890 13.115 9.671 1.00 0.00 H new ATOM 0 HG SER A -1 6.019 15.655 10.373 1.00 0.00 H new ATOM 21 N HIS A 0 5.389 12.035 7.309 1.00 0.00 N ATOM 22 CA HIS A 0 4.782 10.866 6.607 1.00 0.00 C ATOM 23 C HIS A 0 4.944 9.525 7.389 1.00 0.00 C ATOM 24 O HIS A 0 5.685 9.493 8.366 1.00 0.00 O ATOM 25 CB HIS A 0 5.344 10.751 5.166 1.00 0.00 C ATOM 26 CG HIS A 0 6.508 9.798 4.963 1.00 0.00 C ATOM 27 ND1 HIS A 0 6.409 8.444 4.676 1.00 0.00 N ATOM 28 CD2 HIS A 0 7.835 10.131 4.979 1.00 0.00 C ATOM 29 CE1 HIS A 0 7.660 7.960 4.544 1.00 0.00 C ATOM 30 NE2 HIS A 0 8.542 8.969 4.717 1.00 0.00 N ATOM 0 H HIS A 0 6.121 11.756 7.963 1.00 0.00 H new ATOM 0 HA HIS A 0 3.709 11.051 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 0 4.532 10.442 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 0 5.656 11.744 4.842 1.00 0.00 H new ATOM 0 HD2 HIS A 0 8.251 11.111 5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 0 7.916 6.932 4.334 1.00 0.00 H new ATOM 0 HE2 HIS A 0 9.557 8.889 4.664 1.00 0.00 H new ATOM 39 N MET A 1 4.309 8.415 6.940 1.00 0.00 N ATOM 40 CA MET A 1 4.481 7.021 7.441 1.00 0.00 C ATOM 41 C MET A 1 4.198 5.928 6.364 1.00 0.00 C ATOM 42 O MET A 1 3.631 6.272 5.331 1.00 0.00 O ATOM 43 CB MET A 1 3.524 6.780 8.626 1.00 0.00 C ATOM 44 CG MET A 1 4.195 6.931 9.991 1.00 0.00 C ATOM 45 SD MET A 1 3.194 6.194 11.311 1.00 0.00 S ATOM 46 CE MET A 1 4.141 6.709 12.765 1.00 0.00 C ATOM 0 H MET A 1 3.629 8.465 6.182 1.00 0.00 H new ATOM 0 HA MET A 1 5.527 6.932 7.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.692 7.481 8.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.104 5.778 8.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.176 6.457 9.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.357 7.988 10.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.656 6.334 13.666 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.152 6.306 12.702 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.186 7.797 12.803 1.00 0.00 H new ATOM 56 N THR A 2 4.551 4.646 6.634 1.00 0.00 N ATOM 57 CA THR A 2 4.194 3.373 5.924 1.00 0.00 C ATOM 58 C THR A 2 4.503 2.119 6.789 1.00 0.00 C ATOM 59 O THR A 2 5.422 2.198 7.600 1.00 0.00 O ATOM 60 CB THR A 2 5.005 3.168 4.625 1.00 0.00 C ATOM 61 OG1 THR A 2 6.387 3.374 4.883 1.00 0.00 O ATOM 62 CG2 THR A 2 4.576 4.042 3.455 1.00 0.00 C ATOM 0 H THR A 2 5.153 4.449 7.433 1.00 0.00 H new ATOM 0 HA THR A 2 3.129 3.474 5.715 1.00 0.00 H new ATOM 0 HB THR A 2 4.805 2.141 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.897 3.241 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.203 3.826 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.535 3.835 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.683 5.092 3.727 1.00 0.00 H new ATOM 70 N LEU A 3 3.847 0.959 6.562 1.00 0.00 N ATOM 71 CA LEU A 3 4.031 -0.333 7.288 1.00 0.00 C ATOM 72 C LEU A 3 4.165 -1.564 6.342 1.00 0.00 C ATOM 73 O LEU A 3 4.110 -1.416 5.123 1.00 0.00 O ATOM 74 CB LEU A 3 2.866 -0.548 8.298 1.00 0.00 C ATOM 75 CG LEU A 3 3.082 -0.130 9.770 1.00 0.00 C ATOM 76 CD1 LEU A 3 4.296 -0.805 10.418 1.00 0.00 C ATOM 77 CD2 LEU A 3 3.157 1.382 9.974 1.00 0.00 C ATOM 0 H LEU A 3 3.138 0.887 5.832 1.00 0.00 H new ATOM 0 HA LEU A 3 4.977 -0.257 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.998 -0.006 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.609 -1.607 8.288 1.00 0.00 H new ATOM 0 HG LEU A 3 2.185 -0.487 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.391 -0.469 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.164 -1.887 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.198 -0.540 9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.310 1.599 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.989 1.786 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.226 1.841 9.640 1.00 0.00 H new ATOM 89 N ARG A 4 4.363 -2.785 6.892 1.00 0.00 N ATOM 90 CA ARG A 4 4.509 -4.072 6.161 1.00 0.00 C ATOM 91 C ARG A 4 3.193 -4.875 6.021 1.00 0.00 C ATOM 92 O ARG A 4 2.279 -4.696 6.827 1.00 0.00 O ATOM 93 CB ARG A 4 5.532 -4.992 6.875 1.00 0.00 C ATOM 94 CG ARG A 4 6.962 -4.463 7.105 1.00 0.00 C ATOM 95 CD ARG A 4 7.853 -4.466 5.852 1.00 0.00 C ATOM 96 NE ARG A 4 9.265 -4.184 6.196 1.00 0.00 N ATOM 97 CZ ARG A 4 10.316 -4.052 5.384 1.00 0.00 C ATOM 98 NH1 ARG A 4 10.225 -4.199 4.080 1.00 0.00 N ATOM 99 NH2 ARG A 4 11.497 -3.772 5.883 1.00 0.00 N ATOM 0 H ARG A 4 4.429 -2.909 7.902 1.00 0.00 H new ATOM 0 HA ARG A 4 4.843 -3.786 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.117 -5.258 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.608 -5.914 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.902 -3.445 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.440 -5.067 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.784 -5.434 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.492 -3.719 5.145 1.00 0.00 H new ATOM 0 HE ARG A 4 9.462 -4.076 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.326 -4.423 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.054 -4.089 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.611 -3.656 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.301 -3.671 5.264 1.00 0.00 H new ATOM 113 N ILE A 5 3.148 -5.882 5.122 1.00 0.00 N ATOM 114 CA ILE A 5 2.007 -6.831 4.973 1.00 0.00 C ATOM 115 C ILE A 5 1.597 -7.506 6.285 1.00 0.00 C ATOM 116 O ILE A 5 0.423 -7.802 6.485 1.00 0.00 O ATOM 117 CB ILE A 5 2.262 -7.910 3.884 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.977 -8.560 3.314 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.167 -9.062 4.365 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.060 -7.609 2.538 1.00 0.00 C ATOM 0 H ILE A 5 3.909 -6.067 4.468 1.00 0.00 H new ATOM 0 HA ILE A 5 1.176 -6.204 4.651 1.00 0.00 H new ATOM 0 HB ILE A 5 2.756 -7.336 3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.264 -9.381 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.411 -8.994 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.304 -9.779 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.136 -8.663 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.702 -9.559 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.812 -8.156 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.264 -6.800 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.602 -7.193 1.689 1.00 0.00 H new ATOM 132 N ARG A 6 2.556 -7.706 7.200 1.00 0.00 N ATOM 133 CA ARG A 6 2.331 -8.279 8.529 1.00 0.00 C ATOM 134 C ARG A 6 1.297 -7.461 9.315 1.00 0.00 C ATOM 135 O ARG A 6 0.413 -8.048 9.931 1.00 0.00 O ATOM 136 CB ARG A 6 3.689 -8.408 9.253 1.00 0.00 C ATOM 137 CG ARG A 6 3.803 -9.654 10.157 1.00 0.00 C ATOM 138 CD ARG A 6 5.103 -10.457 9.927 1.00 0.00 C ATOM 139 NE ARG A 6 4.866 -11.773 9.297 1.00 0.00 N ATOM 140 CZ ARG A 6 4.546 -12.048 8.036 1.00 0.00 C ATOM 141 NH1 ARG A 6 4.382 -11.106 7.138 1.00 0.00 N ATOM 142 NH2 ARG A 6 4.383 -13.291 7.651 1.00 0.00 N ATOM 0 H ARG A 6 3.533 -7.467 7.029 1.00 0.00 H new ATOM 0 HA ARG A 6 1.904 -9.278 8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.485 -8.438 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.852 -7.516 9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.756 -9.343 11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.946 -10.304 9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.776 -9.875 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.607 -10.603 10.882 1.00 0.00 H new ATOM 0 HE ARG A 6 4.961 -12.580 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.500 -10.127 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.137 -11.353 6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.502 -14.052 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.138 -13.497 6.683 1.00 0.00 H new ATOM 156 N THR A 7 1.353 -6.122 9.224 1.00 0.00 N ATOM 157 CA THR A 7 0.359 -5.187 9.790 1.00 0.00 C ATOM 158 C THR A 7 -1.000 -5.301 9.097 1.00 0.00 C ATOM 159 O THR A 7 -2.030 -5.313 9.766 1.00 0.00 O ATOM 160 CB THR A 7 0.874 -3.739 9.683 1.00 0.00 C ATOM 161 OG1 THR A 7 2.006 -3.603 10.510 1.00 0.00 O ATOM 162 CG2 THR A 7 -0.147 -2.681 10.104 1.00 0.00 C ATOM 0 H THR A 7 2.113 -5.643 8.741 1.00 0.00 H new ATOM 0 HA THR A 7 0.222 -5.456 10.837 1.00 0.00 H new ATOM 0 HB THR A 7 1.098 -3.568 8.630 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.155 -2.655 10.707 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.293 -1.689 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.030 -2.755 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.432 -2.844 11.143 1.00 0.00 H new ATOM 170 N ILE A 8 -1.010 -5.401 7.762 1.00 0.00 N ATOM 171 CA ILE A 8 -2.237 -5.536 6.967 1.00 0.00 C ATOM 172 C ILE A 8 -2.957 -6.835 7.349 1.00 0.00 C ATOM 173 O ILE A 8 -4.147 -6.822 7.661 1.00 0.00 O ATOM 174 CB ILE A 8 -1.930 -5.481 5.450 1.00 0.00 C ATOM 175 CG1 ILE A 8 -1.073 -4.243 5.094 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.252 -5.470 4.652 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.629 -4.144 3.630 1.00 0.00 C ATOM 0 H ILE A 8 -0.160 -5.390 7.199 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.896 -4.696 7.188 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.355 -6.368 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.640 -3.347 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.184 -4.245 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.033 -5.431 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.818 -6.375 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.840 -4.596 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.035 -3.241 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.029 -5.016 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.507 -4.104 2.985 1.00 0.00 H new ATOM 189 N ALA A 9 -2.226 -7.954 7.364 1.00 0.00 N ATOM 190 CA ALA A 9 -2.722 -9.262 7.769 1.00 0.00 C ATOM 191 C ALA A 9 -3.226 -9.259 9.219 1.00 0.00 C ATOM 192 O ALA A 9 -4.327 -9.750 9.478 1.00 0.00 O ATOM 193 CB ALA A 9 -1.618 -10.298 7.556 1.00 0.00 C ATOM 0 H ALA A 9 -1.245 -7.969 7.086 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.582 -9.522 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.979 -11.282 7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.338 -10.320 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.748 -10.032 8.157 1.00 0.00 H new ATOM 199 N ARG A 10 -2.462 -8.648 10.143 1.00 0.00 N ATOM 200 CA ARG A 10 -2.776 -8.464 11.572 1.00 0.00 C ATOM 201 C ARG A 10 -4.146 -7.848 11.877 1.00 0.00 C ATOM 202 O ARG A 10 -4.588 -7.981 13.014 1.00 0.00 O ATOM 203 CB ARG A 10 -1.666 -7.630 12.243 1.00 0.00 C ATOM 204 CG ARG A 10 -0.533 -8.493 12.823 1.00 0.00 C ATOM 205 CD ARG A 10 -0.796 -8.834 14.295 1.00 0.00 C ATOM 206 NE ARG A 10 -0.468 -7.691 15.171 1.00 0.00 N ATOM 207 CZ ARG A 10 -0.901 -7.465 16.405 1.00 0.00 C ATOM 208 NH1 ARG A 10 -1.776 -8.249 16.989 1.00 0.00 N ATOM 209 NH2 ARG A 10 -0.449 -6.434 17.082 1.00 0.00 N ATOM 0 H ARG A 10 -1.557 -8.246 9.898 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.824 -9.472 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.249 -6.936 11.513 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.103 -7.029 13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.440 -9.412 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.415 -7.962 12.733 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.843 -9.109 14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.200 -9.700 14.583 1.00 0.00 H new ATOM 0 HE ARG A 10 0.166 -6.993 14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.144 -9.061 16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.088 -8.047 17.939 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.235 -5.807 16.659 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.782 -6.261 18.030 1.00 0.00 H new ATOM 223 N MET A 11 -4.850 -7.267 10.895 1.00 0.00 N ATOM 224 CA MET A 11 -6.272 -6.929 11.030 1.00 0.00 C ATOM 225 C MET A 11 -7.141 -8.135 11.437 1.00 0.00 C ATOM 226 O MET A 11 -8.139 -7.942 12.125 1.00 0.00 O ATOM 227 CB MET A 11 -6.826 -6.349 9.721 1.00 0.00 C ATOM 228 CG MET A 11 -6.294 -4.957 9.363 1.00 0.00 C ATOM 229 SD MET A 11 -7.171 -4.253 7.935 1.00 0.00 S ATOM 230 CE MET A 11 -5.928 -3.131 7.249 1.00 0.00 C ATOM 0 H MET A 11 -4.451 -7.020 9.989 1.00 0.00 H new ATOM 0 HA MET A 11 -6.324 -6.186 11.826 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.590 -7.034 8.907 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.913 -6.301 9.792 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.403 -4.293 10.221 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.229 -5.020 9.142 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.334 -2.633 6.368 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.660 -2.384 7.996 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.041 -3.699 6.968 1.00 0.00 H new ATOM 240 N THR A 12 -6.793 -9.366 11.021 1.00 0.00 N ATOM 241 CA THR A 12 -7.495 -10.586 11.474 1.00 0.00 C ATOM 242 C THR A 12 -6.694 -11.900 11.362 1.00 0.00 C ATOM 243 O THR A 12 -7.117 -12.929 11.881 1.00 0.00 O ATOM 244 CB THR A 12 -8.858 -10.705 10.749 1.00 0.00 C ATOM 245 OG1 THR A 12 -9.679 -11.676 11.347 1.00 0.00 O ATOM 246 CG2 THR A 12 -8.755 -11.035 9.256 1.00 0.00 C ATOM 0 H THR A 12 -6.028 -9.545 10.370 1.00 0.00 H new ATOM 0 HA THR A 12 -7.639 -10.455 12.547 1.00 0.00 H new ATOM 0 HB THR A 12 -9.293 -9.710 10.845 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.121 -12.371 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.755 -11.100 8.828 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.193 -10.251 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.244 -11.989 9.129 1.00 0.00 H new ATOM 254 N GLY A 13 -5.547 -11.918 10.673 1.00 0.00 N ATOM 255 CA GLY A 13 -4.764 -13.122 10.388 1.00 0.00 C ATOM 256 C GLY A 13 -5.384 -14.003 9.300 1.00 0.00 C ATOM 257 O GLY A 13 -4.676 -14.403 8.382 1.00 0.00 O ATOM 0 H GLY A 13 -5.128 -11.071 10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.760 -12.830 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.661 -13.705 11.303 1.00 0.00 H new ATOM 261 N ILE A 14 -6.696 -14.273 9.345 1.00 0.00 N ATOM 262 CA ILE A 14 -7.389 -15.160 8.387 1.00 0.00 C ATOM 263 C ILE A 14 -7.165 -14.710 6.933 1.00 0.00 C ATOM 264 O ILE A 14 -6.901 -15.532 6.055 1.00 0.00 O ATOM 265 CB ILE A 14 -8.886 -15.408 8.752 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.968 -14.647 7.941 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.171 -15.171 10.249 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.319 -15.292 6.590 1.00 0.00 C ATOM 0 H ILE A 14 -7.316 -13.880 10.053 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.927 -16.144 8.472 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.987 -16.457 8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.874 -14.577 8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.623 -13.628 7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.226 -15.356 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.562 -15.848 10.847 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.927 -14.140 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.082 -14.696 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.427 -15.337 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.697 -16.301 6.756 1.00 0.00 H new ATOM 280 N ARG A 15 -7.177 -13.390 6.696 1.00 0.00 N ATOM 281 CA ARG A 15 -6.875 -12.779 5.398 1.00 0.00 C ATOM 282 C ARG A 15 -5.447 -13.035 4.905 1.00 0.00 C ATOM 283 O ARG A 15 -5.215 -12.916 3.710 1.00 0.00 O ATOM 284 CB ARG A 15 -7.189 -11.272 5.415 1.00 0.00 C ATOM 285 CG ARG A 15 -6.271 -10.467 6.352 1.00 0.00 C ATOM 286 CD ARG A 15 -6.436 -8.960 6.151 1.00 0.00 C ATOM 287 NE ARG A 15 -7.750 -8.472 6.603 1.00 0.00 N ATOM 288 CZ ARG A 15 -8.229 -7.252 6.416 1.00 0.00 C ATOM 289 NH1 ARG A 15 -7.591 -6.375 5.680 1.00 0.00 N ATOM 290 NH2 ARG A 15 -9.358 -6.888 6.977 1.00 0.00 N ATOM 0 H ARG A 15 -7.402 -12.705 7.418 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.528 -13.273 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.098 -10.878 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.225 -11.128 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.495 -10.722 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.233 -10.746 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.650 -8.436 6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.307 -8.721 5.095 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.344 -9.133 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.707 -6.627 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.978 -5.441 5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.873 -7.547 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.721 -5.946 6.828 1.00 0.00 H new ATOM 304 N GLU A 16 -4.485 -13.410 5.751 1.00 0.00 N ATOM 305 CA GLU A 16 -3.102 -13.658 5.325 1.00 0.00 C ATOM 306 C GLU A 16 -3.019 -14.771 4.271 1.00 0.00 C ATOM 307 O GLU A 16 -2.274 -14.649 3.297 1.00 0.00 O ATOM 308 CB GLU A 16 -2.246 -14.027 6.538 1.00 0.00 C ATOM 309 CG GLU A 16 -0.755 -13.817 6.254 1.00 0.00 C ATOM 310 CD GLU A 16 0.079 -14.668 7.209 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.197 -15.880 6.887 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.614 -14.112 8.192 1.00 0.00 O ATOM 0 H GLU A 16 -4.640 -13.551 6.749 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.725 -12.742 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.544 -13.421 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.424 -15.068 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.531 -14.087 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.498 -12.764 6.372 1.00 0.00 H new ATOM 319 N ALA A 17 -3.854 -15.807 4.423 1.00 0.00 N ATOM 320 CA ALA A 17 -4.034 -16.871 3.442 1.00 0.00 C ATOM 321 C ALA A 17 -4.543 -16.348 2.087 1.00 0.00 C ATOM 322 O ALA A 17 -4.277 -16.967 1.062 1.00 0.00 O ATOM 323 CB ALA A 17 -5.006 -17.900 4.028 1.00 0.00 C ATOM 0 H ALA A 17 -4.434 -15.926 5.253 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.065 -17.329 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.157 -18.707 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.593 -18.307 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.961 -17.419 4.239 1.00 0.00 H new ATOM 329 N THR A 18 -5.236 -15.202 2.075 1.00 0.00 N ATOM 330 CA THR A 18 -5.679 -14.485 0.877 1.00 0.00 C ATOM 331 C THR A 18 -4.569 -13.566 0.349 1.00 0.00 C ATOM 332 O THR A 18 -4.251 -13.636 -0.833 1.00 0.00 O ATOM 333 CB THR A 18 -7.027 -13.774 1.153 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.967 -14.212 0.197 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.039 -12.245 1.126 1.00 0.00 C ATOM 0 H THR A 18 -5.514 -14.731 2.936 1.00 0.00 H new ATOM 0 HA THR A 18 -5.872 -15.190 0.068 1.00 0.00 H new ATOM 0 HB THR A 18 -7.258 -14.045 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.828 -13.772 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.046 -11.885 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.353 -11.862 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.727 -11.896 0.142 1.00 0.00 H new ATOM 343 N LEU A 19 -3.922 -12.770 1.211 1.00 0.00 N ATOM 344 CA LEU A 19 -2.820 -11.866 0.855 1.00 0.00 C ATOM 345 C LEU A 19 -1.666 -12.629 0.177 1.00 0.00 C ATOM 346 O LEU A 19 -1.279 -12.311 -0.948 1.00 0.00 O ATOM 347 CB LEU A 19 -2.316 -11.138 2.118 1.00 0.00 C ATOM 348 CG LEU A 19 -3.326 -10.219 2.840 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.772 -9.839 4.220 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.662 -8.964 2.038 1.00 0.00 C ATOM 0 H LEU A 19 -4.157 -12.736 2.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.194 -11.132 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.971 -11.889 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.448 -10.539 1.842 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.257 -10.775 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.483 -9.190 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.615 -10.742 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.824 -9.315 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.376 -8.357 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.753 -8.388 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.098 -9.250 1.081 1.00 0.00 H new ATOM 362 N ARG A 20 -1.141 -13.666 0.849 1.00 0.00 N ATOM 363 CA ARG A 20 -0.070 -14.528 0.325 1.00 0.00 C ATOM 364 C ARG A 20 -0.510 -15.375 -0.867 1.00 0.00 C ATOM 365 O ARG A 20 0.322 -15.699 -1.708 1.00 0.00 O ATOM 366 CB ARG A 20 0.428 -15.478 1.414 1.00 0.00 C ATOM 367 CG ARG A 20 1.239 -14.787 2.516 1.00 0.00 C ATOM 368 CD ARG A 20 1.884 -15.827 3.445 1.00 0.00 C ATOM 369 NE ARG A 20 0.917 -16.452 4.363 1.00 0.00 N ATOM 370 CZ ARG A 20 0.112 -17.488 4.206 1.00 0.00 C ATOM 371 NH1 ARG A 20 0.076 -18.216 3.110 1.00 0.00 N ATOM 372 NH2 ARG A 20 -0.671 -17.784 5.210 1.00 0.00 N ATOM 0 H ARG A 20 -1.452 -13.932 1.783 1.00 0.00 H new ATOM 0 HA ARG A 20 0.720 -13.853 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.429 -15.978 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.043 -16.252 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.012 -14.162 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.591 -14.128 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.358 -16.601 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.672 -15.349 4.026 1.00 0.00 H new ATOM 0 HE ARG A 20 0.858 -16.008 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.690 -17.990 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.566 -19.006 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.641 -17.225 6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.312 -18.574 5.141 1.00 0.00 H new ATOM 386 N ALA A 21 -1.796 -15.732 -0.961 1.00 0.00 N ATOM 387 CA ALA A 21 -2.332 -16.318 -2.183 1.00 0.00 C ATOM 388 C ALA A 21 -2.196 -15.310 -3.325 1.00 0.00 C ATOM 389 O ALA A 21 -1.498 -15.594 -4.298 1.00 0.00 O ATOM 390 CB ALA A 21 -3.780 -16.775 -1.985 1.00 0.00 C ATOM 0 H ALA A 21 -2.476 -15.624 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.761 -17.210 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.155 -17.208 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.820 -17.523 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.397 -15.920 -1.709 1.00 0.00 H new ATOM 396 N TRP A 22 -2.819 -14.131 -3.198 1.00 0.00 N ATOM 397 CA TRP A 22 -2.812 -13.096 -4.227 1.00 0.00 C ATOM 398 C TRP A 22 -1.413 -12.708 -4.694 1.00 0.00 C ATOM 399 O TRP A 22 -1.259 -12.457 -5.885 1.00 0.00 O ATOM 400 CB TRP A 22 -3.513 -11.837 -3.754 1.00 0.00 C ATOM 401 CG TRP A 22 -4.920 -11.894 -3.273 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.861 -12.807 -3.586 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.562 -10.934 -2.391 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.042 -12.468 -2.956 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.931 -11.286 -2.256 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.117 -9.791 -1.701 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.825 -10.524 -1.492 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.997 -9.025 -0.921 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.347 -9.392 -0.805 1.00 0.00 C ATOM 0 H TRP A 22 -3.347 -13.871 -2.365 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.345 -13.540 -5.068 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.913 -11.418 -2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.482 -11.123 -4.577 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.715 -13.665 -4.226 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.895 -13.026 -3.003 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.080 -9.498 -1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.867 -10.801 -1.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.633 -8.148 -0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.017 -8.808 -0.191 1.00 0.00 H new ATOM 420 N GLU A 23 -0.405 -12.734 -3.811 1.00 0.00 N ATOM 421 CA GLU A 23 1.014 -12.578 -4.151 1.00 0.00 C ATOM 422 C GLU A 23 1.417 -13.401 -5.389 1.00 0.00 C ATOM 423 O GLU A 23 2.087 -12.879 -6.278 1.00 0.00 O ATOM 424 CB GLU A 23 1.873 -12.987 -2.943 1.00 0.00 C ATOM 425 CG GLU A 23 3.267 -12.344 -2.958 1.00 0.00 C ATOM 426 CD GLU A 23 4.325 -13.277 -2.357 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.149 -13.669 -1.181 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.296 -13.590 -3.086 1.00 0.00 O ATOM 0 H GLU A 23 -0.560 -12.868 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 23 1.184 -11.530 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.358 -12.705 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.979 -14.072 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.542 -12.093 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.244 -11.410 -2.397 1.00 0.00 H new ATOM 435 N ARG A 24 0.955 -14.661 -5.477 1.00 0.00 N ATOM 436 CA ARG A 24 1.192 -15.561 -6.616 1.00 0.00 C ATOM 437 C ARG A 24 -0.013 -15.685 -7.568 1.00 0.00 C ATOM 438 O ARG A 24 0.155 -16.129 -8.700 1.00 0.00 O ATOM 439 CB ARG A 24 1.644 -16.937 -6.080 1.00 0.00 C ATOM 440 CG ARG A 24 2.619 -17.615 -7.055 1.00 0.00 C ATOM 441 CD ARG A 24 2.972 -19.045 -6.629 1.00 0.00 C ATOM 442 NE ARG A 24 3.654 -19.754 -7.726 1.00 0.00 N ATOM 443 CZ ARG A 24 3.852 -21.061 -7.844 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.555 -21.897 -6.876 1.00 0.00 N ATOM 445 NH2 ARG A 24 4.350 -21.554 -8.953 1.00 0.00 N ATOM 0 H ARG A 24 0.394 -15.090 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 24 1.982 -15.124 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.123 -16.813 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.774 -17.576 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.177 -17.634 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.532 -17.023 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.614 -19.021 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.066 -19.582 -6.348 1.00 0.00 H new ATOM 0 HE ARG A 24 4.016 -19.173 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.160 -21.547 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.719 -22.896 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.586 -20.933 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.501 -22.559 -9.042 1.00 0.00 H new ATOM 459 N ARG A 25 -1.220 -15.305 -7.124 1.00 0.00 N ATOM 460 CA ARG A 25 -2.497 -15.419 -7.858 1.00 0.00 C ATOM 461 C ARG A 25 -2.779 -14.225 -8.787 1.00 0.00 C ATOM 462 O ARG A 25 -3.378 -14.429 -9.838 1.00 0.00 O ATOM 463 CB ARG A 25 -3.631 -15.617 -6.829 1.00 0.00 C ATOM 464 CG ARG A 25 -4.714 -16.654 -7.156 1.00 0.00 C ATOM 465 CD ARG A 25 -5.461 -16.981 -5.848 1.00 0.00 C ATOM 466 NE ARG A 25 -6.372 -18.132 -5.977 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.641 -19.047 -5.048 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.156 -18.979 -3.827 1.00 0.00 N ATOM 469 NH2 ARG A 25 -7.413 -20.069 -5.329 1.00 0.00 N ATOM 0 H ARG A 25 -1.342 -14.890 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.434 -16.280 -8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.177 -15.894 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.121 -14.655 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.405 -16.263 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.266 -17.555 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.734 -17.187 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.031 -16.107 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.847 -18.239 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.549 -18.204 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.387 -19.702 -3.145 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.811 -20.166 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.616 -20.767 -4.613 1.00 0.00 H new ATOM 483 N TYR A 26 -2.354 -13.005 -8.413 1.00 0.00 N ATOM 484 CA TYR A 26 -2.588 -11.754 -9.164 1.00 0.00 C ATOM 485 C TYR A 26 -1.462 -10.711 -9.042 1.00 0.00 C ATOM 486 O TYR A 26 -1.189 -10.000 -10.006 1.00 0.00 O ATOM 487 CB TYR A 26 -3.887 -11.068 -8.695 1.00 0.00 C ATOM 488 CG TYR A 26 -5.103 -11.968 -8.638 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.814 -12.281 -9.812 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.470 -12.550 -7.413 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.879 -13.199 -9.766 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.504 -13.497 -7.372 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.214 -13.824 -8.546 1.00 0.00 C ATOM 494 OH TYR A 26 -8.207 -14.752 -8.507 1.00 0.00 O ATOM 0 H TYR A 26 -1.823 -12.856 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.643 -12.076 -10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.720 -10.646 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.102 -10.235 -9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.542 -11.816 -10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.957 -12.269 -6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.439 -13.425 -10.662 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.757 -13.977 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.154 -15.253 -7.666 1.00 0.00 H new ATOM 504 N GLY A 27 -0.857 -10.571 -7.855 1.00 0.00 N ATOM 505 CA GLY A 27 0.151 -9.562 -7.515 1.00 0.00 C ATOM 506 C GLY A 27 -0.373 -8.371 -6.695 1.00 0.00 C ATOM 507 O GLY A 27 0.409 -7.488 -6.352 1.00 0.00 O ATOM 0 H GLY A 27 -1.068 -11.188 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.952 -10.045 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.590 -9.183 -8.438 1.00 0.00 H new ATOM 511 N PHE A 28 -1.672 -8.327 -6.374 1.00 0.00 N ATOM 512 CA PHE A 28 -2.271 -7.351 -5.455 1.00 0.00 C ATOM 513 C PHE A 28 -2.293 -7.905 -4.014 1.00 0.00 C ATOM 514 O PHE A 28 -2.622 -9.069 -3.840 1.00 0.00 O ATOM 515 CB PHE A 28 -3.696 -7.033 -5.931 1.00 0.00 C ATOM 516 CG PHE A 28 -4.574 -6.271 -4.948 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.310 -6.971 -3.970 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.699 -4.872 -5.039 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.223 -6.291 -3.145 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.576 -4.186 -4.181 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.361 -4.898 -3.260 1.00 0.00 C ATOM 0 H PHE A 28 -2.352 -8.985 -6.755 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.674 -6.439 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.629 -6.454 -6.852 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.193 -7.971 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.172 -8.036 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.121 -4.325 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.816 -6.837 -2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.646 -3.109 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.072 -4.374 -2.639 1.00 0.00 H new ATOM 531 N PRO A 29 -2.037 -7.101 -2.970 1.00 0.00 N ATOM 532 CA PRO A 29 -1.465 -5.772 -3.059 1.00 0.00 C ATOM 533 C PRO A 29 -0.004 -5.823 -3.505 1.00 0.00 C ATOM 534 O PRO A 29 0.790 -6.650 -3.038 1.00 0.00 O ATOM 535 CB PRO A 29 -1.615 -5.205 -1.660 1.00 0.00 C ATOM 536 CG PRO A 29 -1.591 -6.405 -0.726 1.00 0.00 C ATOM 537 CD PRO A 29 -2.278 -7.466 -1.577 1.00 0.00 C ATOM 0 HA PRO A 29 -1.963 -5.151 -3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.805 -4.513 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.548 -4.650 -1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.576 -6.692 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.128 -6.213 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.877 -8.456 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.347 -7.501 -1.365 1.00 0.00 H new ATOM 545 N ARG A 30 0.354 -4.886 -4.389 1.00 0.00 N ATOM 546 CA ARG A 30 1.695 -4.781 -4.966 1.00 0.00 C ATOM 547 C ARG A 30 2.696 -4.218 -3.942 1.00 0.00 C ATOM 548 O ARG A 30 2.429 -3.170 -3.352 1.00 0.00 O ATOM 549 CB ARG A 30 1.663 -3.951 -6.258 1.00 0.00 C ATOM 550 CG ARG A 30 1.178 -2.496 -6.089 1.00 0.00 C ATOM 551 CD ARG A 30 -0.106 -2.202 -6.871 1.00 0.00 C ATOM 552 NE ARG A 30 -0.578 -0.827 -6.617 1.00 0.00 N ATOM 553 CZ ARG A 30 -0.055 0.304 -7.081 1.00 0.00 C ATOM 554 NH1 ARG A 30 0.970 0.307 -7.903 1.00 0.00 N ATOM 555 NH2 ARG A 30 -0.549 1.464 -6.717 1.00 0.00 N ATOM 0 H ARG A 30 -0.289 -4.170 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 30 2.039 -5.782 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.665 -3.936 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.016 -4.452 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.007 -2.296 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.963 -1.816 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.075 -2.337 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.880 -2.914 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.398 -0.734 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.386 -0.575 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.349 1.191 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.340 1.502 -6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.142 2.327 -7.077 1.00 0.00 H new ATOM 569 N PRO A 31 3.840 -4.879 -3.703 1.00 0.00 N ATOM 570 CA PRO A 31 4.827 -4.374 -2.757 1.00 0.00 C ATOM 571 C PRO A 31 5.430 -3.058 -3.259 1.00 0.00 C ATOM 572 O PRO A 31 5.665 -2.893 -4.458 1.00 0.00 O ATOM 573 CB PRO A 31 5.861 -5.489 -2.645 1.00 0.00 C ATOM 574 CG PRO A 31 5.777 -6.240 -3.970 1.00 0.00 C ATOM 575 CD PRO A 31 4.306 -6.094 -4.356 1.00 0.00 C ATOM 0 HA PRO A 31 4.401 -4.138 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.860 -5.086 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.642 -6.147 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.436 -5.807 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.063 -7.286 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.191 -6.025 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.729 -6.959 -4.029 1.00 0.00 H new ATOM 583 N LEU A 32 5.690 -2.117 -2.343 1.00 0.00 N ATOM 584 CA LEU A 32 6.308 -0.839 -2.702 1.00 0.00 C ATOM 585 C LEU A 32 7.741 -1.083 -3.209 1.00 0.00 C ATOM 586 O LEU A 32 8.436 -1.989 -2.739 1.00 0.00 O ATOM 587 CB LEU A 32 6.279 0.114 -1.491 1.00 0.00 C ATOM 588 CG LEU A 32 4.942 0.834 -1.169 1.00 0.00 C ATOM 589 CD1 LEU A 32 4.995 2.295 -1.626 1.00 0.00 C ATOM 590 CD2 LEU A 32 3.669 0.217 -1.762 1.00 0.00 C ATOM 0 H LEU A 32 5.482 -2.218 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 32 5.746 -0.365 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.574 -0.455 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.041 0.877 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 32 4.862 0.728 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.049 2.784 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.806 2.808 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.167 2.334 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.804 0.811 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.744 0.203 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.553 -0.802 -1.393 1.00 0.00 H new ATOM 602 N ARG A 33 8.187 -0.260 -4.171 1.00 0.00 N ATOM 603 CA ARG A 33 9.504 -0.369 -4.813 1.00 0.00 C ATOM 604 C ARG A 33 10.619 0.062 -3.846 1.00 0.00 C ATOM 605 O ARG A 33 11.168 1.161 -3.925 1.00 0.00 O ATOM 606 CB ARG A 33 9.520 0.417 -6.137 1.00 0.00 C ATOM 607 CG ARG A 33 10.730 0.011 -6.999 1.00 0.00 C ATOM 608 CD ARG A 33 11.273 1.180 -7.830 1.00 0.00 C ATOM 609 NE ARG A 33 12.498 0.794 -8.557 1.00 0.00 N ATOM 610 CZ ARG A 33 12.589 0.061 -9.662 1.00 0.00 C ATOM 611 NH1 ARG A 33 11.525 -0.378 -10.294 1.00 0.00 N ATOM 612 NH2 ARG A 33 13.766 -0.249 -10.153 1.00 0.00 N ATOM 0 H ARG A 33 7.630 0.515 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 33 9.698 -1.412 -5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.597 0.231 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.558 1.486 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.521 -0.371 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.442 -0.802 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.514 1.509 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.486 2.026 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 33 13.378 1.129 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.594 -0.159 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.629 -0.938 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.614 0.073 -9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.833 -0.812 -11.001 1.00 0.00 H new ATOM 626 N SER A 34 10.917 -0.789 -2.871 1.00 0.00 N ATOM 627 CA SER A 34 11.920 -0.564 -1.829 1.00 0.00 C ATOM 628 C SER A 34 12.439 -1.890 -1.260 1.00 0.00 C ATOM 629 O SER A 34 12.033 -2.975 -1.686 1.00 0.00 O ATOM 630 CB SER A 34 11.311 0.305 -0.718 1.00 0.00 C ATOM 631 OG SER A 34 11.001 1.589 -1.229 1.00 0.00 O ATOM 0 H SER A 34 10.450 -1.691 -2.778 1.00 0.00 H new ATOM 0 HA SER A 34 12.772 -0.045 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.410 -0.168 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.011 0.393 0.112 1.00 0.00 H new ATOM 0 HG SER A 34 10.611 2.139 -0.518 1.00 0.00 H new ATOM 637 N GLU A 35 13.361 -1.781 -0.299 1.00 0.00 N ATOM 638 CA GLU A 35 13.978 -2.884 0.435 1.00 0.00 C ATOM 639 C GLU A 35 12.945 -3.723 1.222 1.00 0.00 C ATOM 640 O GLU A 35 11.878 -3.257 1.645 1.00 0.00 O ATOM 641 CB GLU A 35 15.067 -2.288 1.356 1.00 0.00 C ATOM 642 CG GLU A 35 16.331 -3.149 1.506 1.00 0.00 C ATOM 643 CD GLU A 35 16.076 -4.424 2.310 1.00 0.00 C ATOM 644 OE1 GLU A 35 15.890 -4.317 3.541 1.00 0.00 O ATOM 645 OE2 GLU A 35 15.937 -5.487 1.658 1.00 0.00 O ATOM 0 H GLU A 35 13.714 -0.872 0.002 1.00 0.00 H new ATOM 0 HA GLU A 35 14.429 -3.583 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.355 -1.311 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.637 -2.125 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 35 16.705 -3.415 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.110 -2.564 1.995 1.00 0.00 H new ATOM 652 N GLY A 36 13.284 -4.989 1.450 1.00 0.00 N ATOM 653 CA GLY A 36 12.418 -6.003 2.007 1.00 0.00 C ATOM 654 C GLY A 36 12.465 -7.267 1.160 1.00 0.00 C ATOM 655 O GLY A 36 11.698 -7.401 0.208 1.00 0.00 O ATOM 0 H GLY A 36 14.216 -5.344 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.724 -6.231 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.395 -5.629 2.057 1.00 0.00 H new ATOM 659 N ASN A 37 13.374 -8.186 1.500 1.00 0.00 N ATOM 660 CA ASN A 37 13.416 -9.527 0.916 1.00 0.00 C ATOM 661 C ASN A 37 12.181 -10.347 1.337 1.00 0.00 C ATOM 662 O ASN A 37 11.304 -10.633 0.529 1.00 0.00 O ATOM 663 CB ASN A 37 14.741 -10.204 1.320 1.00 0.00 C ATOM 664 CG ASN A 37 14.897 -11.569 0.663 1.00 0.00 C ATOM 665 OD1 ASN A 37 15.143 -11.668 -0.526 1.00 0.00 O ATOM 666 ND2 ASN A 37 14.753 -12.662 1.386 1.00 0.00 N ATOM 0 H ASN A 37 14.104 -8.018 2.192 1.00 0.00 H new ATOM 0 HA ASN A 37 13.382 -9.463 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.578 -9.565 1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.778 -10.315 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.848 -13.579 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.547 -12.591 2.382 1.00 0.00 H new ATOM 673 N ASN A 38 12.126 -10.725 2.621 1.00 0.00 N ATOM 674 CA ASN A 38 11.093 -11.592 3.209 1.00 0.00 C ATOM 675 C ASN A 38 9.813 -10.814 3.554 1.00 0.00 C ATOM 676 O ASN A 38 8.716 -11.365 3.573 1.00 0.00 O ATOM 677 CB ASN A 38 11.635 -12.253 4.500 1.00 0.00 C ATOM 678 CG ASN A 38 13.154 -12.302 4.585 1.00 0.00 C ATOM 679 OD1 ASN A 38 13.819 -13.101 3.947 1.00 0.00 O ATOM 680 ND2 ASN A 38 13.758 -11.366 5.286 1.00 0.00 N ATOM 0 H ASN A 38 12.823 -10.426 3.303 1.00 0.00 H new ATOM 0 HA ASN A 38 10.845 -12.348 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.251 -11.708 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.246 -13.269 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.777 -11.312 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.208 -10.695 5.822 1.00 0.00 H new ATOM 687 N TYR A 39 9.982 -9.530 3.872 1.00 0.00 N ATOM 688 CA TYR A 39 8.952 -8.597 4.308 1.00 0.00 C ATOM 689 C TYR A 39 8.748 -7.567 3.202 1.00 0.00 C ATOM 690 O TYR A 39 9.719 -7.152 2.580 1.00 0.00 O ATOM 691 CB TYR A 39 9.402 -7.861 5.587 1.00 0.00 C ATOM 692 CG TYR A 39 10.423 -8.568 6.459 1.00 0.00 C ATOM 693 CD1 TYR A 39 10.004 -9.455 7.468 1.00 0.00 C ATOM 694 CD2 TYR A 39 11.797 -8.314 6.267 1.00 0.00 C ATOM 695 CE1 TYR A 39 10.955 -10.085 8.294 1.00 0.00 C ATOM 696 CE2 TYR A 39 12.751 -8.939 7.090 1.00 0.00 C ATOM 697 CZ TYR A 39 12.332 -9.823 8.108 1.00 0.00 C ATOM 698 OH TYR A 39 13.264 -10.429 8.887 1.00 0.00 O ATOM 0 H TYR A 39 10.901 -9.090 3.828 1.00 0.00 H new ATOM 0 HA TYR A 39 8.031 -9.142 4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.814 -6.895 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.518 -7.661 6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.952 -9.653 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.117 -7.639 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.633 -10.767 9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.803 -8.743 6.943 1.00 0.00 H new ATOM 0 HH TYR A 39 14.158 -10.132 8.618 1.00 0.00 H new ATOM 708 N ARG A 40 7.532 -7.052 3.021 1.00 0.00 N ATOM 709 CA ARG A 40 7.255 -6.009 2.030 1.00 0.00 C ATOM 710 C ARG A 40 6.480 -4.863 2.654 1.00 0.00 C ATOM 711 O ARG A 40 5.518 -5.109 3.382 1.00 0.00 O ATOM 712 CB ARG A 40 6.509 -6.622 0.838 1.00 0.00 C ATOM 713 CG ARG A 40 7.410 -7.464 -0.084 1.00 0.00 C ATOM 714 CD ARG A 40 8.563 -6.631 -0.665 1.00 0.00 C ATOM 715 NE ARG A 40 9.079 -7.193 -1.922 1.00 0.00 N ATOM 716 CZ ARG A 40 9.908 -6.587 -2.764 1.00 0.00 C ATOM 717 NH1 ARG A 40 10.397 -5.391 -2.524 1.00 0.00 N ATOM 718 NH2 ARG A 40 10.250 -7.181 -3.883 1.00 0.00 N ATOM 0 H ARG A 40 6.713 -7.344 3.554 1.00 0.00 H new ATOM 0 HA ARG A 40 8.196 -5.594 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.698 -7.248 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.053 -5.822 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.816 -8.308 0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.814 -7.878 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.220 -5.611 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.371 -6.575 0.064 1.00 0.00 H new ATOM 0 HE ARG A 40 8.772 -8.134 -2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.142 -4.898 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.032 -4.956 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.879 -8.105 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.887 -6.718 -4.532 1.00 0.00 H new ATOM 732 N VAL A 41 6.962 -3.637 2.416 1.00 0.00 N ATOM 733 CA VAL A 41 6.301 -2.380 2.785 1.00 0.00 C ATOM 734 C VAL A 41 5.176 -2.040 1.804 1.00 0.00 C ATOM 735 O VAL A 41 5.245 -2.356 0.613 1.00 0.00 O ATOM 736 CB VAL A 41 7.284 -1.186 2.869 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.981 -1.131 4.233 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.360 -1.179 1.772 1.00 0.00 C ATOM 0 H VAL A 41 7.854 -3.488 1.945 1.00 0.00 H new ATOM 0 HA VAL A 41 5.885 -2.542 3.780 1.00 0.00 H new ATOM 0 HB VAL A 41 6.657 -0.306 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.664 -0.282 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.234 -1.020 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.541 -2.052 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.007 -0.311 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.956 -2.089 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.882 -1.131 0.794 1.00 0.00 H new ATOM 748 N TYR A 42 4.158 -1.361 2.337 1.00 0.00 N ATOM 749 CA TYR A 42 2.903 -1.015 1.685 1.00 0.00 C ATOM 750 C TYR A 42 2.414 0.384 2.089 1.00 0.00 C ATOM 751 O TYR A 42 2.815 0.926 3.124 1.00 0.00 O ATOM 752 CB TYR A 42 1.872 -2.086 2.060 1.00 0.00 C ATOM 753 CG TYR A 42 2.060 -3.374 1.290 1.00 0.00 C ATOM 754 CD1 TYR A 42 1.521 -3.458 0.002 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.797 -4.457 1.807 1.00 0.00 C ATOM 756 CE1 TYR A 42 1.687 -4.625 -0.749 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.982 -5.624 1.034 1.00 0.00 C ATOM 758 CZ TYR A 42 2.390 -5.727 -0.243 1.00 0.00 C ATOM 759 OH TYR A 42 2.484 -6.867 -0.984 1.00 0.00 O ATOM 0 H TYR A 42 4.195 -1.018 3.297 1.00 0.00 H new ATOM 0 HA TYR A 42 3.049 -0.986 0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.941 -2.293 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.870 -1.700 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.977 -2.622 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.222 -4.395 2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.264 -4.679 -1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.577 -6.438 1.420 1.00 0.00 H new ATOM 0 HH TYR A 42 2.136 -6.701 -1.885 1.00 0.00 H new ATOM 769 N SER A 43 1.517 0.957 1.278 1.00 0.00 N ATOM 770 CA SER A 43 0.920 2.276 1.495 1.00 0.00 C ATOM 771 C SER A 43 -0.527 2.172 1.997 1.00 0.00 C ATOM 772 O SER A 43 -1.282 1.272 1.635 1.00 0.00 O ATOM 773 CB SER A 43 1.009 3.110 0.208 1.00 0.00 C ATOM 774 OG SER A 43 0.432 2.435 -0.893 1.00 0.00 O ATOM 0 H SER A 43 1.178 0.502 0.430 1.00 0.00 H new ATOM 0 HA SER A 43 1.486 2.782 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.502 4.064 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.053 3.334 -0.009 1.00 0.00 H new ATOM 0 HG SER A 43 0.504 2.995 -1.694 1.00 0.00 H new ATOM 780 N ARG A 44 -0.931 3.130 2.842 1.00 0.00 N ATOM 781 CA ARG A 44 -2.274 3.207 3.449 1.00 0.00 C ATOM 782 C ARG A 44 -3.408 3.359 2.421 1.00 0.00 C ATOM 783 O ARG A 44 -4.483 2.794 2.594 1.00 0.00 O ATOM 784 CB ARG A 44 -2.328 4.318 4.513 1.00 0.00 C ATOM 785 CG ARG A 44 -1.742 5.671 4.070 1.00 0.00 C ATOM 786 CD ARG A 44 -0.240 5.819 4.390 1.00 0.00 C ATOM 787 NE ARG A 44 -0.002 6.797 5.466 1.00 0.00 N ATOM 788 CZ ARG A 44 -0.187 8.111 5.393 1.00 0.00 C ATOM 789 NH1 ARG A 44 -0.533 8.703 4.271 1.00 0.00 N ATOM 790 NH2 ARG A 44 -0.043 8.856 6.462 1.00 0.00 N ATOM 0 H ARG A 44 -0.320 3.894 3.132 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.446 2.246 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.367 4.468 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.791 3.979 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.891 5.790 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.292 6.475 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.166 4.851 4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.294 6.130 3.492 1.00 0.00 H new ATOM 0 HE ARG A 44 0.338 6.429 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.667 8.151 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.667 9.714 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.212 8.427 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.185 9.864 6.404 1.00 0.00 H new ATOM 804 N GLU A 45 -3.141 4.102 1.348 1.00 0.00 N ATOM 805 CA GLU A 45 -3.998 4.291 0.171 1.00 0.00 C ATOM 806 C GLU A 45 -4.335 2.957 -0.511 1.00 0.00 C ATOM 807 O GLU A 45 -5.508 2.628 -0.663 1.00 0.00 O ATOM 808 CB GLU A 45 -3.325 5.276 -0.813 1.00 0.00 C ATOM 809 CG GLU A 45 -1.802 5.066 -0.899 1.00 0.00 C ATOM 810 CD GLU A 45 -1.151 5.561 -2.187 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.245 4.810 -3.185 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.455 6.596 -2.106 1.00 0.00 O ATOM 0 H GLU A 45 -2.267 4.622 1.269 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.945 4.718 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.763 5.153 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.531 6.299 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.333 5.573 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.591 4.002 -0.789 1.00 0.00 H new ATOM 819 N GLU A 46 -3.326 2.167 -0.896 1.00 0.00 N ATOM 820 CA GLU A 46 -3.543 0.872 -1.538 1.00 0.00 C ATOM 821 C GLU A 46 -4.142 -0.141 -0.538 1.00 0.00 C ATOM 822 O GLU A 46 -5.051 -0.899 -0.887 1.00 0.00 O ATOM 823 CB GLU A 46 -2.250 0.450 -2.271 1.00 0.00 C ATOM 824 CG GLU A 46 -1.214 -0.356 -1.475 1.00 0.00 C ATOM 825 CD GLU A 46 -1.655 -1.802 -1.269 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.092 -2.399 -2.280 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.530 -2.294 -0.124 1.00 0.00 O ATOM 0 H GLU A 46 -2.343 2.408 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.303 0.927 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.535 -0.138 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.763 1.353 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.259 -0.339 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.053 0.116 -0.506 1.00 0.00 H new ATOM 834 N VAL A 47 -3.734 -0.062 0.740 1.00 0.00 N ATOM 835 CA VAL A 47 -4.345 -0.798 1.855 1.00 0.00 C ATOM 836 C VAL A 47 -5.846 -0.560 1.976 1.00 0.00 C ATOM 837 O VAL A 47 -6.545 -1.507 2.319 1.00 0.00 O ATOM 838 CB VAL A 47 -3.626 -0.485 3.183 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.469 -0.658 4.459 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.408 -1.391 3.320 1.00 0.00 C ATOM 0 H VAL A 47 -2.954 0.528 1.030 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.219 -1.857 1.631 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.376 0.574 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.864 -0.411 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.333 0.006 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.809 -1.691 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.896 -1.173 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.727 -2.433 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.728 -1.215 2.486 1.00 0.00 H new ATOM 850 N GLU A 48 -6.382 0.639 1.697 1.00 0.00 N ATOM 851 CA GLU A 48 -7.839 0.875 1.724 1.00 0.00 C ATOM 852 C GLU A 48 -8.564 -0.129 0.819 1.00 0.00 C ATOM 853 O GLU A 48 -9.511 -0.788 1.258 1.00 0.00 O ATOM 854 CB GLU A 48 -8.165 2.314 1.305 1.00 0.00 C ATOM 855 CG GLU A 48 -9.664 2.655 1.413 1.00 0.00 C ATOM 856 CD GLU A 48 -10.014 3.159 2.781 1.00 0.00 C ATOM 857 OE1 GLU A 48 -10.083 2.265 3.689 1.00 0.00 O ATOM 858 OE2 GLU A 48 -10.249 4.395 2.939 1.00 0.00 O ATOM 0 H GLU A 48 -5.831 1.461 1.450 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.189 0.731 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.597 3.004 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.837 2.469 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.922 3.409 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.257 1.769 1.187 1.00 0.00 H new ATOM 865 N ALA A 49 -8.092 -0.279 -0.426 1.00 0.00 N ATOM 866 CA ALA A 49 -8.623 -1.261 -1.359 1.00 0.00 C ATOM 867 C ALA A 49 -8.557 -2.659 -0.744 1.00 0.00 C ATOM 868 O ALA A 49 -9.590 -3.305 -0.628 1.00 0.00 O ATOM 869 CB ALA A 49 -7.877 -1.191 -2.692 1.00 0.00 C ATOM 0 H ALA A 49 -7.330 0.282 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.670 -1.035 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.287 -1.932 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.992 -0.196 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.819 -1.395 -2.528 1.00 0.00 H new ATOM 875 N VAL A 50 -7.376 -3.098 -0.293 1.00 0.00 N ATOM 876 CA VAL A 50 -7.153 -4.414 0.331 1.00 0.00 C ATOM 877 C VAL A 50 -8.081 -4.656 1.518 1.00 0.00 C ATOM 878 O VAL A 50 -8.666 -5.731 1.639 1.00 0.00 O ATOM 879 CB VAL A 50 -5.701 -4.552 0.812 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.441 -5.912 1.477 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.708 -4.374 -0.328 1.00 0.00 C ATOM 0 H VAL A 50 -6.526 -2.537 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.367 -5.156 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.556 -3.760 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.402 -5.966 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.097 -6.026 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.639 -6.710 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.693 -4.479 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.889 -5.132 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.830 -3.383 -0.766 1.00 0.00 H new ATOM 891 N ARG A 51 -8.220 -3.657 2.390 1.00 0.00 N ATOM 892 CA ARG A 51 -9.083 -3.653 3.565 1.00 0.00 C ATOM 893 C ARG A 51 -10.541 -3.844 3.163 1.00 0.00 C ATOM 894 O ARG A 51 -11.231 -4.650 3.789 1.00 0.00 O ATOM 895 CB ARG A 51 -8.813 -2.353 4.348 1.00 0.00 C ATOM 896 CG ARG A 51 -9.439 -2.297 5.746 1.00 0.00 C ATOM 897 CD ARG A 51 -10.875 -1.758 5.789 1.00 0.00 C ATOM 898 NE ARG A 51 -10.963 -0.304 5.507 1.00 0.00 N ATOM 899 CZ ARG A 51 -11.900 0.527 5.970 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.877 0.126 6.738 1.00 0.00 N ATOM 901 NH2 ARG A 51 -11.891 1.794 5.673 1.00 0.00 N ATOM 0 H ARG A 51 -7.704 -2.783 2.287 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.861 -4.492 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.735 -2.221 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.187 -1.511 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.430 -3.300 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.813 -1.673 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.481 -2.300 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.302 -1.957 6.772 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.243 0.097 4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.945 -0.856 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.572 0.795 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.157 2.172 5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.618 2.409 6.039 1.00 0.00 H new ATOM 915 N ARG A 52 -10.985 -3.159 2.101 1.00 0.00 N ATOM 916 CA ARG A 52 -12.303 -3.355 1.496 1.00 0.00 C ATOM 917 C ARG A 52 -12.439 -4.746 0.883 1.00 0.00 C ATOM 918 O ARG A 52 -13.357 -5.461 1.268 1.00 0.00 O ATOM 919 CB ARG A 52 -12.595 -2.228 0.484 1.00 0.00 C ATOM 920 CG ARG A 52 -14.061 -1.764 0.569 1.00 0.00 C ATOM 921 CD ARG A 52 -14.214 -0.243 0.387 1.00 0.00 C ATOM 922 NE ARG A 52 -14.662 0.133 -0.966 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.901 0.050 -1.439 1.00 0.00 C ATOM 924 NH1 ARG A 52 -16.875 -0.478 -0.732 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.187 0.499 -2.638 1.00 0.00 N ATOM 0 H ARG A 52 -10.428 -2.443 1.633 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.059 -3.298 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.933 -1.384 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.380 -2.579 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.645 -2.278 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.474 -2.054 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.928 0.135 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.259 0.240 0.595 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.950 0.493 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.689 -0.837 0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.817 -0.529 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.456 0.915 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.141 0.432 -2.994 1.00 0.00 H new ATOM 939 N VAL A 53 -11.513 -5.140 0.000 1.00 0.00 N ATOM 940 CA VAL A 53 -11.429 -6.451 -0.656 1.00 0.00 C ATOM 941 C VAL A 53 -11.552 -7.564 0.386 1.00 0.00 C ATOM 942 O VAL A 53 -12.511 -8.321 0.323 1.00 0.00 O ATOM 943 CB VAL A 53 -10.161 -6.581 -1.542 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.067 -7.974 -2.167 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.118 -5.552 -2.687 1.00 0.00 C ATOM 0 H VAL A 53 -10.760 -4.517 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.268 -6.552 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.322 -6.398 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.170 -8.037 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.019 -8.724 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.945 -8.155 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.208 -5.694 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.987 -5.688 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.129 -4.544 -2.271 1.00 0.00 H new ATOM 955 N ALA A 54 -10.667 -7.639 1.387 1.00 0.00 N ATOM 956 CA ALA A 54 -10.713 -8.633 2.462 1.00 0.00 C ATOM 957 C ALA A 54 -12.080 -8.713 3.171 1.00 0.00 C ATOM 958 O ALA A 54 -12.566 -9.814 3.438 1.00 0.00 O ATOM 959 CB ALA A 54 -9.594 -8.316 3.461 1.00 0.00 C ATOM 0 H ALA A 54 -9.881 -6.994 1.473 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.565 -9.617 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.611 -9.046 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.630 -8.360 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.744 -7.317 3.870 1.00 0.00 H new ATOM 965 N ARG A 55 -12.723 -7.567 3.452 1.00 0.00 N ATOM 966 CA ARG A 55 -14.074 -7.532 4.031 1.00 0.00 C ATOM 967 C ARG A 55 -15.144 -8.030 3.048 1.00 0.00 C ATOM 968 O ARG A 55 -16.053 -8.745 3.453 1.00 0.00 O ATOM 969 CB ARG A 55 -14.396 -6.111 4.518 1.00 0.00 C ATOM 970 CG ARG A 55 -15.417 -6.144 5.665 1.00 0.00 C ATOM 971 CD ARG A 55 -16.048 -4.768 5.898 1.00 0.00 C ATOM 972 NE ARG A 55 -17.209 -4.560 5.011 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.880 -3.433 4.817 1.00 0.00 C ATOM 974 NH1 ARG A 55 -17.484 -2.294 5.338 1.00 0.00 N ATOM 975 NH2 ARG A 55 -18.975 -3.434 4.093 1.00 0.00 N ATOM 0 H ARG A 55 -12.322 -6.644 3.285 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.089 -8.215 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.482 -5.621 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.790 -5.519 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.198 -6.869 5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.927 -6.480 6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.361 -4.679 6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.306 -3.989 5.720 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.531 -5.375 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.640 -2.261 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.021 -1.443 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.311 -4.303 3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.489 -2.566 3.945 1.00 0.00 H new ATOM 989 N LEU A 56 -15.019 -7.684 1.765 1.00 0.00 N ATOM 990 CA LEU A 56 -15.847 -8.166 0.657 1.00 0.00 C ATOM 991 C LEU A 56 -15.682 -9.683 0.416 1.00 0.00 C ATOM 992 O LEU A 56 -16.666 -10.370 0.150 1.00 0.00 O ATOM 993 CB LEU A 56 -15.509 -7.330 -0.597 1.00 0.00 C ATOM 994 CG LEU A 56 -16.615 -6.327 -0.971 1.00 0.00 C ATOM 995 CD1 LEU A 56 -16.039 -5.174 -1.801 1.00 0.00 C ATOM 996 CD2 LEU A 56 -17.728 -7.010 -1.775 1.00 0.00 C ATOM 0 H LEU A 56 -14.302 -7.028 1.455 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.900 -8.034 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.579 -6.788 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.336 -8.001 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.031 -5.938 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.836 -4.475 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.274 -4.656 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.597 -5.569 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.496 -6.279 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.311 -7.428 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.169 -7.810 -1.180 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.469 -10.238 0.573 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.227 -11.691 0.589 1.00 0.00 C ATOM 1010 C ILE A 57 -15.054 -12.369 1.682 1.00 0.00 C ATOM 1011 O ILE A 57 -15.593 -13.445 1.436 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.718 -12.036 0.726 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.025 -12.091 -0.648 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.440 -13.392 1.409 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.633 -10.722 -1.165 1.00 0.00 C ATOM 0 H ILE A 57 -13.620 -9.686 0.694 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.551 -12.082 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.323 -11.234 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.134 -12.715 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.691 -12.568 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.364 -13.557 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.859 -13.385 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.900 -14.192 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.149 -10.825 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.524 -10.103 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.943 -10.252 -0.464 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.192 -11.747 2.860 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.023 -12.284 3.939 1.00 0.00 C ATOM 1029 C GLN A 58 -17.509 -12.433 3.551 1.00 0.00 C ATOM 1030 O GLN A 58 -18.217 -13.187 4.213 1.00 0.00 O ATOM 1031 CB GLN A 58 -15.864 -11.435 5.222 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.155 -12.150 6.384 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.783 -13.490 6.761 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.812 -13.563 7.411 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.165 -14.598 6.396 1.00 0.00 N ATOM 0 H GLN A 58 -14.734 -10.865 3.088 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.662 -13.294 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.307 -10.531 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.852 -11.119 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.111 -12.312 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.162 -11.498 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.304 -14.546 5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.549 -15.506 6.658 1.00 0.00 H new ATOM 1044 N GLU A 59 -17.983 -11.768 2.487 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.362 -11.903 1.999 1.00 0.00 C ATOM 1046 C GLU A 59 -19.540 -13.094 1.039 1.00 0.00 C ATOM 1047 O GLU A 59 -20.584 -13.740 1.069 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.836 -10.594 1.334 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.536 -9.360 2.205 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.336 -8.115 1.803 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.556 -8.100 2.082 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -19.707 -7.161 1.285 1.00 0.00 O ATOM 0 H GLU A 59 -17.418 -11.119 1.939 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.985 -12.105 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.347 -10.482 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.908 -10.652 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.752 -9.600 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.472 -9.133 2.144 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.528 -13.412 0.217 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.526 -14.592 -0.665 1.00 0.00 C ATOM 1061 C GLU A 60 -17.118 -15.144 -0.925 1.00 0.00 C ATOM 1062 O GLU A 60 -16.873 -16.331 -0.725 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.246 -14.268 -1.993 1.00 0.00 C ATOM 1064 CG GLU A 60 -19.114 -15.406 -3.021 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.250 -15.397 -4.046 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.081 -14.710 -5.078 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.260 -16.089 -3.788 1.00 0.00 O ATOM 0 H GLU A 60 -17.679 -12.852 0.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.071 -15.380 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.301 -14.080 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.833 -13.351 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -18.159 -15.316 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.105 -16.364 -2.500 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.210 -14.300 -1.428 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.857 -14.694 -1.828 1.00 0.00 C ATOM 1076 C GLY A 61 -14.548 -14.403 -3.299 1.00 0.00 C ATOM 1077 O GLY A 61 -13.388 -14.189 -3.633 1.00 0.00 O ATOM 0 H GLY A 61 -16.399 -13.308 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.134 -14.170 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.727 -15.760 -1.641 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.573 -14.296 -4.159 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.480 -13.821 -5.549 1.00 0.00 C ATOM 1083 C LEU A 62 -14.669 -12.519 -5.651 1.00 0.00 C ATOM 1084 O LEU A 62 -13.838 -12.374 -6.550 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.916 -13.687 -6.104 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.120 -12.725 -7.294 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.388 -13.165 -8.567 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.608 -12.606 -7.620 1.00 0.00 C ATOM 0 H LEU A 62 -16.526 -14.547 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.933 -14.540 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.256 -14.677 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.565 -13.362 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.702 -11.769 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.575 -12.443 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.317 -13.219 -8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.750 -14.146 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.743 -11.925 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.003 -13.588 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.141 -12.220 -6.751 1.00 0.00 H new ATOM 1100 N SER A 63 -14.843 -11.612 -4.682 1.00 0.00 N ATOM 1101 CA SER A 63 -14.066 -10.380 -4.556 1.00 0.00 C ATOM 1102 C SER A 63 -12.552 -10.560 -4.478 1.00 0.00 C ATOM 1103 O SER A 63 -11.859 -9.569 -4.691 1.00 0.00 O ATOM 1104 CB SER A 63 -14.573 -9.529 -3.398 1.00 0.00 C ATOM 1105 OG SER A 63 -15.709 -8.829 -3.856 1.00 0.00 O ATOM 0 H SER A 63 -15.544 -11.720 -3.949 1.00 0.00 H new ATOM 0 HA SER A 63 -14.232 -9.857 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.827 -10.156 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.802 -8.834 -3.066 1.00 0.00 H new ATOM 0 HG SER A 63 -16.520 -9.285 -3.548 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.023 -11.779 -4.293 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.628 -12.082 -4.622 1.00 0.00 C ATOM 1113 C VAL A 64 -10.337 -11.640 -6.053 1.00 0.00 C ATOM 1114 O VAL A 64 -9.544 -10.730 -6.239 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.279 -13.569 -4.388 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.990 -13.964 -5.115 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.122 -13.865 -2.891 1.00 0.00 C ATOM 0 H VAL A 64 -12.544 -12.571 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.983 -11.521 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.104 -14.157 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.775 -15.016 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.112 -13.803 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.164 -13.354 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.877 -14.918 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.322 -13.249 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.055 -13.639 -2.376 1.00 0.00 H new ATOM 1127 N SER A 65 -10.972 -12.237 -7.064 1.00 0.00 N ATOM 1128 CA SER A 65 -10.718 -11.812 -8.439 1.00 0.00 C ATOM 1129 C SER A 65 -11.495 -10.540 -8.784 1.00 0.00 C ATOM 1130 O SER A 65 -10.960 -9.690 -9.491 1.00 0.00 O ATOM 1131 CB SER A 65 -11.032 -12.936 -9.427 1.00 0.00 C ATOM 1132 OG SER A 65 -10.212 -12.786 -10.567 1.00 0.00 O ATOM 0 H SER A 65 -11.647 -12.995 -6.961 1.00 0.00 H new ATOM 0 HA SER A 65 -9.656 -11.579 -8.522 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.857 -13.906 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.084 -12.904 -9.712 1.00 0.00 H new ATOM 0 HG SER A 65 -9.273 -12.906 -10.313 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.731 -10.395 -8.283 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.618 -9.292 -8.657 1.00 0.00 C ATOM 1140 C GLU A 66 -13.139 -7.949 -8.106 1.00 0.00 C ATOM 1141 O GLU A 66 -12.998 -7.014 -8.884 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.063 -9.558 -8.205 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.093 -8.775 -9.030 1.00 0.00 C ATOM 1144 CD GLU A 66 -16.591 -9.592 -10.224 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -15.736 -9.939 -11.069 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -17.811 -9.859 -10.268 1.00 0.00 O ATOM 0 H GLU A 66 -13.140 -11.041 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.593 -9.235 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.274 -10.624 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.166 -9.290 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.937 -8.502 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.647 -7.846 -9.384 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.877 -7.816 -6.797 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.494 -6.525 -6.229 1.00 0.00 C ATOM 1155 C ALA A 67 -11.046 -6.144 -6.588 1.00 0.00 C ATOM 1156 O ALA A 67 -10.743 -4.956 -6.682 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.755 -6.495 -4.723 1.00 0.00 C ATOM 0 H ALA A 67 -12.924 -8.580 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.125 -5.759 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.462 -5.525 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.816 -6.661 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.173 -7.278 -4.237 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.178 -7.130 -6.874 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.884 -6.900 -7.531 1.00 0.00 C ATOM 1165 C ILE A 68 -9.107 -6.360 -8.948 1.00 0.00 C ATOM 1166 O ILE A 68 -8.606 -5.283 -9.267 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.985 -8.161 -7.505 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.592 -8.437 -6.038 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.720 -7.959 -8.363 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.729 -9.686 -5.803 1.00 0.00 C ATOM 0 H ILE A 68 -10.356 -8.110 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.338 -6.143 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.531 -9.007 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.054 -7.569 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.504 -8.532 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.108 -8.860 -8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.008 -7.758 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.148 -7.116 -7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.512 -9.784 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.267 -10.570 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.795 -9.592 -6.357 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.870 -7.063 -9.797 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.179 -6.580 -11.143 1.00 0.00 C ATOM 1184 C ALA A 69 -10.855 -5.199 -11.120 1.00 0.00 C ATOM 1185 O ALA A 69 -10.464 -4.343 -11.908 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.011 -7.625 -11.893 1.00 0.00 C ATOM 0 H ALA A 69 -10.283 -7.968 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.243 -6.441 -11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.238 -7.259 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.447 -8.555 -11.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.941 -7.805 -11.354 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.786 -4.947 -10.189 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.364 -3.630 -9.916 1.00 0.00 C ATOM 1194 C GLN A 70 -11.270 -2.615 -9.583 1.00 0.00 C ATOM 1195 O GLN A 70 -11.049 -1.729 -10.395 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.425 -3.676 -8.809 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.751 -4.307 -9.267 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.706 -4.565 -8.100 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.751 -3.851 -7.111 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.520 -5.601 -8.169 1.00 0.00 N ATOM 0 H GLN A 70 -12.167 -5.678 -9.589 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.870 -3.309 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.034 -4.241 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.615 -2.663 -8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.233 -3.649 -9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.545 -5.247 -9.780 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.500 -6.212 -8.986 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.169 -5.791 -7.406 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.539 -2.735 -8.464 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.555 -1.701 -8.096 1.00 0.00 C ATOM 1211 C VAL A 71 -8.463 -1.504 -9.166 1.00 0.00 C ATOM 1212 O VAL A 71 -7.947 -0.399 -9.309 1.00 0.00 O ATOM 1213 CB VAL A 71 -8.958 -1.946 -6.696 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.859 -3.014 -6.683 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.410 -0.640 -6.100 1.00 0.00 C ATOM 0 H VAL A 71 -10.606 -3.516 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.104 -0.761 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.779 -2.319 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.483 -3.136 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.268 -3.961 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.044 -2.705 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.994 -0.837 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.630 -0.243 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.217 0.088 -6.015 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.127 -2.541 -9.955 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.208 -2.412 -11.094 1.00 0.00 C ATOM 1227 C LYS A 72 -7.828 -1.773 -12.346 1.00 0.00 C ATOM 1228 O LYS A 72 -7.091 -1.142 -13.100 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.611 -3.771 -11.478 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.669 -4.370 -10.418 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.372 -4.972 -10.983 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.549 -5.971 -12.141 1.00 0.00 C ATOM 1233 NZ LYS A 72 -4.485 -5.312 -13.471 1.00 0.00 N ATOM 0 H LYS A 72 -8.485 -3.487 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.431 -1.734 -10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.424 -4.473 -11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.064 -3.663 -12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.410 -3.592 -9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.205 -5.145 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.734 -4.157 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.843 -5.473 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.775 -6.736 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.508 -6.479 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.449 -5.137 -13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.978 -4.408 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.983 -5.929 -14.141 1.00 0.00 H new ATOM 1247 N THR A 73 -9.124 -1.975 -12.615 1.00 0.00 N ATOM 1248 CA THR A 73 -9.837 -1.364 -13.755 1.00 0.00 C ATOM 1249 C THR A 73 -10.384 0.034 -13.417 1.00 0.00 C ATOM 1250 O THR A 73 -10.576 0.862 -14.305 1.00 0.00 O ATOM 1251 CB THR A 73 -10.927 -2.325 -14.279 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.155 -2.106 -15.648 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.292 -2.250 -13.591 1.00 0.00 C ATOM 0 H THR A 73 -9.719 -2.574 -12.043 1.00 0.00 H new ATOM 0 HA THR A 73 -9.121 -1.206 -14.562 1.00 0.00 H new ATOM 0 HB THR A 73 -10.512 -3.309 -14.058 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.847 -2.723 -15.967 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.970 -2.972 -14.047 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.178 -2.479 -12.531 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.702 -1.246 -13.704 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.586 0.321 -12.127 1.00 0.00 N ATOM 1262 CA GLU A 74 -10.880 1.640 -11.574 1.00 0.00 C ATOM 1263 C GLU A 74 -9.663 2.586 -11.653 1.00 0.00 C ATOM 1264 O GLU A 74 -8.516 2.136 -11.704 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.330 1.495 -10.106 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.795 1.054 -9.990 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.250 1.010 -8.525 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -12.759 0.126 -7.786 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -14.087 1.866 -8.157 1.00 0.00 O ATOM 0 H GLU A 74 -10.546 -0.400 -11.406 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.679 2.080 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.693 0.768 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.197 2.447 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.429 1.742 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.917 0.069 -10.441 1.00 0.00 H new ATOM 1276 N PRO A 75 -9.892 3.913 -11.640 1.00 0.00 N ATOM 1277 CA PRO A 75 -8.815 4.899 -11.651 1.00 0.00 C ATOM 1278 C PRO A 75 -8.099 4.997 -10.285 1.00 0.00 C ATOM 1279 O PRO A 75 -8.740 4.833 -9.244 1.00 0.00 O ATOM 1280 CB PRO A 75 -9.491 6.217 -12.044 1.00 0.00 C ATOM 1281 CG PRO A 75 -10.940 6.058 -11.582 1.00 0.00 C ATOM 1282 CD PRO A 75 -11.199 4.557 -11.663 1.00 0.00 C ATOM 0 HA PRO A 75 -8.026 4.625 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.012 7.068 -11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.434 6.387 -13.119 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.077 6.431 -10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.625 6.615 -12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.812 4.223 -10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.740 4.305 -12.575 1.00 0.00 H new ATOM 1290 N PRO A 76 -6.786 5.310 -10.262 1.00 0.00 N ATOM 1291 CA PRO A 76 -6.025 5.515 -9.027 1.00 0.00 C ATOM 1292 C PRO A 76 -6.381 6.846 -8.346 1.00 0.00 C ATOM 1293 O PRO A 76 -6.965 7.739 -8.967 1.00 0.00 O ATOM 1294 CB PRO A 76 -4.555 5.472 -9.455 1.00 0.00 C ATOM 1295 CG PRO A 76 -4.586 6.002 -10.888 1.00 0.00 C ATOM 1296 CD PRO A 76 -5.932 5.515 -11.424 1.00 0.00 C ATOM 0 HA PRO A 76 -6.253 4.751 -8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.931 6.092 -8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.153 4.460 -9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.514 7.089 -10.915 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.756 5.613 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.368 6.248 -12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.814 4.590 -11.988 1.00 0.00 H new ATOM 1304 N ARG A 77 -6.034 6.976 -7.055 1.00 0.00 N ATOM 1305 CA ARG A 77 -6.412 8.136 -6.236 1.00 0.00 C ATOM 1306 C ARG A 77 -5.516 8.317 -5.002 1.00 0.00 C ATOM 1307 O ARG A 77 -5.839 7.859 -3.907 1.00 0.00 O ATOM 1308 CB ARG A 77 -7.925 8.059 -5.896 1.00 0.00 C ATOM 1309 CG ARG A 77 -8.635 9.382 -6.214 1.00 0.00 C ATOM 1310 CD ARG A 77 -8.373 10.438 -5.134 1.00 0.00 C ATOM 1311 NE ARG A 77 -8.340 11.799 -5.697 1.00 0.00 N ATOM 1312 CZ ARG A 77 -8.160 12.917 -5.008 1.00 0.00 C ATOM 1313 NH1 ARG A 77 -7.999 12.906 -3.708 1.00 0.00 N ATOM 1314 NH2 ARG A 77 -8.139 14.077 -5.624 1.00 0.00 N ATOM 0 H ARG A 77 -5.484 6.280 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.244 9.041 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.387 7.250 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.051 7.821 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.294 9.756 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.708 9.208 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.150 10.379 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.425 10.226 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.467 11.889 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.010 12.021 -3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.862 13.782 -3.204 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.261 14.119 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.000 14.935 -5.091 1.00 0.00 H new ATOM 1328 N GLU A 78 -4.401 9.018 -5.196 1.00 0.00 N ATOM 1329 CA GLU A 78 -3.573 9.604 -4.132 1.00 0.00 C ATOM 1330 C GLU A 78 -4.211 10.866 -3.494 1.00 0.00 C ATOM 1331 O GLU A 78 -3.592 11.390 -2.542 1.00 0.00 O ATOM 1332 CB GLU A 78 -2.150 9.862 -4.676 1.00 0.00 C ATOM 1333 CG GLU A 78 -1.420 8.584 -5.148 1.00 0.00 C ATOM 1334 CD GLU A 78 -1.631 8.279 -6.644 1.00 0.00 C ATOM 1335 OE1 GLU A 78 -2.655 7.634 -6.991 1.00 0.00 O ATOM 1336 OE2 GLU A 78 -0.775 8.710 -7.447 1.00 0.00 O ATOM 1337 OXT GLU A 78 -5.319 11.283 -3.921 1.00 0.00 O ATOM 0 H GLU A 78 -4.032 9.203 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.507 8.887 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.211 10.562 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.556 10.342 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.353 8.690 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.769 7.736 -4.559 1.00 0.00 H new TER 1344 GLU A 78