USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.159 USER MOD Single : A 3 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -120:sc= 0.291 USER MOD Single : A 27 THR OG1 : rot 113:sc= 0.923 USER MOD Single : A 28 SER OG : rot 180:sc= -0.165 USER MOD Single : A 29 THR OG1 : rot 103:sc= 1.02 USER MOD Single : A 31 THR OG1 : rot 71:sc= 0.961 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -4.58! C(o=-5.9!,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.274 (180deg=-1.05) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.1!) USER MOD Single : A 68 THR OG1 : rot 105:sc= -4.46! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 80 HIS : no HE2:sc= -11.9! C(o=-12!,f=-16!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.55 F(o=-1.6,f=-0.55) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.235 20.983 6.780 1.00 0.00 N ATOM 2 CA GLY A 1 3.338 21.525 7.555 1.00 0.00 C ATOM 3 C GLY A 1 4.683 21.151 6.930 1.00 0.00 C ATOM 4 O GLY A 1 5.052 19.978 6.897 1.00 0.00 O ATOM 0 H1 GLY A 1 1.334 21.251 7.225 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.270 21.364 5.813 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.310 19.946 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.249 22.610 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.290 21.147 8.576 1.00 0.00 H new ATOM 8 N SER A 2 5.380 22.171 6.450 1.00 0.00 N ATOM 9 CA SER A 2 6.676 21.964 5.827 1.00 0.00 C ATOM 10 C SER A 2 7.756 22.721 6.603 1.00 0.00 C ATOM 11 O SER A 2 7.637 22.913 7.812 1.00 0.00 O ATOM 12 CB SER A 2 6.663 22.411 4.364 1.00 0.00 C ATOM 13 OG SER A 2 6.655 23.830 4.240 1.00 0.00 O ATOM 0 H SER A 2 5.071 23.143 6.480 1.00 0.00 H new ATOM 0 HA SER A 2 6.900 20.897 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.538 22.007 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.785 21.999 3.867 1.00 0.00 H new ATOM 0 HG SER A 2 6.649 24.075 3.291 1.00 0.00 H new ATOM 19 N HIS A 3 8.785 23.131 5.876 1.00 0.00 N ATOM 20 CA HIS A 3 9.885 23.862 6.481 1.00 0.00 C ATOM 21 C HIS A 3 10.736 22.908 7.322 1.00 0.00 C ATOM 22 O HIS A 3 11.864 22.587 6.952 1.00 0.00 O ATOM 23 CB HIS A 3 9.366 25.057 7.284 1.00 0.00 C ATOM 24 CG HIS A 3 10.290 26.252 7.272 1.00 0.00 C ATOM 25 ND1 HIS A 3 9.832 27.554 7.380 1.00 0.00 N ATOM 26 CD2 HIS A 3 11.647 26.328 7.166 1.00 0.00 C ATOM 27 CE1 HIS A 3 10.876 28.369 7.339 1.00 0.00 C ATOM 28 NE2 HIS A 3 12.000 27.607 7.205 1.00 0.00 N ATOM 0 H HIS A 3 8.880 22.971 4.873 1.00 0.00 H new ATOM 0 HA HIS A 3 10.526 24.272 5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.396 25.356 6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.204 24.746 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.321 25.490 7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.843 29.447 7.401 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.954 27.962 7.145 1.00 0.00 H new ATOM 36 N MET A 4 10.162 22.481 8.437 1.00 0.00 N ATOM 37 CA MET A 4 10.853 21.570 9.333 1.00 0.00 C ATOM 38 C MET A 4 10.559 20.113 8.968 1.00 0.00 C ATOM 39 O MET A 4 9.430 19.648 9.118 1.00 0.00 O ATOM 40 CB MET A 4 10.410 21.835 10.773 1.00 0.00 C ATOM 41 CG MET A 4 11.493 21.411 11.767 1.00 0.00 C ATOM 42 SD MET A 4 12.001 22.812 12.750 1.00 0.00 S ATOM 43 CE MET A 4 13.713 22.932 12.256 1.00 0.00 C ATOM 0 H MET A 4 9.226 22.749 8.740 1.00 0.00 H new ATOM 0 HA MET A 4 11.925 21.740 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.190 22.895 10.900 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.489 21.291 10.980 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.115 20.620 12.414 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.350 21.002 11.232 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.185 23.763 12.780 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.230 22.005 12.505 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.770 23.101 11.181 1.00 0.00 H new ATOM 53 N LEU A 5 11.594 19.435 8.495 1.00 0.00 N ATOM 54 CA LEU A 5 11.460 18.041 8.107 1.00 0.00 C ATOM 55 C LEU A 5 11.466 17.164 9.361 1.00 0.00 C ATOM 56 O LEU A 5 11.036 16.013 9.320 1.00 0.00 O ATOM 57 CB LEU A 5 12.537 17.663 7.088 1.00 0.00 C ATOM 58 CG LEU A 5 12.301 18.142 5.654 1.00 0.00 C ATOM 59 CD1 LEU A 5 13.263 19.275 5.289 1.00 0.00 C ATOM 60 CD2 LEU A 5 12.386 16.978 4.665 1.00 0.00 C ATOM 0 H LEU A 5 12.529 19.825 8.372 1.00 0.00 H new ATOM 0 HA LEU A 5 10.506 17.875 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 5 13.491 18.064 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.633 16.577 7.076 1.00 0.00 H new ATOM 0 HG LEU A 5 11.290 18.544 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.074 19.597 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 5 13.110 20.115 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.291 18.922 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 5 12.214 17.347 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 5 13.375 16.523 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.629 16.234 4.913 1.00 0.00 H new ATOM 72 N ARG A 6 11.959 17.743 10.446 1.00 0.00 N ATOM 73 CA ARG A 6 12.027 17.029 11.710 1.00 0.00 C ATOM 74 C ARG A 6 10.638 16.944 12.347 1.00 0.00 C ATOM 75 O ARG A 6 10.236 15.887 12.830 1.00 0.00 O ATOM 76 CB ARG A 6 12.985 17.720 12.682 1.00 0.00 C ATOM 77 CG ARG A 6 14.092 16.764 13.133 1.00 0.00 C ATOM 78 CD ARG A 6 13.803 16.211 14.530 1.00 0.00 C ATOM 79 NE ARG A 6 14.073 14.756 14.564 1.00 0.00 N ATOM 80 CZ ARG A 6 14.277 14.050 15.696 1.00 0.00 C ATOM 81 NH1 ARG A 6 14.243 14.661 16.900 1.00 0.00 N ATOM 82 NH2 ARG A 6 14.509 12.754 15.609 1.00 0.00 N ATOM 0 H ARG A 6 12.315 18.698 10.476 1.00 0.00 H new ATOM 0 HA ARG A 6 12.398 16.025 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.427 18.594 12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.432 18.078 13.551 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.179 15.941 12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.049 17.285 13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.422 16.722 15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.764 16.403 14.798 1.00 0.00 H new ATOM 0 HE ARG A 6 14.107 14.255 13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.062 15.663 16.958 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.398 14.120 17.751 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.532 12.300 14.696 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.665 12.206 16.455 1.00 0.00 H new ATOM 95 N ASP A 7 9.943 18.072 12.327 1.00 0.00 N ATOM 96 CA ASP A 7 8.608 18.139 12.896 1.00 0.00 C ATOM 97 C ASP A 7 7.579 17.810 11.812 1.00 0.00 C ATOM 98 O ASP A 7 6.496 18.392 11.782 1.00 0.00 O ATOM 99 CB ASP A 7 8.305 19.542 13.426 1.00 0.00 C ATOM 100 CG ASP A 7 7.445 19.583 14.691 1.00 0.00 C ATOM 101 OD1 ASP A 7 6.231 19.337 14.646 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.080 19.888 15.772 1.00 0.00 O ATOM 0 H ASP A 7 10.280 18.947 11.925 1.00 0.00 H new ATOM 0 HA ASP A 7 8.555 17.424 13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.248 20.049 13.629 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.801 20.109 12.643 1.00 0.00 H new ATOM 108 N ARG A 8 7.954 16.877 10.949 1.00 0.00 N ATOM 109 CA ARG A 8 7.077 16.464 9.867 1.00 0.00 C ATOM 110 C ARG A 8 6.016 15.491 10.385 1.00 0.00 C ATOM 111 O ARG A 8 4.826 15.676 10.138 1.00 0.00 O ATOM 112 CB ARG A 8 7.869 15.793 8.742 1.00 0.00 C ATOM 113 CG ARG A 8 7.912 16.681 7.497 1.00 0.00 C ATOM 114 CD ARG A 8 8.612 15.967 6.339 1.00 0.00 C ATOM 115 NE ARG A 8 8.541 16.796 5.115 1.00 0.00 N ATOM 116 CZ ARG A 8 8.807 16.339 3.873 1.00 0.00 C ATOM 117 NH1 ARG A 8 9.165 15.051 3.680 1.00 0.00 N ATOM 118 NH2 ARG A 8 8.712 17.168 2.851 1.00 0.00 N ATOM 0 H ARG A 8 8.853 16.396 10.977 1.00 0.00 H new ATOM 0 HA ARG A 8 6.593 17.358 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.884 15.586 9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.414 14.834 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.898 16.951 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.435 17.610 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.653 15.773 6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.142 15.000 6.161 1.00 0.00 H new ATOM 0 HE ARG A 8 8.274 17.775 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.236 14.417 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.364 14.713 2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.441 18.139 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.910 16.838 1.906 1.00 0.00 H new ATOM 131 N LEU A 9 6.487 14.475 11.094 1.00 0.00 N ATOM 132 CA LEU A 9 5.593 13.473 11.649 1.00 0.00 C ATOM 133 C LEU A 9 4.388 14.167 12.285 1.00 0.00 C ATOM 134 O LEU A 9 3.253 13.720 12.124 1.00 0.00 O ATOM 135 CB LEU A 9 6.351 12.553 12.609 1.00 0.00 C ATOM 136 CG LEU A 9 7.708 12.044 12.119 1.00 0.00 C ATOM 137 CD1 LEU A 9 8.838 12.536 13.026 1.00 0.00 C ATOM 138 CD2 LEU A 9 7.705 10.520 11.983 1.00 0.00 C ATOM 0 H LEU A 9 7.475 14.324 11.297 1.00 0.00 H new ATOM 0 HA LEU A 9 5.208 12.826 10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.503 13.086 13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.720 11.692 12.829 1.00 0.00 H new ATOM 0 HG LEU A 9 7.889 12.456 11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.792 12.160 12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.854 13.626 13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.674 12.173 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.681 10.184 11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.492 10.069 12.952 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.940 10.220 11.267 1.00 0.00 H new ATOM 150 N ALA A 10 4.674 15.248 12.995 1.00 0.00 N ATOM 151 CA ALA A 10 3.627 16.009 13.656 1.00 0.00 C ATOM 152 C ALA A 10 2.708 16.627 12.601 1.00 0.00 C ATOM 153 O ALA A 10 2.606 17.849 12.501 1.00 0.00 O ATOM 154 CB ALA A 10 4.260 17.062 14.568 1.00 0.00 C ATOM 0 H ALA A 10 5.616 15.615 13.127 1.00 0.00 H new ATOM 0 HA ALA A 10 3.017 15.359 14.283 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.475 17.633 15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.879 16.569 15.318 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.877 17.735 13.973 1.00 0.00 H new ATOM 160 N GLY A 11 2.062 15.755 11.841 1.00 0.00 N ATOM 161 CA GLY A 11 1.154 16.201 10.798 1.00 0.00 C ATOM 162 C GLY A 11 0.726 15.032 9.908 1.00 0.00 C ATOM 163 O GLY A 11 -0.344 15.068 9.302 1.00 0.00 O ATOM 0 H GLY A 11 2.149 14.742 11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.274 16.661 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.639 16.966 10.192 1.00 0.00 H new ATOM 167 N LEU A 12 1.583 14.023 9.858 1.00 0.00 N ATOM 168 CA LEU A 12 1.306 12.845 9.053 1.00 0.00 C ATOM 169 C LEU A 12 0.744 13.279 7.698 1.00 0.00 C ATOM 170 O LEU A 12 -0.469 13.396 7.534 1.00 0.00 O ATOM 171 CB LEU A 12 0.398 11.877 9.814 1.00 0.00 C ATOM 172 CG LEU A 12 0.923 11.384 11.164 1.00 0.00 C ATOM 173 CD1 LEU A 12 0.514 12.334 12.291 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.476 9.946 11.434 1.00 0.00 C ATOM 0 H LEU A 12 2.470 13.997 10.362 1.00 0.00 H new ATOM 0 HA LEU A 12 2.226 12.294 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.563 12.364 9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.213 11.010 9.180 1.00 0.00 H new ATOM 0 HG LEU A 12 2.012 11.380 11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.900 11.961 13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.924 13.325 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.573 12.394 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.863 9.620 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.613 9.899 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.860 9.293 10.650 1.00 0.00 H new ATOM 186 N PRO A 13 1.678 13.513 6.737 1.00 0.00 N ATOM 187 CA PRO A 13 1.288 13.932 5.401 1.00 0.00 C ATOM 188 C PRO A 13 0.711 12.759 4.605 1.00 0.00 C ATOM 189 O PRO A 13 0.333 11.740 5.181 1.00 0.00 O ATOM 190 CB PRO A 13 2.554 14.503 4.783 1.00 0.00 C ATOM 191 CG PRO A 13 3.705 13.963 5.616 1.00 0.00 C ATOM 192 CD PRO A 13 3.123 13.384 6.896 1.00 0.00 C ATOM 0 HA PRO A 13 0.493 14.678 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.651 14.200 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.539 15.593 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.249 13.197 5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.416 14.757 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.415 12.342 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.475 13.928 7.773 1.00 0.00 H new ATOM 200 N ARG A 14 0.663 12.943 3.294 1.00 0.00 N ATOM 201 CA ARG A 14 0.138 11.913 2.413 1.00 0.00 C ATOM 202 C ARG A 14 0.867 10.589 2.652 1.00 0.00 C ATOM 203 O ARG A 14 0.233 9.549 2.822 1.00 0.00 O ATOM 204 CB ARG A 14 0.292 12.314 0.945 1.00 0.00 C ATOM 205 CG ARG A 14 -0.766 11.629 0.076 1.00 0.00 C ATOM 206 CD ARG A 14 -0.849 12.283 -1.305 1.00 0.00 C ATOM 207 NE ARG A 14 -1.476 11.352 -2.269 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.733 11.657 -3.558 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.418 12.875 -4.050 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.297 10.748 -4.331 1.00 0.00 N ATOM 0 H ARG A 14 0.979 13.789 2.820 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.922 11.794 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.202 13.396 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.288 12.044 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.524 10.572 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.737 11.685 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.429 13.204 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.149 12.557 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.730 10.421 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.983 13.572 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.616 13.098 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.532 9.831 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.498 10.963 -5.308 1.00 0.00 H new ATOM 223 N ALA A 15 2.189 10.671 2.657 1.00 0.00 N ATOM 224 CA ALA A 15 3.011 9.492 2.872 1.00 0.00 C ATOM 225 C ALA A 15 2.514 8.748 4.114 1.00 0.00 C ATOM 226 O ALA A 15 2.101 7.593 4.026 1.00 0.00 O ATOM 227 CB ALA A 15 4.479 9.907 2.990 1.00 0.00 C ATOM 0 H ALA A 15 2.712 11.535 2.516 1.00 0.00 H new ATOM 0 HA ALA A 15 2.932 8.810 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.095 9.023 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.791 10.404 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.598 10.590 3.831 1.00 0.00 H new ATOM 233 N GLU A 16 2.570 9.442 5.242 1.00 0.00 N ATOM 234 CA GLU A 16 2.131 8.862 6.499 1.00 0.00 C ATOM 235 C GLU A 16 0.690 8.361 6.378 1.00 0.00 C ATOM 236 O GLU A 16 0.352 7.301 6.902 1.00 0.00 O ATOM 237 CB GLU A 16 2.268 9.868 7.644 1.00 0.00 C ATOM 238 CG GLU A 16 3.686 9.856 8.218 1.00 0.00 C ATOM 239 CD GLU A 16 3.819 8.816 9.332 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.803 8.336 9.857 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.031 8.507 9.648 1.00 0.00 O ATOM 0 H GLU A 16 2.913 10.400 5.311 1.00 0.00 H new ATOM 0 HA GLU A 16 2.772 8.011 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.026 10.868 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.552 9.629 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.401 9.638 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.933 10.844 8.607 1.00 0.00 H new ATOM 249 N ARG A 17 -0.120 9.148 5.685 1.00 0.00 N ATOM 250 CA ARG A 17 -1.516 8.798 5.489 1.00 0.00 C ATOM 251 C ARG A 17 -1.630 7.500 4.687 1.00 0.00 C ATOM 252 O ARG A 17 -2.384 6.602 5.057 1.00 0.00 O ATOM 253 CB ARG A 17 -2.265 9.911 4.755 1.00 0.00 C ATOM 254 CG ARG A 17 -3.747 9.920 5.136 1.00 0.00 C ATOM 255 CD ARG A 17 -4.589 9.207 4.076 1.00 0.00 C ATOM 256 NE ARG A 17 -5.526 10.165 3.446 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.655 10.615 4.031 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.999 10.198 5.268 1.00 0.00 N ATOM 259 NH2 ARG A 17 -7.419 11.470 3.376 1.00 0.00 N ATOM 0 H ARG A 17 0.164 10.027 5.252 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.965 8.662 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.818 10.875 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.164 9.774 3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.881 9.432 6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.091 10.948 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.940 8.769 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.145 8.388 4.532 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.304 10.506 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.403 9.538 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.854 10.543 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.152 11.780 2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.276 11.820 3.804 1.00 0.00 H new ATOM 272 N THR A 18 -0.870 7.443 3.603 1.00 0.00 N ATOM 273 CA THR A 18 -0.877 6.271 2.745 1.00 0.00 C ATOM 274 C THR A 18 -0.341 5.054 3.501 1.00 0.00 C ATOM 275 O THR A 18 -0.921 3.972 3.435 1.00 0.00 O ATOM 276 CB THR A 18 -0.077 6.603 1.484 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.989 7.347 0.680 1.00 0.00 O ATOM 278 CG2 THR A 18 0.234 5.363 0.644 1.00 0.00 C ATOM 0 H THR A 18 -0.245 8.190 3.300 1.00 0.00 H new ATOM 0 HA THR A 18 -1.891 6.007 2.444 1.00 0.00 H new ATOM 0 HB THR A 18 0.855 7.094 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.125 6.885 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.803 5.655 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.819 4.659 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.698 4.890 0.335 1.00 0.00 H new ATOM 286 N ALA A 19 0.762 5.272 4.204 1.00 0.00 N ATOM 287 CA ALA A 19 1.383 4.206 4.972 1.00 0.00 C ATOM 288 C ALA A 19 0.517 3.893 6.193 1.00 0.00 C ATOM 289 O ALA A 19 0.601 2.802 6.755 1.00 0.00 O ATOM 290 CB ALA A 19 2.806 4.616 5.356 1.00 0.00 C ATOM 0 H ALA A 19 1.241 6.171 4.257 1.00 0.00 H new ATOM 0 HA ALA A 19 1.455 3.296 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.272 3.817 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.388 4.799 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.773 5.525 5.957 1.00 0.00 H new ATOM 296 N GLU A 20 -0.296 4.869 6.569 1.00 0.00 N ATOM 297 CA GLU A 20 -1.177 4.711 7.714 1.00 0.00 C ATOM 298 C GLU A 20 -2.355 3.803 7.356 1.00 0.00 C ATOM 299 O GLU A 20 -2.755 2.955 8.152 1.00 0.00 O ATOM 300 CB GLU A 20 -1.665 6.069 8.222 1.00 0.00 C ATOM 301 CG GLU A 20 -2.747 5.898 9.290 1.00 0.00 C ATOM 302 CD GLU A 20 -2.531 6.873 10.449 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.872 7.909 10.274 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.077 6.523 11.565 1.00 0.00 O ATOM 0 H GLU A 20 -0.363 5.773 6.101 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.613 4.241 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.826 6.629 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.059 6.652 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.729 6.065 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.735 4.874 9.664 1.00 0.00 H new ATOM 312 N LEU A 21 -2.878 4.012 6.156 1.00 0.00 N ATOM 313 CA LEU A 21 -4.003 3.223 5.683 1.00 0.00 C ATOM 314 C LEU A 21 -3.550 1.778 5.464 1.00 0.00 C ATOM 315 O LEU A 21 -4.327 0.844 5.657 1.00 0.00 O ATOM 316 CB LEU A 21 -4.625 3.867 4.442 1.00 0.00 C ATOM 317 CG LEU A 21 -5.978 4.551 4.649 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.832 6.073 4.628 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.003 4.059 3.624 1.00 0.00 C ATOM 0 H LEU A 21 -2.544 4.716 5.498 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.794 3.200 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.924 4.603 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.742 3.099 3.678 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.352 4.277 5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.808 6.534 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.158 6.385 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.426 6.386 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.956 4.560 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.648 4.283 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.136 2.982 3.730 1.00 0.00 H new ATOM 331 N VAL A 22 -2.295 1.639 5.064 1.00 0.00 N ATOM 332 CA VAL A 22 -1.729 0.323 4.817 1.00 0.00 C ATOM 333 C VAL A 22 -1.675 -0.459 6.131 1.00 0.00 C ATOM 334 O VAL A 22 -2.143 -1.594 6.202 1.00 0.00 O ATOM 335 CB VAL A 22 -0.362 0.459 4.145 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.478 -0.804 4.349 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.511 0.784 2.658 1.00 0.00 C ATOM 0 H VAL A 22 -1.654 2.416 4.905 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.359 -0.241 4.129 1.00 0.00 H new ATOM 0 HB VAL A 22 0.162 1.290 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.445 -0.681 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.628 -0.973 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.040 -1.660 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.476 0.875 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.064 -0.015 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.051 1.724 2.543 1.00 0.00 H new ATOM 347 N ARG A 23 -1.099 0.180 7.139 1.00 0.00 N ATOM 348 CA ARG A 23 -0.977 -0.441 8.447 1.00 0.00 C ATOM 349 C ARG A 23 -2.354 -0.865 8.964 1.00 0.00 C ATOM 350 O ARG A 23 -2.493 -1.924 9.575 1.00 0.00 O ATOM 351 CB ARG A 23 -0.335 0.515 9.454 1.00 0.00 C ATOM 352 CG ARG A 23 0.905 -0.114 10.093 1.00 0.00 C ATOM 353 CD ARG A 23 0.725 -0.267 11.604 1.00 0.00 C ATOM 354 NE ARG A 23 1.283 0.913 12.303 1.00 0.00 N ATOM 355 CZ ARG A 23 2.601 1.196 12.375 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.509 0.385 11.792 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.989 2.277 13.026 1.00 0.00 N ATOM 0 H ARG A 23 -0.712 1.122 7.076 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.339 -1.318 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.060 1.444 8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.057 0.772 10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.094 -1.090 9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.778 0.506 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.333 -0.375 11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.224 -1.173 11.948 1.00 0.00 H new ATOM 0 HE ARG A 23 0.631 1.552 12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.201 -0.449 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.503 0.606 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.297 2.884 13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.981 2.505 13.090 1.00 0.00 H new ATOM 370 N LEU A 24 -3.337 -0.017 8.699 1.00 0.00 N ATOM 371 CA LEU A 24 -4.697 -0.291 9.130 1.00 0.00 C ATOM 372 C LEU A 24 -5.303 -1.373 8.234 1.00 0.00 C ATOM 373 O LEU A 24 -6.056 -2.224 8.705 1.00 0.00 O ATOM 374 CB LEU A 24 -5.516 1.002 9.173 1.00 0.00 C ATOM 375 CG LEU A 24 -6.981 0.854 9.589 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.781 0.104 8.522 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.097 0.192 10.963 1.00 0.00 C ATOM 0 H LEU A 24 -3.219 0.860 8.191 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.703 -0.679 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.031 1.693 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.484 1.462 8.185 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.414 1.851 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.819 0.013 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.739 0.654 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.356 -0.890 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.149 0.099 11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.642 -0.798 10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.583 0.803 11.706 1.00 0.00 H new ATOM 389 N VAL A 25 -4.952 -1.305 6.958 1.00 0.00 N ATOM 390 CA VAL A 25 -5.452 -2.269 5.993 1.00 0.00 C ATOM 391 C VAL A 25 -5.101 -3.682 6.460 1.00 0.00 C ATOM 392 O VAL A 25 -5.977 -4.539 6.571 1.00 0.00 O ATOM 393 CB VAL A 25 -4.905 -1.946 4.601 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.748 -3.218 3.765 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.793 -0.926 3.885 1.00 0.00 C ATOM 0 H VAL A 25 -4.328 -0.598 6.570 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.538 -2.211 5.923 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.917 -1.502 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.358 -2.960 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.057 -3.898 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.718 -3.703 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.381 -0.714 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.800 -1.331 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.832 -0.005 4.467 1.00 0.00 H new ATOM 405 N ARG A 26 -3.818 -3.883 6.723 1.00 0.00 N ATOM 406 CA ARG A 26 -3.340 -5.178 7.176 1.00 0.00 C ATOM 407 C ARG A 26 -3.948 -5.521 8.537 1.00 0.00 C ATOM 408 O ARG A 26 -4.809 -6.395 8.634 1.00 0.00 O ATOM 409 CB ARG A 26 -1.814 -5.194 7.288 1.00 0.00 C ATOM 410 CG ARG A 26 -1.238 -6.505 6.750 1.00 0.00 C ATOM 411 CD ARG A 26 -0.125 -6.239 5.735 1.00 0.00 C ATOM 412 NE ARG A 26 1.186 -6.613 6.313 1.00 0.00 N ATOM 413 CZ ARG A 26 1.865 -5.856 7.201 1.00 0.00 C ATOM 414 NH1 ARG A 26 1.362 -4.675 7.621 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.028 -6.287 7.652 1.00 0.00 N ATOM 0 H ARG A 26 -3.094 -3.170 6.631 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.646 -5.921 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.396 -4.354 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.521 -5.064 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.848 -7.101 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.030 -7.089 6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.307 -6.811 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.121 -5.186 5.455 1.00 0.00 H new ATOM 0 HE ARG A 26 1.602 -7.498 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.463 -4.349 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.881 -4.109 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.401 -7.180 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.554 -5.727 8.323 1.00 0.00 H new ATOM 428 N THR A 27 -3.477 -4.816 9.555 1.00 0.00 N ATOM 429 CA THR A 27 -3.964 -5.035 10.906 1.00 0.00 C ATOM 430 C THR A 27 -5.470 -5.307 10.893 1.00 0.00 C ATOM 431 O THR A 27 -5.979 -6.041 11.739 1.00 0.00 O ATOM 432 CB THR A 27 -3.573 -3.822 11.753 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.242 -3.525 11.339 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.434 -4.164 13.237 1.00 0.00 C ATOM 0 H THR A 27 -2.763 -4.092 9.471 1.00 0.00 H new ATOM 0 HA THR A 27 -3.509 -5.920 11.351 1.00 0.00 H new ATOM 0 HB THR A 27 -4.320 -3.038 11.630 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.229 -2.663 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.155 -3.268 13.792 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.384 -4.544 13.613 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.663 -4.924 13.365 1.00 0.00 H new ATOM 442 N SER A 28 -6.140 -4.700 9.924 1.00 0.00 N ATOM 443 CA SER A 28 -7.577 -4.867 9.790 1.00 0.00 C ATOM 444 C SER A 28 -7.886 -6.188 9.083 1.00 0.00 C ATOM 445 O SER A 28 -8.686 -6.985 9.571 1.00 0.00 O ATOM 446 CB SER A 28 -8.198 -3.697 9.025 1.00 0.00 C ATOM 447 OG SER A 28 -9.593 -3.886 8.802 1.00 0.00 O ATOM 0 H SER A 28 -5.714 -4.092 9.224 1.00 0.00 H new ATOM 0 HA SER A 28 -8.014 -4.886 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.042 -2.774 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.690 -3.579 8.068 1.00 0.00 H new ATOM 0 HG SER A 28 -9.953 -3.117 8.312 1.00 0.00 H new ATOM 453 N THR A 29 -7.236 -6.380 7.945 1.00 0.00 N ATOM 454 CA THR A 29 -7.432 -7.591 7.166 1.00 0.00 C ATOM 455 C THR A 29 -7.330 -8.825 8.064 1.00 0.00 C ATOM 456 O THR A 29 -8.027 -9.815 7.847 1.00 0.00 O ATOM 457 CB THR A 29 -6.416 -7.586 6.022 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.742 -6.419 5.272 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.638 -8.736 5.037 1.00 0.00 C ATOM 0 H THR A 29 -6.573 -5.717 7.543 1.00 0.00 H new ATOM 0 HA THR A 29 -8.431 -7.625 6.732 1.00 0.00 H new ATOM 0 HB THR A 29 -5.408 -7.648 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.098 -5.709 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.891 -8.686 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.548 -9.687 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.634 -8.655 4.602 1.00 0.00 H new ATOM 467 N ALA A 30 -6.454 -8.727 9.054 1.00 0.00 N ATOM 468 CA ALA A 30 -6.252 -9.823 9.986 1.00 0.00 C ATOM 469 C ALA A 30 -7.330 -9.770 11.070 1.00 0.00 C ATOM 470 O ALA A 30 -7.739 -10.805 11.595 1.00 0.00 O ATOM 471 CB ALA A 30 -4.838 -9.746 10.566 1.00 0.00 C ATOM 0 H ALA A 30 -5.876 -7.905 9.231 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.344 -10.782 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.686 -10.568 11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.109 -9.817 9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.710 -8.798 11.088 1.00 0.00 H new ATOM 477 N THR A 31 -7.760 -8.554 11.374 1.00 0.00 N ATOM 478 CA THR A 31 -8.783 -8.353 12.387 1.00 0.00 C ATOM 479 C THR A 31 -10.148 -8.802 11.862 1.00 0.00 C ATOM 480 O THR A 31 -10.836 -9.592 12.506 1.00 0.00 O ATOM 481 CB THR A 31 -8.747 -6.883 12.809 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.488 -6.740 13.462 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.771 -6.563 13.900 1.00 0.00 C ATOM 0 H THR A 31 -7.419 -7.698 10.937 1.00 0.00 H new ATOM 0 HA THR A 31 -8.593 -8.964 13.269 1.00 0.00 H new ATOM 0 HB THR A 31 -8.932 -6.251 11.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.768 -6.788 12.799 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.704 -5.507 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.774 -6.783 13.534 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.566 -7.171 14.781 1.00 0.00 H new ATOM 491 N VAL A 32 -10.500 -8.277 10.697 1.00 0.00 N ATOM 492 CA VAL A 32 -11.770 -8.614 10.078 1.00 0.00 C ATOM 493 C VAL A 32 -11.988 -10.126 10.159 1.00 0.00 C ATOM 494 O VAL A 32 -13.044 -10.582 10.595 1.00 0.00 O ATOM 495 CB VAL A 32 -11.812 -8.080 8.644 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.437 -8.184 7.981 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.875 -8.808 7.819 1.00 0.00 C ATOM 0 H VAL A 32 -9.927 -7.621 10.166 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.592 -8.138 10.612 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.085 -7.026 8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.494 -7.798 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.713 -7.601 8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.123 -9.227 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.884 -8.410 6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.646 -9.873 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.854 -8.661 8.275 1.00 0.00 H new ATOM 507 N LEU A 33 -10.972 -10.862 9.733 1.00 0.00 N ATOM 508 CA LEU A 33 -11.039 -12.313 9.752 1.00 0.00 C ATOM 509 C LEU A 33 -11.070 -12.799 11.203 1.00 0.00 C ATOM 510 O LEU A 33 -11.639 -13.849 11.497 1.00 0.00 O ATOM 511 CB LEU A 33 -9.898 -12.913 8.927 1.00 0.00 C ATOM 512 CG LEU A 33 -10.112 -12.948 7.413 1.00 0.00 C ATOM 513 CD1 LEU A 33 -8.775 -12.986 6.671 1.00 0.00 C ATOM 514 CD2 LEU A 33 -11.022 -14.112 7.014 1.00 0.00 C ATOM 0 H LEU A 33 -10.098 -10.480 9.373 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.959 -12.658 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.990 -12.346 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.723 -13.932 9.273 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.618 -12.028 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.956 -13.010 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.195 -12.098 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.220 -13.877 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.158 -14.114 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.567 -15.053 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.991 -14.000 7.501 1.00 0.00 H new ATOM 526 N GLY A 34 -10.452 -12.011 12.070 1.00 0.00 N ATOM 527 CA GLY A 34 -10.402 -12.348 13.483 1.00 0.00 C ATOM 528 C GLY A 34 -9.087 -11.881 14.111 1.00 0.00 C ATOM 529 O GLY A 34 -9.088 -11.046 15.015 1.00 0.00 O ATOM 0 H GLY A 34 -9.982 -11.141 11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.242 -11.885 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.506 -13.426 13.608 1.00 0.00 H new ATOM 533 N HIS A 35 -7.996 -12.442 13.609 1.00 0.00 N ATOM 534 CA HIS A 35 -6.678 -12.094 14.110 1.00 0.00 C ATOM 535 C HIS A 35 -5.619 -12.466 13.070 1.00 0.00 C ATOM 536 O HIS A 35 -5.718 -12.071 11.909 1.00 0.00 O ATOM 537 CB HIS A 35 -6.425 -12.744 15.472 1.00 0.00 C ATOM 538 CG HIS A 35 -7.538 -12.531 16.470 1.00 0.00 C ATOM 539 ND1 HIS A 35 -8.724 -13.184 16.635 1.00 0.00 N flip ATOM 540 CD2 HIS A 35 -7.495 -11.547 17.442 1.00 0.00 C flip ATOM 541 CE1 HIS A 35 -9.369 -12.630 17.654 1.00 0.00 C flip ATOM 542 NE2 HIS A 35 -8.609 -11.615 18.155 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.999 -13.135 12.861 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.619 -11.017 14.270 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.278 -13.815 15.330 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.498 -12.347 15.886 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.690 -10.843 17.593 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.337 -12.933 18.025 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.855 -11.013 18.941 1.00 0.00 H new ATOM 550 N ASP A 36 -4.630 -13.221 13.523 1.00 0.00 N ATOM 551 CA ASP A 36 -3.554 -13.651 12.646 1.00 0.00 C ATOM 552 C ASP A 36 -2.449 -12.593 12.646 1.00 0.00 C ATOM 553 O ASP A 36 -1.323 -12.867 12.233 1.00 0.00 O ATOM 554 CB ASP A 36 -4.049 -13.819 11.208 1.00 0.00 C ATOM 555 CG ASP A 36 -3.266 -14.830 10.369 1.00 0.00 C ATOM 556 OD1 ASP A 36 -2.330 -14.467 9.640 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.657 -16.054 10.485 1.00 0.00 O ATOM 0 H ASP A 36 -4.551 -13.546 14.486 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.182 -14.608 13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.095 -14.123 11.233 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.011 -12.850 10.711 1.00 0.00 H new ATOM 563 N ASP A 37 -2.809 -11.407 13.114 1.00 0.00 N ATOM 564 CA ASP A 37 -1.862 -10.307 13.173 1.00 0.00 C ATOM 565 C ASP A 37 -1.338 -10.015 11.765 1.00 0.00 C ATOM 566 O ASP A 37 -1.350 -10.889 10.900 1.00 0.00 O ATOM 567 CB ASP A 37 -0.665 -10.657 14.059 1.00 0.00 C ATOM 568 CG ASP A 37 -0.946 -11.699 15.144 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.709 -11.448 16.088 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.336 -12.825 14.989 1.00 0.00 O ATOM 0 H ASP A 37 -3.744 -11.184 13.456 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.377 -9.441 13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.142 -11.023 13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.307 -9.745 14.536 1.00 0.00 H new ATOM 576 N PRO A 38 -0.878 -8.749 11.574 1.00 0.00 N ATOM 577 CA PRO A 38 -0.351 -8.331 10.286 1.00 0.00 C ATOM 578 C PRO A 38 1.045 -8.910 10.051 1.00 0.00 C ATOM 579 O PRO A 38 1.497 -9.006 8.911 1.00 0.00 O ATOM 580 CB PRO A 38 -0.364 -6.811 10.330 1.00 0.00 C ATOM 581 CG PRO A 38 -0.458 -6.438 11.801 1.00 0.00 C ATOM 582 CD PRO A 38 -0.849 -7.687 12.575 1.00 0.00 C ATOM 0 HA PRO A 38 -0.946 -8.697 9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.539 -6.399 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.210 -6.411 9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.496 -6.051 12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.197 -5.651 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.129 -7.906 13.364 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.821 -7.568 13.054 1.00 0.00 H new ATOM 590 N LYS A 39 1.690 -9.281 11.148 1.00 0.00 N ATOM 591 CA LYS A 39 3.025 -9.848 11.075 1.00 0.00 C ATOM 592 C LYS A 39 2.972 -11.171 10.308 1.00 0.00 C ATOM 593 O LYS A 39 3.948 -11.561 9.669 1.00 0.00 O ATOM 594 CB LYS A 39 3.631 -9.973 12.474 1.00 0.00 C ATOM 595 CG LYS A 39 3.126 -11.232 13.180 1.00 0.00 C ATOM 596 CD LYS A 39 2.738 -10.931 14.629 1.00 0.00 C ATOM 597 CE LYS A 39 3.903 -11.212 15.579 1.00 0.00 C ATOM 598 NZ LYS A 39 4.314 -12.631 15.489 1.00 0.00 N ATOM 0 H LYS A 39 1.312 -9.200 12.092 1.00 0.00 H new ATOM 0 HA LYS A 39 3.690 -9.185 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.718 -10.004 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.375 -9.093 13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.265 -11.632 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.899 -12.000 13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.435 -9.888 14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.878 -11.538 14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.746 -10.567 15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.611 -10.976 16.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.632 -12.960 16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.507 -13.207 15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.092 -12.724 14.806 1.00 0.00 H new ATOM 611 N ALA A 40 1.823 -11.824 10.397 1.00 0.00 N ATOM 612 CA ALA A 40 1.629 -13.094 9.719 1.00 0.00 C ATOM 613 C ALA A 40 0.991 -12.846 8.351 1.00 0.00 C ATOM 614 O ALA A 40 0.113 -13.596 7.926 1.00 0.00 O ATOM 615 CB ALA A 40 0.784 -14.018 10.598 1.00 0.00 C ATOM 0 H ALA A 40 1.016 -11.497 10.929 1.00 0.00 H new ATOM 0 HA ALA A 40 2.586 -13.589 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.638 -14.971 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.296 -14.187 11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.185 -13.555 10.786 1.00 0.00 H new ATOM 621 N VAL A 41 1.456 -11.790 7.700 1.00 0.00 N ATOM 622 CA VAL A 41 0.941 -11.433 6.388 1.00 0.00 C ATOM 623 C VAL A 41 1.730 -10.242 5.842 1.00 0.00 C ATOM 624 O VAL A 41 2.173 -9.384 6.605 1.00 0.00 O ATOM 625 CB VAL A 41 -0.563 -11.167 6.472 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.842 -9.714 6.864 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.257 -11.522 5.155 1.00 0.00 C ATOM 0 H VAL A 41 2.183 -11.170 8.056 1.00 0.00 H new ATOM 0 HA VAL A 41 1.073 -12.258 5.688 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.974 -11.809 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.919 -9.552 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.396 -9.508 7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.410 -9.047 6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.325 -11.324 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.840 -10.918 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.101 -12.578 4.935 1.00 0.00 H new ATOM 637 N ARG A 42 1.882 -10.226 4.526 1.00 0.00 N ATOM 638 CA ARG A 42 2.610 -9.154 3.869 1.00 0.00 C ATOM 639 C ARG A 42 1.635 -8.122 3.299 1.00 0.00 C ATOM 640 O ARG A 42 0.420 -8.299 3.381 1.00 0.00 O ATOM 641 CB ARG A 42 3.487 -9.696 2.738 1.00 0.00 C ATOM 642 CG ARG A 42 4.878 -10.069 3.254 1.00 0.00 C ATOM 643 CD ARG A 42 4.819 -11.319 4.135 1.00 0.00 C ATOM 644 NE ARG A 42 5.601 -12.412 3.514 1.00 0.00 N ATOM 645 CZ ARG A 42 6.051 -13.495 4.184 1.00 0.00 C ATOM 646 NH1 ARG A 42 5.800 -13.638 5.502 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.740 -14.411 3.529 1.00 0.00 N ATOM 0 H ARG A 42 1.513 -10.939 3.897 1.00 0.00 H new ATOM 0 HA ARG A 42 3.249 -8.682 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.013 -10.571 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.576 -8.947 1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.547 -10.245 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.294 -9.238 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.214 -11.095 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.783 -11.632 4.268 1.00 0.00 H new ATOM 0 HE ARG A 42 5.813 -12.343 2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.267 -12.925 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.143 -14.459 6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.925 -14.294 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.087 -15.235 4.019 1.00 0.00 H new ATOM 660 N ALA A 43 2.203 -7.066 2.735 1.00 0.00 N ATOM 661 CA ALA A 43 1.399 -6.006 2.152 1.00 0.00 C ATOM 662 C ALA A 43 1.072 -6.360 0.700 1.00 0.00 C ATOM 663 O ALA A 43 0.098 -5.859 0.139 1.00 0.00 O ATOM 664 CB ALA A 43 2.143 -4.675 2.274 1.00 0.00 C ATOM 0 H ALA A 43 3.211 -6.922 2.670 1.00 0.00 H new ATOM 0 HA ALA A 43 0.455 -5.902 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.540 -3.880 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.326 -4.455 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.095 -4.740 1.747 1.00 0.00 H new ATOM 670 N THR A 44 1.904 -7.220 0.132 1.00 0.00 N ATOM 671 CA THR A 44 1.715 -7.647 -1.244 1.00 0.00 C ATOM 672 C THR A 44 1.337 -9.128 -1.296 1.00 0.00 C ATOM 673 O THR A 44 1.749 -9.846 -2.206 1.00 0.00 O ATOM 674 CB THR A 44 2.992 -7.318 -2.021 1.00 0.00 C ATOM 675 OG1 THR A 44 3.376 -6.037 -1.529 1.00 0.00 O ATOM 676 CG2 THR A 44 2.727 -7.081 -3.509 1.00 0.00 C ATOM 0 H THR A 44 2.711 -7.633 0.600 1.00 0.00 H new ATOM 0 HA THR A 44 0.886 -7.116 -1.712 1.00 0.00 H new ATOM 0 HB THR A 44 3.708 -8.132 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.197 -5.747 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.665 -6.851 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.289 -7.977 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.038 -6.245 -3.627 1.00 0.00 H new ATOM 684 N THR A 45 0.558 -9.543 -0.308 1.00 0.00 N ATOM 685 CA THR A 45 0.120 -10.926 -0.230 1.00 0.00 C ATOM 686 C THR A 45 -1.355 -11.041 -0.622 1.00 0.00 C ATOM 687 O THR A 45 -2.105 -10.072 -0.521 1.00 0.00 O ATOM 688 CB THR A 45 0.414 -11.436 1.182 1.00 0.00 C ATOM 689 OG1 THR A 45 1.088 -12.674 0.971 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.856 -11.827 1.941 1.00 0.00 C ATOM 0 H THR A 45 0.219 -8.945 0.446 1.00 0.00 H new ATOM 0 HA THR A 45 0.662 -11.553 -0.938 1.00 0.00 H new ATOM 0 HB THR A 45 0.948 -10.667 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.317 -13.073 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.590 -12.182 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.510 -10.959 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.374 -12.619 1.400 1.00 0.00 H new ATOM 698 N PRO A 46 -1.735 -12.267 -1.073 1.00 0.00 N ATOM 699 CA PRO A 46 -3.106 -12.522 -1.481 1.00 0.00 C ATOM 700 C PRO A 46 -4.026 -12.646 -0.265 1.00 0.00 C ATOM 701 O PRO A 46 -3.735 -13.397 0.664 1.00 0.00 O ATOM 702 CB PRO A 46 -3.040 -13.796 -2.308 1.00 0.00 C ATOM 703 CG PRO A 46 -1.720 -14.459 -1.947 1.00 0.00 C ATOM 704 CD PRO A 46 -0.873 -13.438 -1.206 1.00 0.00 C ATOM 0 HA PRO A 46 -3.530 -11.705 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.881 -14.452 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.086 -13.573 -3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.892 -15.337 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.206 -14.801 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.563 -13.814 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.035 -13.200 -1.760 1.00 0.00 H new ATOM 712 N PHE A 47 -5.118 -11.897 -0.310 1.00 0.00 N ATOM 713 CA PHE A 47 -6.082 -11.913 0.776 1.00 0.00 C ATOM 714 C PHE A 47 -6.948 -13.173 0.722 1.00 0.00 C ATOM 715 O PHE A 47 -7.393 -13.670 1.755 1.00 0.00 O ATOM 716 CB PHE A 47 -6.977 -10.685 0.599 1.00 0.00 C ATOM 717 CG PHE A 47 -7.837 -10.720 -0.666 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.972 -11.468 -0.697 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.466 -10.002 -1.761 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.771 -11.500 -1.871 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.264 -10.034 -2.935 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.399 -10.782 -2.965 1.00 0.00 C ATOM 0 H PHE A 47 -5.356 -11.275 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.563 -11.902 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.630 -10.595 1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.352 -9.792 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.266 -12.038 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.564 -9.408 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.673 -12.094 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.969 -9.464 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.006 -10.806 -3.858 1.00 0.00 H new ATOM 732 N LYS A 48 -7.162 -13.654 -0.495 1.00 0.00 N ATOM 733 CA LYS A 48 -7.967 -14.846 -0.698 1.00 0.00 C ATOM 734 C LYS A 48 -7.236 -16.055 -0.110 1.00 0.00 C ATOM 735 O LYS A 48 -7.814 -17.134 0.013 1.00 0.00 O ATOM 736 CB LYS A 48 -8.327 -15.004 -2.176 1.00 0.00 C ATOM 737 CG LYS A 48 -9.831 -14.827 -2.396 1.00 0.00 C ATOM 738 CD LYS A 48 -10.533 -16.183 -2.502 1.00 0.00 C ATOM 739 CE LYS A 48 -11.998 -16.011 -2.906 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.223 -16.528 -4.275 1.00 0.00 N ATOM 0 H LYS A 48 -6.791 -13.239 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.917 -14.759 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.780 -14.270 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.018 -15.989 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.258 -14.256 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.004 -14.252 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.020 -16.806 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.474 -16.703 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.640 -16.540 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.273 -14.957 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.223 -16.403 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.624 -16.006 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.980 -17.539 -4.309 1.00 0.00 H new ATOM 753 N GLU A 49 -5.977 -15.834 0.237 1.00 0.00 N ATOM 754 CA GLU A 49 -5.162 -16.892 0.809 1.00 0.00 C ATOM 755 C GLU A 49 -5.120 -16.766 2.333 1.00 0.00 C ATOM 756 O GLU A 49 -4.984 -17.765 3.038 1.00 0.00 O ATOM 757 CB GLU A 49 -3.750 -16.876 0.219 1.00 0.00 C ATOM 758 CG GLU A 49 -3.680 -17.716 -1.059 1.00 0.00 C ATOM 759 CD GLU A 49 -3.474 -19.196 -0.732 1.00 0.00 C ATOM 760 OE1 GLU A 49 -4.447 -19.908 -0.441 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.251 -19.602 -0.788 1.00 0.00 O ATOM 0 H GLU A 49 -5.501 -14.938 0.133 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.616 -17.850 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.455 -15.850 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.041 -17.262 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.599 -17.591 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.863 -17.362 -1.687 1.00 0.00 H new ATOM 769 N LEU A 50 -5.240 -15.531 2.796 1.00 0.00 N ATOM 770 CA LEU A 50 -5.218 -15.261 4.224 1.00 0.00 C ATOM 771 C LEU A 50 -6.630 -15.422 4.790 1.00 0.00 C ATOM 772 O LEU A 50 -6.811 -15.490 6.005 1.00 0.00 O ATOM 773 CB LEU A 50 -4.597 -13.891 4.501 1.00 0.00 C ATOM 774 CG LEU A 50 -5.579 -12.729 4.659 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.932 -12.506 6.131 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.036 -11.458 4.002 1.00 0.00 C ATOM 0 H LEU A 50 -5.353 -14.705 2.208 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.583 -15.982 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.000 -13.962 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.912 -13.654 3.687 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.502 -12.990 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.632 -11.674 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.390 -13.408 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.026 -12.276 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.754 -10.648 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.091 -11.182 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.876 -11.638 2.939 1.00 0.00 H new ATOM 788 N GLY A 51 -7.595 -15.477 3.883 1.00 0.00 N ATOM 789 CA GLY A 51 -8.985 -15.629 4.278 1.00 0.00 C ATOM 790 C GLY A 51 -9.815 -14.421 3.836 1.00 0.00 C ATOM 791 O GLY A 51 -9.520 -13.289 4.216 1.00 0.00 O ATOM 0 H GLY A 51 -7.441 -15.419 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.395 -16.538 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.049 -15.743 5.360 1.00 0.00 H new ATOM 795 N PHE A 52 -10.835 -14.704 3.040 1.00 0.00 N ATOM 796 CA PHE A 52 -11.710 -13.656 2.543 1.00 0.00 C ATOM 797 C PHE A 52 -12.636 -14.188 1.447 1.00 0.00 C ATOM 798 O PHE A 52 -12.248 -15.059 0.671 1.00 0.00 O ATOM 799 CB PHE A 52 -10.812 -12.568 1.951 1.00 0.00 C ATOM 800 CG PHE A 52 -10.881 -11.232 2.694 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.152 -11.207 4.026 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.670 -10.068 2.021 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.216 -9.968 4.715 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.734 -8.828 2.711 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.006 -8.804 4.043 1.00 0.00 C ATOM 0 H PHE A 52 -11.075 -15.644 2.727 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.332 -13.275 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.781 -12.921 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.091 -12.408 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.319 -12.131 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.454 -10.087 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.431 -9.949 5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.567 -7.904 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.055 -7.861 4.567 1.00 0.00 H new ATOM 815 N ASP A 53 -13.842 -13.641 1.420 1.00 0.00 N ATOM 816 CA ASP A 53 -14.827 -14.050 0.433 1.00 0.00 C ATOM 817 C ASP A 53 -15.949 -13.012 0.378 1.00 0.00 C ATOM 818 O ASP A 53 -16.005 -12.200 -0.545 1.00 0.00 O ATOM 819 CB ASP A 53 -15.448 -15.399 0.799 1.00 0.00 C ATOM 820 CG ASP A 53 -14.861 -16.603 0.060 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.838 -17.169 0.472 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.509 -16.963 -0.996 1.00 0.00 O ATOM 0 H ASP A 53 -14.160 -12.918 2.066 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.323 -14.135 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.330 -15.557 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.519 -15.355 0.599 1.00 0.00 H new ATOM 828 N SER A 54 -16.816 -13.071 1.378 1.00 0.00 N ATOM 829 CA SER A 54 -17.934 -12.146 1.456 1.00 0.00 C ATOM 830 C SER A 54 -18.005 -11.528 2.854 1.00 0.00 C ATOM 831 O SER A 54 -17.806 -10.324 3.015 1.00 0.00 O ATOM 832 CB SER A 54 -19.252 -12.845 1.117 1.00 0.00 C ATOM 833 OG SER A 54 -19.353 -13.149 -0.271 1.00 0.00 O ATOM 0 H SER A 54 -16.767 -13.745 2.142 1.00 0.00 H new ATOM 0 HA SER A 54 -17.775 -11.355 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.334 -13.765 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.086 -12.208 1.410 1.00 0.00 H new ATOM 0 HG SER A 54 -20.207 -13.596 -0.447 1.00 0.00 H new ATOM 839 N LEU A 55 -18.290 -12.378 3.829 1.00 0.00 N ATOM 840 CA LEU A 55 -18.390 -11.930 5.207 1.00 0.00 C ATOM 841 C LEU A 55 -17.183 -11.052 5.542 1.00 0.00 C ATOM 842 O LEU A 55 -17.342 -9.911 5.976 1.00 0.00 O ATOM 843 CB LEU A 55 -18.561 -13.125 6.148 1.00 0.00 C ATOM 844 CG LEU A 55 -19.998 -13.597 6.377 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.123 -15.105 6.148 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.496 -13.185 7.764 1.00 0.00 C ATOM 0 H LEU A 55 -18.455 -13.375 3.692 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.280 -11.316 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.984 -13.960 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.126 -12.867 7.114 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.639 -13.106 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.154 -15.414 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.836 -15.342 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.467 -15.634 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.520 -13.533 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.857 -13.629 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.467 -12.099 7.853 1.00 0.00 H new ATOM 858 N ALA A 56 -16.003 -11.616 5.329 1.00 0.00 N ATOM 859 CA ALA A 56 -14.770 -10.898 5.603 1.00 0.00 C ATOM 860 C ALA A 56 -14.642 -9.723 4.631 1.00 0.00 C ATOM 861 O ALA A 56 -14.086 -8.683 4.980 1.00 0.00 O ATOM 862 CB ALA A 56 -13.586 -11.863 5.511 1.00 0.00 C ATOM 0 H ALA A 56 -15.875 -12.562 4.970 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.780 -10.490 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.661 -11.324 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.711 -12.662 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.542 -12.291 4.509 1.00 0.00 H new ATOM 868 N ALA A 57 -15.166 -9.929 3.432 1.00 0.00 N ATOM 869 CA ALA A 57 -15.117 -8.900 2.407 1.00 0.00 C ATOM 870 C ALA A 57 -15.978 -7.713 2.842 1.00 0.00 C ATOM 871 O ALA A 57 -15.682 -6.569 2.500 1.00 0.00 O ATOM 872 CB ALA A 57 -15.569 -9.490 1.070 1.00 0.00 C ATOM 0 H ALA A 57 -15.627 -10.793 3.147 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.098 -8.537 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.532 -8.718 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.908 -10.311 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.589 -9.862 1.163 1.00 0.00 H new ATOM 878 N VAL A 58 -17.027 -8.025 3.589 1.00 0.00 N ATOM 879 CA VAL A 58 -17.933 -6.998 4.074 1.00 0.00 C ATOM 880 C VAL A 58 -17.375 -6.401 5.367 1.00 0.00 C ATOM 881 O VAL A 58 -17.119 -5.200 5.440 1.00 0.00 O ATOM 882 CB VAL A 58 -19.339 -7.578 4.241 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.110 -6.838 5.336 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.105 -7.550 2.917 1.00 0.00 C ATOM 0 H VAL A 58 -17.270 -8.975 3.870 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.014 -6.187 3.350 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.238 -8.619 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.106 -7.270 5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.578 -6.932 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.196 -5.784 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.101 -7.968 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.191 -6.521 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.569 -8.141 2.174 1.00 0.00 H new ATOM 894 N ARG A 59 -17.203 -7.266 6.355 1.00 0.00 N ATOM 895 CA ARG A 59 -16.680 -6.839 7.641 1.00 0.00 C ATOM 896 C ARG A 59 -15.549 -5.827 7.445 1.00 0.00 C ATOM 897 O ARG A 59 -15.394 -4.902 8.241 1.00 0.00 O ATOM 898 CB ARG A 59 -16.156 -8.030 8.446 1.00 0.00 C ATOM 899 CG ARG A 59 -17.186 -8.489 9.480 1.00 0.00 C ATOM 900 CD ARG A 59 -16.499 -9.084 10.711 1.00 0.00 C ATOM 901 NE ARG A 59 -16.522 -8.109 11.824 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.527 -8.004 12.718 1.00 0.00 C ATOM 903 NH1 ARG A 59 -18.603 -8.816 12.638 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.443 -7.096 13.673 1.00 0.00 N ATOM 0 H ARG A 59 -17.417 -8.261 6.291 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.497 -6.374 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.920 -8.854 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.229 -7.754 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.808 -7.645 9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.848 -9.231 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.003 -10.003 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.470 -9.350 10.470 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.728 -7.476 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.660 -9.515 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.358 -8.730 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.627 -6.487 13.727 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.194 -7.004 14.357 1.00 0.00 H new ATOM 917 N LEU A 60 -14.789 -6.037 6.380 1.00 0.00 N ATOM 918 CA LEU A 60 -13.677 -5.154 6.069 1.00 0.00 C ATOM 919 C LEU A 60 -14.218 -3.781 5.668 1.00 0.00 C ATOM 920 O LEU A 60 -14.040 -2.803 6.393 1.00 0.00 O ATOM 921 CB LEU A 60 -12.768 -5.789 5.015 1.00 0.00 C ATOM 922 CG LEU A 60 -11.401 -5.130 4.823 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.426 -5.560 5.921 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.849 -5.410 3.424 1.00 0.00 C ATOM 0 H LEU A 60 -14.921 -6.805 5.722 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.051 -5.005 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.611 -6.834 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.291 -5.779 4.059 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.527 -4.051 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.462 -5.077 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.821 -5.267 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.299 -6.642 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.876 -4.930 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.741 -6.486 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.536 -5.014 2.676 1.00 0.00 H new ATOM 936 N ARG A 61 -14.869 -3.750 4.515 1.00 0.00 N ATOM 937 CA ARG A 61 -15.438 -2.513 4.009 1.00 0.00 C ATOM 938 C ARG A 61 -16.043 -1.699 5.154 1.00 0.00 C ATOM 939 O ARG A 61 -16.079 -0.471 5.096 1.00 0.00 O ATOM 940 CB ARG A 61 -16.519 -2.790 2.963 1.00 0.00 C ATOM 941 CG ARG A 61 -16.963 -1.497 2.276 1.00 0.00 C ATOM 942 CD ARG A 61 -18.145 -0.863 3.011 1.00 0.00 C ATOM 943 NE ARG A 61 -19.215 -0.521 2.048 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.924 -1.432 1.348 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.681 -2.752 1.499 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.858 -1.014 0.514 1.00 0.00 N ATOM 0 H ARG A 61 -15.015 -4.563 3.916 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.633 -1.946 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.139 -3.489 2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.376 -3.266 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.131 -0.794 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.243 -1.707 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.528 -1.552 3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.818 0.034 3.537 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.431 0.465 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.958 -3.067 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.221 -3.434 0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.035 -0.015 0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.402 -1.690 -0.022 1.00 0.00 H new ATOM 959 N ASN A 62 -16.503 -2.416 6.169 1.00 0.00 N ATOM 960 CA ASN A 62 -17.104 -1.776 7.326 1.00 0.00 C ATOM 961 C ASN A 62 -16.005 -1.142 8.181 1.00 0.00 C ATOM 962 O ASN A 62 -16.070 0.044 8.503 1.00 0.00 O ATOM 963 CB ASN A 62 -17.850 -2.793 8.192 1.00 0.00 C ATOM 964 CG ASN A 62 -19.324 -2.879 7.791 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.195 -2.276 8.396 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.553 -3.661 6.740 1.00 0.00 N ATOM 0 H ASN A 62 -16.471 -3.435 6.214 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.806 -1.023 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.384 -3.773 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.771 -2.510 9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.505 -3.785 6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.777 -4.137 6.280 1.00 0.00 H new ATOM 973 N LEU A 63 -15.022 -1.960 8.526 1.00 0.00 N ATOM 974 CA LEU A 63 -13.910 -1.494 9.337 1.00 0.00 C ATOM 975 C LEU A 63 -13.096 -0.472 8.541 1.00 0.00 C ATOM 976 O LEU A 63 -12.718 0.573 9.068 1.00 0.00 O ATOM 977 CB LEU A 63 -13.084 -2.677 9.845 1.00 0.00 C ATOM 978 CG LEU A 63 -12.368 -2.471 11.182 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.091 -3.811 11.867 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.093 -1.646 10.999 1.00 0.00 C ATOM 0 H LEU A 63 -14.972 -2.943 8.259 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.276 -0.985 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.742 -3.541 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.338 -2.924 9.090 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.027 -1.904 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.582 -3.637 12.815 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.033 -4.327 12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.461 -4.425 11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.603 -1.514 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.419 -2.165 10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.347 -0.670 10.585 1.00 0.00 H new ATOM 992 N LEU A 64 -12.849 -0.810 7.284 1.00 0.00 N ATOM 993 CA LEU A 64 -12.087 0.065 6.410 1.00 0.00 C ATOM 994 C LEU A 64 -12.574 1.505 6.585 1.00 0.00 C ATOM 995 O LEU A 64 -11.800 2.449 6.431 1.00 0.00 O ATOM 996 CB LEU A 64 -12.150 -0.434 4.965 1.00 0.00 C ATOM 997 CG LEU A 64 -10.918 -1.189 4.462 1.00 0.00 C ATOM 998 CD1 LEU A 64 -11.048 -1.521 2.974 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.636 -0.412 4.766 1.00 0.00 C ATOM 0 H LEU A 64 -13.163 -1.678 6.850 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.032 0.050 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.018 -1.086 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.318 0.423 4.313 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.855 -2.136 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.159 -2.057 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.928 -2.144 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.149 -0.598 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.776 -0.971 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.674 0.560 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.543 -0.270 5.843 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.854 1.627 6.904 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.454 2.936 7.101 1.00 0.00 C ATOM 1013 C ASN A 65 -13.589 3.748 8.068 1.00 0.00 C ATOM 1014 O ASN A 65 -13.457 4.962 7.918 1.00 0.00 O ATOM 1015 CB ASN A 65 -15.853 2.815 7.707 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.721 4.017 7.329 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.849 4.980 8.068 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.307 3.908 6.140 1.00 0.00 N ATOM 0 H ASN A 65 -14.492 0.841 7.031 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.523 3.425 6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.326 1.897 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.778 2.743 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.906 4.658 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.157 3.074 5.572 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.023 3.045 9.038 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.174 3.685 10.029 1.00 0.00 C ATOM 1027 C ALA A 66 -10.926 4.242 9.341 1.00 0.00 C ATOM 1028 O ALA A 66 -10.359 5.238 9.789 1.00 0.00 O ATOM 1029 CB ALA A 66 -11.833 2.683 11.133 1.00 0.00 C ATOM 0 H ALA A 66 -13.136 2.038 9.159 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.693 4.521 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.196 3.163 11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.751 2.340 11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.308 1.831 10.701 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.534 3.575 8.266 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.363 3.991 7.512 1.00 0.00 C ATOM 1037 C ALA A 67 -9.758 5.102 6.537 1.00 0.00 C ATOM 1038 O ALA A 67 -8.912 5.884 6.106 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.756 2.780 6.802 1.00 0.00 C ATOM 0 H ALA A 67 -11.006 2.749 7.899 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.600 4.393 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.878 3.092 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.465 2.033 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.492 2.351 6.122 1.00 0.00 H new ATOM 1045 N THR A 68 -11.043 5.135 6.216 1.00 0.00 N ATOM 1046 CA THR A 68 -11.560 6.136 5.299 1.00 0.00 C ATOM 1047 C THR A 68 -12.653 6.966 5.976 1.00 0.00 C ATOM 1048 O THR A 68 -12.370 8.004 6.572 1.00 0.00 O ATOM 1049 CB THR A 68 -12.038 5.419 4.035 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.371 4.108 4.485 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.908 5.191 3.029 1.00 0.00 C ATOM 0 H THR A 68 -11.742 4.484 6.575 1.00 0.00 H new ATOM 0 HA THR A 68 -10.785 6.847 5.013 1.00 0.00 H new ATOM 0 HB THR A 68 -12.831 6.001 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.346 4.015 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.301 4.679 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.487 6.151 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.130 4.580 3.488 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.879 6.476 5.862 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.016 7.159 6.456 1.00 0.00 C ATOM 1061 C GLY A 69 -16.019 7.589 5.383 1.00 0.00 C ATOM 1062 O GLY A 69 -16.923 8.378 5.654 1.00 0.00 O ATOM 0 H GLY A 69 -14.110 5.614 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.506 6.501 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.672 8.033 7.008 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.826 7.050 4.188 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.703 7.367 3.074 1.00 0.00 C ATOM 1068 C LEU A 70 -17.328 6.077 2.539 1.00 0.00 C ATOM 1069 O LEU A 70 -17.151 5.009 3.123 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.950 8.171 2.012 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.703 7.506 1.426 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -13.461 7.844 2.254 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.902 5.996 1.283 1.00 0.00 C ATOM 0 H LEU A 70 -15.075 6.396 3.967 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.522 8.006 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.638 8.391 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.657 9.126 2.448 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.542 7.906 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.589 7.359 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.311 8.924 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.598 7.491 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.001 5.548 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.102 5.561 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.745 5.801 0.620 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.047 6.219 1.435 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.699 5.079 0.815 1.00 0.00 C ATOM 1087 C ARG A 71 -17.702 4.297 -0.042 1.00 0.00 C ATOM 1088 O ARG A 71 -17.655 4.471 -1.259 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.874 5.524 -0.059 1.00 0.00 C ATOM 1090 CG ARG A 71 -21.128 5.757 0.786 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.394 5.621 -0.063 1.00 0.00 C ATOM 1092 NE ARG A 71 -23.438 4.899 0.697 1.00 0.00 N ATOM 1093 CZ ARG A 71 -24.718 4.770 0.288 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -25.123 5.313 -0.879 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -25.568 4.103 1.048 1.00 0.00 N ATOM 0 H ARG A 71 -18.192 7.107 0.954 1.00 0.00 H new ATOM 0 HA ARG A 71 -19.076 4.439 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.612 6.440 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.077 4.766 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.157 5.039 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -21.090 6.750 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.758 6.608 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.168 5.085 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 71 -23.174 4.472 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.460 5.826 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -26.092 5.210 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -25.253 3.695 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -26.539 3.996 0.754 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.929 3.454 0.626 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.935 2.646 -0.060 1.00 0.00 C ATOM 1110 C LEU A 72 -16.638 1.702 -1.038 1.00 0.00 C ATOM 1111 O LEU A 72 -17.832 1.439 -0.903 1.00 0.00 O ATOM 1112 CB LEU A 72 -15.038 1.928 0.951 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.902 2.760 1.549 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.382 2.128 2.842 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.785 2.978 0.527 1.00 0.00 C ATOM 0 H LEU A 72 -16.971 3.313 1.635 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.270 3.278 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.663 1.563 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.605 1.053 0.466 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.297 3.742 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.575 2.739 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.192 2.068 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.008 1.126 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.990 3.572 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.384 2.014 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.183 3.504 -0.341 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.847 1.205 -2.026 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.381 0.296 -3.026 1.00 0.00 C ATOM 1129 C PRO A 73 -16.588 -1.103 -2.441 1.00 0.00 C ATOM 1130 O PRO A 73 -15.850 -1.523 -1.550 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.369 0.321 -4.160 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.087 0.876 -3.563 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.429 1.493 -2.217 1.00 0.00 C ATOM 0 HA PRO A 73 -17.367 0.595 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.211 -0.679 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.719 0.945 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.348 0.084 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.650 1.623 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.826 1.060 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.239 2.566 -2.214 1.00 0.00 H new ATOM 1141 N SER A 74 -17.595 -1.785 -2.965 1.00 0.00 N ATOM 1142 CA SER A 74 -17.909 -3.128 -2.505 1.00 0.00 C ATOM 1143 C SER A 74 -16.978 -4.141 -3.174 1.00 0.00 C ATOM 1144 O SER A 74 -16.787 -5.244 -2.665 1.00 0.00 O ATOM 1145 CB SER A 74 -19.370 -3.481 -2.792 1.00 0.00 C ATOM 1146 OG SER A 74 -20.262 -2.463 -2.346 1.00 0.00 O ATOM 0 H SER A 74 -18.204 -1.434 -3.704 1.00 0.00 H new ATOM 0 HA SER A 74 -17.760 -3.163 -1.426 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.502 -3.635 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.619 -4.422 -2.301 1.00 0.00 H new ATOM 0 HG SER A 74 -21.184 -2.725 -2.549 1.00 0.00 H new ATOM 1152 N THR A 75 -16.422 -3.729 -4.305 1.00 0.00 N ATOM 1153 CA THR A 75 -15.515 -4.587 -5.048 1.00 0.00 C ATOM 1154 C THR A 75 -14.068 -4.330 -4.622 1.00 0.00 C ATOM 1155 O THR A 75 -13.141 -4.923 -5.171 1.00 0.00 O ATOM 1156 CB THR A 75 -15.760 -4.353 -6.540 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.669 -2.939 -6.690 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.196 -4.681 -6.956 1.00 0.00 C ATOM 0 H THR A 75 -16.582 -2.813 -4.724 1.00 0.00 H new ATOM 0 HA THR A 75 -15.701 -5.639 -4.834 1.00 0.00 H new ATOM 0 HB THR A 75 -15.066 -4.960 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.814 -2.700 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.316 -4.498 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.407 -5.729 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.889 -4.050 -6.399 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.921 -3.445 -3.648 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.602 -3.102 -3.142 1.00 0.00 C ATOM 1168 C LEU A 76 -11.869 -4.381 -2.734 1.00 0.00 C ATOM 1169 O LEU A 76 -10.673 -4.522 -2.985 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.712 -2.070 -2.017 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.834 -2.633 -0.600 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -14.094 -3.489 -0.456 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.571 -3.402 -0.205 1.00 0.00 C ATOM 0 H LEU A 76 -14.693 -2.955 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.006 -2.628 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.834 -1.425 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.580 -1.440 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.932 -1.797 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.156 -3.877 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.973 -2.880 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.051 -4.321 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.684 -3.792 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.417 -4.229 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.711 -2.733 -0.242 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.616 -5.280 -2.110 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.052 -6.543 -1.665 1.00 0.00 C ATOM 1187 C VAL A 77 -11.962 -7.504 -2.852 1.00 0.00 C ATOM 1188 O VAL A 77 -11.541 -8.649 -2.698 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.875 -7.103 -0.503 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.871 -8.633 -0.516 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.369 -6.565 0.837 1.00 0.00 C ATOM 0 H VAL A 77 -13.607 -5.159 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.040 -6.397 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.905 -6.769 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.463 -9.006 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.300 -8.990 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.847 -8.995 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.971 -6.979 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.327 -6.855 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.447 -5.478 0.846 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.366 -7.002 -4.010 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.337 -7.802 -5.223 1.00 0.00 C ATOM 1203 C PHE A 78 -11.420 -7.172 -6.273 1.00 0.00 C ATOM 1204 O PHE A 78 -11.083 -7.808 -7.271 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.766 -7.840 -5.768 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.487 -9.169 -5.532 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.083 -10.288 -6.191 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.530 -9.232 -4.662 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.752 -11.521 -5.972 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.199 -10.465 -4.443 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.796 -11.584 -5.103 1.00 0.00 C ATOM 0 H PHE A 78 -12.715 -6.052 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.959 -8.800 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.342 -7.039 -5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.741 -7.637 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.253 -10.239 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.850 -8.344 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.432 -12.409 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -17.028 -10.514 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.305 -12.522 -4.937 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.042 -5.929 -6.013 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.171 -5.205 -6.924 1.00 0.00 C ATOM 1223 C ASP A 79 -8.785 -5.064 -6.292 1.00 0.00 C ATOM 1224 O ASP A 79 -7.842 -4.621 -6.947 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.709 -3.800 -7.201 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.547 -3.319 -8.644 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.407 -3.570 -9.502 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.468 -2.651 -8.879 1.00 0.00 O ATOM 0 H ASP A 79 -11.323 -5.405 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.122 -5.763 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.768 -3.775 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.203 -3.096 -6.540 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.704 -5.450 -5.027 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.449 -5.372 -4.299 1.00 0.00 C ATOM 1236 C HIS A 80 -6.944 -6.783 -3.995 1.00 0.00 C ATOM 1237 O HIS A 80 -7.449 -7.445 -3.089 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.601 -4.512 -3.043 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.556 -5.297 -1.753 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.426 -5.971 -1.325 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.513 -5.507 -0.804 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.701 -6.557 -0.169 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.995 -6.268 0.152 1.00 0.00 N ATOM 0 H HIS A 80 -9.488 -5.818 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.697 -4.880 -4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.809 -3.764 -3.029 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.547 -3.973 -3.096 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.533 -6.010 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.521 -5.120 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.021 -7.158 0.416 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.927 -7.214 -4.788 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.348 -8.535 -4.613 1.00 0.00 C ATOM 1253 C PRO A 81 -4.447 -8.579 -3.376 1.00 0.00 C ATOM 1254 O PRO A 81 -4.197 -9.649 -2.824 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.596 -8.810 -5.905 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.393 -7.456 -6.565 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.303 -6.457 -5.870 1.00 0.00 C ATOM 0 HA PRO A 81 -6.100 -9.303 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.640 -9.294 -5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.163 -9.479 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.352 -7.144 -6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.628 -7.511 -7.628 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.738 -5.608 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.050 -6.058 -6.556 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.985 -7.403 -2.978 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.118 -7.293 -1.818 1.00 0.00 C ATOM 1267 C ASN A 82 -3.286 -5.908 -1.190 1.00 0.00 C ATOM 1268 O ASN A 82 -3.899 -5.023 -1.784 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.648 -7.459 -2.210 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.487 -7.488 -3.731 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.673 -8.689 -4.272 1.00 0.00 O flip ATOM 1272 ND2 ASN A 82 -1.212 -6.487 -4.372 1.00 0.00 N flip ATOM 0 H ASN A 82 -4.195 -6.518 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.395 -8.079 -1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.062 -6.639 -1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.255 -8.381 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.082 -5.595 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.112 -6.542 -5.386 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.730 -5.764 0.004 1.00 0.00 N ATOM 1280 CA ALA A 83 -2.810 -4.501 0.719 1.00 0.00 C ATOM 1281 C ALA A 83 -2.154 -3.402 -0.119 1.00 0.00 C ATOM 1282 O ALA A 83 -2.774 -2.378 -0.401 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.159 -4.652 2.096 1.00 0.00 C ATOM 0 H ALA A 83 -2.222 -6.501 0.494 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.850 -4.216 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.219 -3.705 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.681 -5.424 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.113 -4.935 1.975 1.00 0.00 H new ATOM 1289 N SER A 84 -0.908 -3.653 -0.494 1.00 0.00 N ATOM 1290 CA SER A 84 -0.161 -2.697 -1.294 1.00 0.00 C ATOM 1291 C SER A 84 -1.044 -2.153 -2.419 1.00 0.00 C ATOM 1292 O SER A 84 -0.844 -1.032 -2.883 1.00 0.00 O ATOM 1293 CB SER A 84 1.104 -3.334 -1.874 1.00 0.00 C ATOM 1294 OG SER A 84 2.250 -2.507 -1.691 1.00 0.00 O ATOM 0 H SER A 84 -0.397 -4.504 -0.259 1.00 0.00 H new ATOM 0 HA SER A 84 0.142 -1.873 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.274 -4.300 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.960 -3.523 -2.938 1.00 0.00 H new ATOM 0 HG SER A 84 3.037 -2.949 -2.073 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.003 -2.973 -2.825 1.00 0.00 N ATOM 1301 CA ALA A 85 -2.917 -2.588 -3.886 1.00 0.00 C ATOM 1302 C ALA A 85 -4.111 -1.848 -3.281 1.00 0.00 C ATOM 1303 O ALA A 85 -4.499 -0.786 -3.767 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.339 -3.831 -4.672 1.00 0.00 C ATOM 0 H ALA A 85 -2.166 -3.902 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.429 -1.910 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.025 -3.542 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.458 -4.304 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.835 -4.534 -4.003 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.661 -2.437 -2.230 1.00 0.00 N ATOM 1311 CA VAL A 86 -5.804 -1.846 -1.553 1.00 0.00 C ATOM 1312 C VAL A 86 -5.460 -0.415 -1.137 1.00 0.00 C ATOM 1313 O VAL A 86 -6.252 0.503 -1.345 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.227 -2.726 -0.375 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -5.610 -2.226 0.932 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.751 -2.804 -0.268 1.00 0.00 C ATOM 0 H VAL A 86 -4.337 -3.318 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.661 -1.792 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.853 -3.733 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.927 -2.869 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.523 -2.247 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.940 -1.205 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.025 -3.436 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.157 -1.803 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.159 -3.229 -1.185 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.278 -0.269 -0.556 1.00 0.00 N ATOM 1327 CA ALA A 87 -3.820 1.035 -0.108 1.00 0.00 C ATOM 1328 C ALA A 87 -4.060 2.063 -1.215 1.00 0.00 C ATOM 1329 O ALA A 87 -4.648 3.116 -0.973 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.347 0.948 0.297 1.00 0.00 C ATOM 0 H ALA A 87 -3.624 -1.033 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.381 1.358 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.004 1.926 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.234 0.226 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.752 0.629 -0.559 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.593 1.721 -2.407 1.00 0.00 N ATOM 1337 CA GLY A 88 -3.750 2.602 -3.553 1.00 0.00 C ATOM 1338 C GLY A 88 -5.226 2.915 -3.805 1.00 0.00 C ATOM 1339 O GLY A 88 -5.624 4.079 -3.816 1.00 0.00 O ATOM 0 H GLY A 88 -3.106 0.847 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.202 3.529 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.317 2.135 -4.438 1.00 0.00 H new ATOM 1343 N PHE A 89 -5.998 1.857 -4.002 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.421 2.004 -4.253 1.00 0.00 C ATOM 1345 C PHE A 89 -8.051 2.997 -3.274 1.00 0.00 C ATOM 1346 O PHE A 89 -8.780 3.899 -3.682 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.057 0.629 -4.046 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.160 0.606 -2.986 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.313 1.297 -3.190 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.986 -0.105 -1.839 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.337 1.276 -2.205 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.009 -0.125 -0.855 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.163 0.565 -1.059 1.00 0.00 C ATOM 0 H PHE A 89 -5.664 0.893 -3.993 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.583 2.379 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.471 0.285 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.280 -0.080 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.451 1.862 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.070 -0.654 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.253 1.825 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.871 -0.688 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.941 0.548 -0.311 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.745 2.797 -2.000 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.272 3.663 -0.960 1.00 0.00 C ATOM 1365 C LEU A 90 -7.798 5.097 -1.206 1.00 0.00 C ATOM 1366 O LEU A 90 -8.594 6.033 -1.168 1.00 0.00 O ATOM 1367 CB LEU A 90 -7.905 3.123 0.424 1.00 0.00 C ATOM 1368 CG LEU A 90 -8.830 2.045 0.991 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -8.090 0.715 1.148 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.468 2.504 2.303 1.00 0.00 C ATOM 0 H LEU A 90 -7.139 2.048 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.361 3.677 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.894 2.718 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.882 3.959 1.124 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.640 1.881 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.770 -0.034 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.724 0.385 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.248 0.845 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.121 1.719 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.687 2.713 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.052 3.408 2.127 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.502 5.223 -1.454 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.912 6.526 -1.707 1.00 0.00 C ATOM 1384 C ASP A 91 -6.733 7.255 -2.773 1.00 0.00 C ATOM 1385 O ASP A 91 -6.713 8.483 -2.845 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.479 6.391 -2.225 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.590 7.615 -1.996 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -4.070 8.758 -1.979 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.338 7.355 -1.827 1.00 0.00 O ATOM 0 H ASP A 91 -5.845 4.444 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.906 7.081 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.015 5.529 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.513 6.181 -3.294 1.00 0.00 H new ATOM 1395 N ALA A 92 -7.437 6.467 -3.573 1.00 0.00 N ATOM 1396 CA ALA A 92 -8.263 7.022 -4.631 1.00 0.00 C ATOM 1397 C ALA A 92 -9.600 7.477 -4.043 1.00 0.00 C ATOM 1398 O ALA A 92 -10.177 8.466 -4.494 1.00 0.00 O ATOM 1399 CB ALA A 92 -8.437 5.983 -5.741 1.00 0.00 C ATOM 0 H ALA A 92 -7.452 5.449 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.784 7.895 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.057 6.399 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.461 5.715 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.918 5.093 -5.334 1.00 0.00 H new ATOM 1405 N GLU A 93 -10.055 6.733 -3.045 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.313 7.048 -2.391 1.00 0.00 C ATOM 1407 C GLU A 93 -11.155 8.282 -1.500 1.00 0.00 C ATOM 1408 O GLU A 93 -12.109 9.031 -1.297 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.826 5.852 -1.585 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.476 4.813 -2.499 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.997 4.980 -2.525 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.608 5.258 -1.482 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.545 4.811 -3.681 1.00 0.00 O ATOM 0 H GLU A 93 -9.575 5.913 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.053 7.272 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.000 5.396 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.549 6.192 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.078 4.913 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.223 3.811 -2.154 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.943 8.455 -0.994 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.648 9.585 -0.130 1.00 0.00 C ATOM 1423 C LEU A 94 -9.143 10.753 -0.980 1.00 0.00 C ATOM 1424 O LEU A 94 -9.181 11.904 -0.547 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.682 9.172 0.982 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.276 8.318 2.104 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.408 7.088 2.376 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.501 9.152 3.367 1.00 0.00 C ATOM 0 H LEU A 94 -9.154 7.832 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.552 9.924 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.856 8.622 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.261 10.075 1.424 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.252 7.957 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.853 6.499 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.343 6.481 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.408 7.406 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.924 8.521 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.550 9.562 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.190 9.967 3.147 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.682 10.417 -2.176 1.00 0.00 N ATOM 1441 CA GLY A 95 -8.170 11.423 -3.091 1.00 0.00 C ATOM 1442 C GLY A 95 -7.937 10.831 -4.482 1.00 0.00 C ATOM 1443 O GLY A 95 -6.876 11.026 -5.074 1.00 0.00 O ATOM 0 H GLY A 95 -8.652 9.462 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.875 12.251 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.236 11.830 -2.704 1.00 0.00 H new TER 1447 GLY A 95