USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 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 USER MOD Single : A 3 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=-0.094) USER MOD Single : A 4 MET CE :methyl -142:sc= -0.552 (180deg=-1.44!) USER MOD Single : A 18 THR OG1 : rot 111:sc= 0.367 USER MOD Single : A 27 THR OG1 : rot -101:sc= 1.28 USER MOD Single : A 28 SER OG : rot 84:sc= 1.21 USER MOD Single : A 29 THR OG1 : rot 81:sc= -1.94 USER MOD Single : A 31 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 35 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 20:sc= -0.991 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 62 ASN : amide:sc= -3.89 K(o=-3.9,f=-14!) USER MOD Single : A 65 ASN : amide:sc= 0.26 K(o=0.26,f=-6!) USER MOD Single : A 68 THR OG1 : rot 59:sc= -0.0248 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 80 HIS : no HD1:sc= -15.1! C(o=-15!,f=-22!) USER MOD Single : A 82 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.589 2.080 0.047 1.00 0.00 N ATOM 2 CA GLY A 1 9.623 3.525 -0.107 1.00 0.00 C ATOM 3 C GLY A 1 9.914 4.212 1.229 1.00 0.00 C ATOM 4 O GLY A 1 9.078 4.205 2.130 1.00 0.00 O ATOM 0 H1 GLY A 1 9.390 1.637 -0.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.509 1.747 0.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.844 1.821 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.387 3.799 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.668 3.875 -0.500 1.00 0.00 H new ATOM 8 N SER A 2 11.104 4.790 1.313 1.00 0.00 N ATOM 9 CA SER A 2 11.516 5.481 2.523 1.00 0.00 C ATOM 10 C SER A 2 11.578 6.988 2.270 1.00 0.00 C ATOM 11 O SER A 2 10.674 7.725 2.661 1.00 0.00 O ATOM 12 CB SER A 2 12.871 4.969 3.015 1.00 0.00 C ATOM 13 OG SER A 2 12.743 4.148 4.173 1.00 0.00 O ATOM 0 H SER A 2 11.795 4.794 0.563 1.00 0.00 H new ATOM 0 HA SER A 2 10.778 5.280 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.355 4.402 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.518 5.816 3.241 1.00 0.00 H new ATOM 0 HG SER A 2 13.629 3.840 4.455 1.00 0.00 H new ATOM 19 N HIS A 3 12.654 7.402 1.617 1.00 0.00 N ATOM 20 CA HIS A 3 12.846 8.809 1.307 1.00 0.00 C ATOM 21 C HIS A 3 12.894 9.619 2.604 1.00 0.00 C ATOM 22 O HIS A 3 13.049 9.055 3.687 1.00 0.00 O ATOM 23 CB HIS A 3 11.771 9.304 0.339 1.00 0.00 C ATOM 24 CG HIS A 3 11.488 8.355 -0.802 1.00 0.00 C ATOM 25 ND1 HIS A 3 12.484 7.655 -1.459 1.00 0.00 N ATOM 26 CD2 HIS A 3 10.312 7.998 -1.394 1.00 0.00 C ATOM 27 CE1 HIS A 3 11.922 6.913 -2.402 1.00 0.00 C ATOM 28 NE2 HIS A 3 10.576 7.128 -2.361 1.00 0.00 N ATOM 0 H HIS A 3 13.402 6.788 1.294 1.00 0.00 H new ATOM 0 HA HIS A 3 13.801 8.945 0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.848 9.475 0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.080 10.266 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.332 8.362 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.439 6.254 -3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.886 6.692 -2.973 1.00 0.00 H new ATOM 36 N MET A 4 12.757 10.928 2.453 1.00 0.00 N ATOM 37 CA MET A 4 12.782 11.821 3.599 1.00 0.00 C ATOM 38 C MET A 4 11.395 11.936 4.234 1.00 0.00 C ATOM 39 O MET A 4 10.946 13.035 4.557 1.00 0.00 O ATOM 40 CB MET A 4 13.259 13.206 3.156 1.00 0.00 C ATOM 41 CG MET A 4 14.783 13.246 3.026 1.00 0.00 C ATOM 42 SD MET A 4 15.539 12.990 4.623 1.00 0.00 S ATOM 43 CE MET A 4 16.091 11.302 4.437 1.00 0.00 C ATOM 0 H MET A 4 12.628 11.392 1.554 1.00 0.00 H new ATOM 0 HA MET A 4 13.467 11.412 4.341 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.802 13.463 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.932 13.955 3.877 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.117 12.477 2.329 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.096 14.206 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.955 10.769 5.378 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.510 10.813 3.655 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.146 11.292 4.164 1.00 0.00 H new ATOM 53 N LEU A 5 10.755 10.787 4.395 1.00 0.00 N ATOM 54 CA LEU A 5 9.429 10.746 4.986 1.00 0.00 C ATOM 55 C LEU A 5 9.493 11.296 6.412 1.00 0.00 C ATOM 56 O LEU A 5 8.465 11.625 7.002 1.00 0.00 O ATOM 57 CB LEU A 5 8.846 9.334 4.898 1.00 0.00 C ATOM 58 CG LEU A 5 9.219 8.382 6.036 1.00 0.00 C ATOM 59 CD1 LEU A 5 10.737 8.241 6.159 1.00 0.00 C ATOM 60 CD2 LEU A 5 8.576 8.825 7.353 1.00 0.00 C ATOM 0 H LEU A 5 11.131 9.878 4.126 1.00 0.00 H new ATOM 0 HA LEU A 5 8.744 11.384 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.760 9.413 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.168 8.887 3.957 1.00 0.00 H new ATOM 0 HG LEU A 5 8.823 7.395 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.974 7.559 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.142 7.847 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.178 9.217 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.857 8.132 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.922 9.827 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.491 8.832 7.244 1.00 0.00 H new ATOM 72 N ARG A 6 10.712 11.380 6.926 1.00 0.00 N ATOM 73 CA ARG A 6 10.924 11.884 8.272 1.00 0.00 C ATOM 74 C ARG A 6 10.584 13.375 8.340 1.00 0.00 C ATOM 75 O ARG A 6 9.914 13.821 9.270 1.00 0.00 O ATOM 76 CB ARG A 6 12.374 11.679 8.715 1.00 0.00 C ATOM 77 CG ARG A 6 12.477 11.616 10.240 1.00 0.00 C ATOM 78 CD ARG A 6 13.155 12.870 10.796 1.00 0.00 C ATOM 79 NE ARG A 6 14.373 12.496 11.548 1.00 0.00 N ATOM 80 CZ ARG A 6 15.323 13.373 11.937 1.00 0.00 C ATOM 81 NH1 ARG A 6 15.202 14.686 11.647 1.00 0.00 N ATOM 82 NH2 ARG A 6 16.371 12.928 12.604 1.00 0.00 N ATOM 0 H ARG A 6 11.563 11.107 6.434 1.00 0.00 H new ATOM 0 HA ARG A 6 10.269 11.327 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.764 10.758 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.992 12.494 8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.481 11.515 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.043 10.732 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.414 13.545 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.466 13.407 11.448 1.00 0.00 H new ATOM 0 HE ARG A 6 14.503 11.513 11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.389 15.021 11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.924 15.343 11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.455 11.934 12.819 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.097 13.578 12.905 1.00 0.00 H new ATOM 95 N ASP A 7 11.061 14.104 7.341 1.00 0.00 N ATOM 96 CA ASP A 7 10.816 15.534 7.276 1.00 0.00 C ATOM 97 C ASP A 7 9.517 15.791 6.508 1.00 0.00 C ATOM 98 O ASP A 7 9.000 16.907 6.510 1.00 0.00 O ATOM 99 CB ASP A 7 11.949 16.254 6.542 1.00 0.00 C ATOM 100 CG ASP A 7 12.159 17.714 6.951 1.00 0.00 C ATOM 101 OD1 ASP A 7 12.598 18.006 8.073 1.00 0.00 O ATOM 102 OD2 ASP A 7 11.848 18.583 6.049 1.00 0.00 O ATOM 0 H ASP A 7 11.616 13.731 6.571 1.00 0.00 H new ATOM 0 HA ASP A 7 10.750 15.911 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.877 15.708 6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.749 16.217 5.471 1.00 0.00 H new ATOM 108 N ARG A 8 9.028 14.738 5.869 1.00 0.00 N ATOM 109 CA ARG A 8 7.800 14.835 5.098 1.00 0.00 C ATOM 110 C ARG A 8 6.592 14.525 5.984 1.00 0.00 C ATOM 111 O ARG A 8 5.564 15.195 5.895 1.00 0.00 O ATOM 112 CB ARG A 8 7.816 13.868 3.913 1.00 0.00 C ATOM 113 CG ARG A 8 7.603 14.614 2.594 1.00 0.00 C ATOM 114 CD ARG A 8 8.922 15.185 2.068 1.00 0.00 C ATOM 115 NE ARG A 8 8.767 16.627 1.775 1.00 0.00 N ATOM 116 CZ ARG A 8 8.321 17.117 0.598 1.00 0.00 C ATOM 117 NH1 ARG A 8 7.981 16.282 -0.407 1.00 0.00 N ATOM 118 NH2 ARG A 8 8.222 18.424 0.445 1.00 0.00 N ATOM 0 H ARG A 8 9.460 13.814 5.869 1.00 0.00 H new ATOM 0 HA ARG A 8 7.726 15.854 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.767 13.337 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.036 13.118 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.175 13.937 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.886 15.421 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.711 15.038 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.225 14.653 1.166 1.00 0.00 H new ATOM 0 HE ARG A 8 9.012 17.293 2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.060 15.273 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.645 16.660 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.481 19.048 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.887 18.810 -0.438 1.00 0.00 H new ATOM 131 N LEU A 9 6.755 13.509 6.818 1.00 0.00 N ATOM 132 CA LEU A 9 5.690 13.102 7.719 1.00 0.00 C ATOM 133 C LEU A 9 5.231 14.310 8.539 1.00 0.00 C ATOM 134 O LEU A 9 4.126 14.315 9.079 1.00 0.00 O ATOM 135 CB LEU A 9 6.136 11.914 8.574 1.00 0.00 C ATOM 136 CG LEU A 9 7.292 12.179 9.541 1.00 0.00 C ATOM 137 CD1 LEU A 9 6.918 13.259 10.558 1.00 0.00 C ATOM 138 CD2 LEU A 9 7.747 10.885 10.219 1.00 0.00 C ATOM 0 H LEU A 9 7.609 12.955 6.889 1.00 0.00 H new ATOM 0 HA LEU A 9 4.826 12.753 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.279 11.565 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.425 11.101 7.908 1.00 0.00 H new ATOM 0 HG LEU A 9 8.139 12.556 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.756 13.429 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.681 14.185 10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.050 12.934 11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.569 11.101 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.916 10.455 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.081 10.175 9.462 1.00 0.00 H new ATOM 150 N ALA A 10 6.104 15.305 8.605 1.00 0.00 N ATOM 151 CA ALA A 10 5.802 16.516 9.349 1.00 0.00 C ATOM 152 C ALA A 10 4.762 17.336 8.581 1.00 0.00 C ATOM 153 O ALA A 10 4.501 18.489 8.921 1.00 0.00 O ATOM 154 CB ALA A 10 7.093 17.299 9.597 1.00 0.00 C ATOM 0 H ALA A 10 7.020 15.297 8.156 1.00 0.00 H new ATOM 0 HA ALA A 10 5.377 16.272 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.866 18.207 10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.787 16.684 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.547 17.564 8.642 1.00 0.00 H new ATOM 160 N GLY A 11 4.198 16.708 7.560 1.00 0.00 N ATOM 161 CA GLY A 11 3.193 17.365 6.741 1.00 0.00 C ATOM 162 C GLY A 11 2.104 16.379 6.314 1.00 0.00 C ATOM 163 O GLY A 11 1.339 16.655 5.391 1.00 0.00 O ATOM 0 H GLY A 11 4.417 15.752 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.745 18.188 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.664 17.797 5.858 1.00 0.00 H new ATOM 167 N LEU A 12 2.069 15.249 7.005 1.00 0.00 N ATOM 168 CA LEU A 12 1.086 14.220 6.709 1.00 0.00 C ATOM 169 C LEU A 12 0.908 14.113 5.193 1.00 0.00 C ATOM 170 O LEU A 12 -0.162 14.415 4.667 1.00 0.00 O ATOM 171 CB LEU A 12 -0.217 14.490 7.464 1.00 0.00 C ATOM 172 CG LEU A 12 -0.156 14.332 8.984 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.018 12.860 9.377 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.961 15.191 9.581 1.00 0.00 C ATOM 0 H LEU A 12 2.706 15.023 7.769 1.00 0.00 H new ATOM 0 HA LEU A 12 1.434 13.248 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.542 15.505 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.983 13.817 7.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.097 14.691 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.023 12.776 10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.875 12.301 9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.897 12.453 8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.982 15.060 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.919 14.886 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.779 16.240 9.346 1.00 0.00 H new ATOM 186 N PRO A 13 2.001 13.672 4.515 1.00 0.00 N ATOM 187 CA PRO A 13 1.976 13.521 3.070 1.00 0.00 C ATOM 188 C PRO A 13 1.179 12.281 2.662 1.00 0.00 C ATOM 189 O PRO A 13 0.547 11.641 3.501 1.00 0.00 O ATOM 190 CB PRO A 13 3.437 13.452 2.656 1.00 0.00 C ATOM 191 CG PRO A 13 4.211 13.099 3.916 1.00 0.00 C ATOM 192 CD PRO A 13 3.286 13.305 5.104 1.00 0.00 C ATOM 0 HA PRO A 13 1.473 14.348 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.588 12.700 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.772 14.405 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.556 12.066 3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.097 13.727 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.202 12.398 5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.658 14.089 5.764 1.00 0.00 H new ATOM 200 N ARG A 14 1.236 11.978 1.373 1.00 0.00 N ATOM 201 CA ARG A 14 0.527 10.825 0.844 1.00 0.00 C ATOM 202 C ARG A 14 1.228 9.532 1.265 1.00 0.00 C ATOM 203 O ARG A 14 0.578 8.506 1.465 1.00 0.00 O ATOM 204 CB ARG A 14 0.449 10.880 -0.683 1.00 0.00 C ATOM 205 CG ARG A 14 -0.996 10.734 -1.164 1.00 0.00 C ATOM 206 CD ARG A 14 -1.551 12.075 -1.648 1.00 0.00 C ATOM 207 NE ARG A 14 -2.197 11.909 -2.969 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.423 12.921 -3.834 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.057 14.182 -3.523 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.007 12.658 -4.988 1.00 0.00 N ATOM 0 H ARG A 14 1.762 12.511 0.680 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.485 10.843 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.860 11.825 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.060 10.085 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.042 10.004 -1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.616 10.351 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.272 12.461 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.746 12.807 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.490 10.971 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.606 14.376 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.231 14.941 -4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.280 11.702 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.185 13.411 -5.653 1.00 0.00 H new ATOM 223 N ALA A 15 2.544 9.622 1.389 1.00 0.00 N ATOM 224 CA ALA A 15 3.339 8.472 1.783 1.00 0.00 C ATOM 225 C ALA A 15 2.895 8.001 3.169 1.00 0.00 C ATOM 226 O ALA A 15 2.565 6.831 3.355 1.00 0.00 O ATOM 227 CB ALA A 15 4.824 8.839 1.739 1.00 0.00 C ATOM 0 H ALA A 15 3.080 10.474 1.223 1.00 0.00 H new ATOM 0 HA ALA A 15 3.187 7.645 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.421 7.976 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.095 9.138 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.015 9.665 2.425 1.00 0.00 H new ATOM 233 N GLU A 16 2.902 8.937 4.107 1.00 0.00 N ATOM 234 CA GLU A 16 2.504 8.632 5.471 1.00 0.00 C ATOM 235 C GLU A 16 1.026 8.241 5.518 1.00 0.00 C ATOM 236 O GLU A 16 0.683 7.150 5.970 1.00 0.00 O ATOM 237 CB GLU A 16 2.789 9.813 6.402 1.00 0.00 C ATOM 238 CG GLU A 16 3.204 9.327 7.792 1.00 0.00 C ATOM 239 CD GLU A 16 1.987 8.871 8.599 1.00 0.00 C ATOM 240 OE1 GLU A 16 1.129 9.696 8.947 1.00 0.00 O ATOM 241 OE2 GLU A 16 1.949 7.608 8.862 1.00 0.00 O ATOM 0 H GLU A 16 3.177 9.907 3.949 1.00 0.00 H new ATOM 0 HA GLU A 16 3.095 7.785 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.580 10.432 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.901 10.440 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.911 8.503 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.718 10.128 8.323 1.00 0.00 H new ATOM 249 N ARG A 17 0.190 9.154 5.045 1.00 0.00 N ATOM 250 CA ARG A 17 -1.244 8.918 5.027 1.00 0.00 C ATOM 251 C ARG A 17 -1.548 7.541 4.434 1.00 0.00 C ATOM 252 O ARG A 17 -2.483 6.868 4.864 1.00 0.00 O ATOM 253 CB ARG A 17 -1.968 9.989 4.209 1.00 0.00 C ATOM 254 CG ARG A 17 -3.429 10.118 4.646 1.00 0.00 C ATOM 255 CD ARG A 17 -4.275 10.764 3.547 1.00 0.00 C ATOM 256 NE ARG A 17 -3.877 12.178 3.368 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.607 13.089 2.689 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.780 12.741 2.119 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.156 14.326 2.592 1.00 0.00 N ATOM 0 H ARG A 17 0.478 10.058 4.671 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.600 8.961 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.463 10.947 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.922 9.736 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.829 9.133 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.489 10.716 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.147 10.220 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.332 10.705 3.808 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.997 12.483 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.122 11.783 2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.325 13.436 1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.269 14.581 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.695 15.027 2.083 1.00 0.00 H new ATOM 272 N THR A 18 -0.740 7.162 3.454 1.00 0.00 N ATOM 273 CA THR A 18 -0.911 5.877 2.797 1.00 0.00 C ATOM 274 C THR A 18 -0.225 4.771 3.602 1.00 0.00 C ATOM 275 O THR A 18 -0.735 3.655 3.689 1.00 0.00 O ATOM 276 CB THR A 18 -0.383 6.004 1.367 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.259 6.947 0.755 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.585 4.724 0.553 1.00 0.00 C ATOM 0 H THR A 18 0.035 7.722 3.099 1.00 0.00 H new ATOM 0 HA THR A 18 -1.963 5.595 2.747 1.00 0.00 H new ATOM 0 HB THR A 18 0.678 6.254 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.774 7.781 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.193 4.868 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.058 3.900 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.649 4.491 0.499 1.00 0.00 H new ATOM 286 N ALA A 19 0.920 5.120 4.171 1.00 0.00 N ATOM 287 CA ALA A 19 1.680 4.171 4.966 1.00 0.00 C ATOM 288 C ALA A 19 0.889 3.820 6.228 1.00 0.00 C ATOM 289 O ALA A 19 1.036 2.728 6.773 1.00 0.00 O ATOM 290 CB ALA A 19 3.056 4.759 5.286 1.00 0.00 C ATOM 0 H ALA A 19 1.339 6.047 4.097 1.00 0.00 H new ATOM 0 HA ALA A 19 1.841 3.247 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.626 4.047 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.589 4.964 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.934 5.686 5.846 1.00 0.00 H new ATOM 296 N GLU A 20 0.066 4.767 6.655 1.00 0.00 N ATOM 297 CA GLU A 20 -0.748 4.572 7.842 1.00 0.00 C ATOM 298 C GLU A 20 -1.974 3.719 7.510 1.00 0.00 C ATOM 299 O GLU A 20 -2.375 2.867 8.302 1.00 0.00 O ATOM 300 CB GLU A 20 -1.162 5.913 8.450 1.00 0.00 C ATOM 301 CG GLU A 20 -2.204 5.718 9.553 1.00 0.00 C ATOM 302 CD GLU A 20 -1.786 6.436 10.837 1.00 0.00 C ATOM 303 OE1 GLU A 20 -0.733 6.119 11.410 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.598 7.356 11.236 1.00 0.00 O ATOM 0 H GLU A 20 -0.054 5.672 6.200 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.151 4.043 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.286 6.417 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.568 6.559 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.169 6.098 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.332 4.654 9.753 1.00 0.00 H new ATOM 312 N LEU A 21 -2.535 3.978 6.338 1.00 0.00 N ATOM 313 CA LEU A 21 -3.708 3.244 5.891 1.00 0.00 C ATOM 314 C LEU A 21 -3.313 1.798 5.584 1.00 0.00 C ATOM 315 O LEU A 21 -4.120 0.884 5.744 1.00 0.00 O ATOM 316 CB LEU A 21 -4.374 3.963 4.716 1.00 0.00 C ATOM 317 CG LEU A 21 -5.785 4.497 4.969 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.761 6.003 5.240 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.723 4.137 3.815 1.00 0.00 C ATOM 0 H LEU A 21 -2.200 4.685 5.684 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.459 3.209 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.739 4.798 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.413 3.276 3.871 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.177 4.015 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.777 6.357 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.148 6.205 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.341 6.521 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.719 4.528 4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.346 4.573 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.773 3.053 3.712 1.00 0.00 H new ATOM 331 N VAL A 22 -2.072 1.637 5.149 1.00 0.00 N ATOM 332 CA VAL A 22 -1.561 0.318 4.818 1.00 0.00 C ATOM 333 C VAL A 22 -1.500 -0.534 6.087 1.00 0.00 C ATOM 334 O VAL A 22 -2.217 -1.526 6.208 1.00 0.00 O ATOM 335 CB VAL A 22 -0.207 0.442 4.116 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.633 -0.821 4.316 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.387 0.751 2.628 1.00 0.00 C ATOM 0 H VAL A 22 -1.406 2.398 5.018 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.229 -0.186 4.120 1.00 0.00 H new ATOM 0 HB VAL A 22 0.330 1.276 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.590 -0.706 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.805 -0.979 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.103 -1.679 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.590 0.834 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.953 -0.052 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.927 1.691 2.514 1.00 0.00 H new ATOM 347 N ARG A 23 -0.637 -0.116 7.001 1.00 0.00 N ATOM 348 CA ARG A 23 -0.473 -0.828 8.257 1.00 0.00 C ATOM 349 C ARG A 23 -1.825 -0.997 8.952 1.00 0.00 C ATOM 350 O ARG A 23 -1.981 -1.860 9.815 1.00 0.00 O ATOM 351 CB ARG A 23 0.484 -0.085 9.192 1.00 0.00 C ATOM 352 CG ARG A 23 1.212 -1.059 10.119 1.00 0.00 C ATOM 353 CD ARG A 23 2.448 -0.405 10.740 1.00 0.00 C ATOM 354 NE ARG A 23 3.508 -1.417 10.944 1.00 0.00 N ATOM 355 CZ ARG A 23 4.812 -1.121 11.128 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.229 0.164 11.135 1.00 0.00 N ATOM 357 NH2 ARG A 23 5.674 -2.105 11.300 1.00 0.00 N ATOM 0 H ARG A 23 -0.044 0.707 6.897 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.052 -1.807 8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.211 0.475 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.072 0.641 9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.536 -1.390 10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.508 -1.947 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.814 0.391 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.186 0.056 11.692 1.00 0.00 H new ATOM 0 HE ARG A 23 3.236 -2.400 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.557 0.919 11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.216 0.379 11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.351 -3.073 11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.663 -1.898 11.440 1.00 0.00 H new ATOM 370 N LEU A 24 -2.770 -0.159 8.550 1.00 0.00 N ATOM 371 CA LEU A 24 -4.104 -0.205 9.123 1.00 0.00 C ATOM 372 C LEU A 24 -4.913 -1.305 8.434 1.00 0.00 C ATOM 373 O LEU A 24 -5.612 -2.073 9.094 1.00 0.00 O ATOM 374 CB LEU A 24 -4.763 1.175 9.059 1.00 0.00 C ATOM 375 CG LEU A 24 -6.248 1.227 9.423 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.689 2.662 9.718 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.103 0.577 8.333 1.00 0.00 C ATOM 0 H LEU A 24 -2.638 0.556 7.834 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.055 -0.461 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.222 1.845 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.643 1.566 8.049 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.397 0.650 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.748 2.672 9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.110 3.056 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.523 3.282 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.154 0.627 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.956 1.106 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.809 -0.466 8.214 1.00 0.00 H new ATOM 389 N VAL A 25 -4.792 -1.347 7.115 1.00 0.00 N ATOM 390 CA VAL A 25 -5.503 -2.341 6.330 1.00 0.00 C ATOM 391 C VAL A 25 -4.894 -3.720 6.587 1.00 0.00 C ATOM 392 O VAL A 25 -5.536 -4.741 6.346 1.00 0.00 O ATOM 393 CB VAL A 25 -5.488 -1.947 4.851 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.456 -2.769 4.076 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.880 -2.090 4.232 1.00 0.00 C ATOM 0 H VAL A 25 -4.212 -0.708 6.571 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.550 -2.388 6.631 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.199 -0.898 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.465 -2.470 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.464 -2.596 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.702 -3.828 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.842 -1.804 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.210 -3.125 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.581 -1.443 4.759 1.00 0.00 H new ATOM 405 N ARG A 26 -3.662 -3.706 7.075 1.00 0.00 N ATOM 406 CA ARG A 26 -2.959 -4.943 7.368 1.00 0.00 C ATOM 407 C ARG A 26 -3.475 -5.551 8.674 1.00 0.00 C ATOM 408 O ARG A 26 -3.769 -6.744 8.734 1.00 0.00 O ATOM 409 CB ARG A 26 -1.452 -4.706 7.484 1.00 0.00 C ATOM 410 CG ARG A 26 -0.765 -4.866 6.126 1.00 0.00 C ATOM 411 CD ARG A 26 0.651 -4.287 6.157 1.00 0.00 C ATOM 412 NE ARG A 26 1.495 -5.063 7.093 1.00 0.00 N ATOM 413 CZ ARG A 26 2.679 -4.633 7.579 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.169 -3.428 7.220 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.349 -5.409 8.410 1.00 0.00 N ATOM 0 H ARG A 26 -3.133 -2.857 7.275 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.144 -5.632 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.267 -3.705 7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.023 -5.410 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.724 -5.921 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.351 -4.363 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.085 -4.312 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.619 -3.242 6.465 1.00 0.00 H new ATOM 0 HE ARG A 26 1.161 -5.980 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.644 -2.835 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.064 -3.110 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.971 -6.318 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.245 -5.100 8.786 1.00 0.00 H new ATOM 428 N THR A 27 -3.570 -4.702 9.687 1.00 0.00 N ATOM 429 CA THR A 27 -4.045 -5.140 10.988 1.00 0.00 C ATOM 430 C THR A 27 -5.569 -5.277 10.980 1.00 0.00 C ATOM 431 O THR A 27 -6.112 -6.239 11.523 1.00 0.00 O ATOM 432 CB THR A 27 -3.530 -4.153 12.037 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.560 -2.893 11.372 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.050 -4.366 12.365 1.00 0.00 C ATOM 0 H THR A 27 -3.326 -3.713 9.633 1.00 0.00 H new ATOM 0 HA THR A 27 -3.661 -6.130 11.236 1.00 0.00 H new ATOM 0 HB THR A 27 -4.121 -4.250 12.948 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.657 -2.661 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.735 -3.640 13.114 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.905 -5.374 12.753 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.455 -4.236 11.461 1.00 0.00 H new ATOM 442 N SER A 28 -6.216 -4.302 10.359 1.00 0.00 N ATOM 443 CA SER A 28 -7.667 -4.302 10.274 1.00 0.00 C ATOM 444 C SER A 28 -8.147 -5.546 9.523 1.00 0.00 C ATOM 445 O SER A 28 -9.206 -6.091 9.830 1.00 0.00 O ATOM 446 CB SER A 28 -8.178 -3.035 9.584 1.00 0.00 C ATOM 447 OG SER A 28 -7.829 -1.857 10.306 1.00 0.00 O ATOM 0 H SER A 28 -5.762 -3.506 9.910 1.00 0.00 H new ATOM 0 HA SER A 28 -8.069 -4.319 11.287 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.765 -2.979 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.262 -3.090 9.481 1.00 0.00 H new ATOM 0 HG SER A 28 -6.920 -1.582 10.064 1.00 0.00 H new ATOM 453 N THR A 29 -7.344 -5.958 8.552 1.00 0.00 N ATOM 454 CA THR A 29 -7.674 -7.127 7.755 1.00 0.00 C ATOM 455 C THR A 29 -7.520 -8.401 8.588 1.00 0.00 C ATOM 456 O THR A 29 -8.493 -9.119 8.817 1.00 0.00 O ATOM 457 CB THR A 29 -6.794 -7.109 6.503 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.400 -6.129 5.666 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.898 -8.405 5.696 1.00 0.00 C ATOM 0 H THR A 29 -6.467 -5.503 8.300 1.00 0.00 H new ATOM 0 HA THR A 29 -8.717 -7.108 7.437 1.00 0.00 H new ATOM 0 HB THR A 29 -5.756 -6.943 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.122 -5.235 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.254 -8.340 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.584 -9.245 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.930 -8.554 5.379 1.00 0.00 H new ATOM 467 N ALA A 30 -6.291 -8.644 9.018 1.00 0.00 N ATOM 468 CA ALA A 30 -5.997 -9.819 9.821 1.00 0.00 C ATOM 469 C ALA A 30 -7.030 -9.936 10.944 1.00 0.00 C ATOM 470 O ALA A 30 -7.351 -11.038 11.384 1.00 0.00 O ATOM 471 CB ALA A 30 -4.565 -9.730 10.352 1.00 0.00 C ATOM 0 H ALA A 30 -5.487 -8.047 8.826 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.064 -10.723 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.345 -10.611 10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.869 -9.679 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.460 -8.836 10.966 1.00 0.00 H new ATOM 477 N THR A 31 -7.521 -8.783 11.374 1.00 0.00 N ATOM 478 CA THR A 31 -8.511 -8.742 12.437 1.00 0.00 C ATOM 479 C THR A 31 -9.805 -9.423 11.988 1.00 0.00 C ATOM 480 O THR A 31 -10.490 -10.054 12.791 1.00 0.00 O ATOM 481 CB THR A 31 -8.704 -7.280 12.847 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.456 -6.915 13.430 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.710 -7.120 13.988 1.00 0.00 C ATOM 0 H THR A 31 -7.252 -7.871 11.006 1.00 0.00 H new ATOM 0 HA THR A 31 -8.175 -9.299 13.312 1.00 0.00 H new ATOM 0 HB THR A 31 -9.038 -6.703 11.985 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.967 -6.328 12.816 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.810 -6.064 14.240 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.678 -7.512 13.677 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.360 -7.670 14.862 1.00 0.00 H new ATOM 491 N VAL A 32 -10.101 -9.272 10.705 1.00 0.00 N ATOM 492 CA VAL A 32 -11.301 -9.865 10.139 1.00 0.00 C ATOM 493 C VAL A 32 -11.250 -11.383 10.324 1.00 0.00 C ATOM 494 O VAL A 32 -12.273 -12.015 10.581 1.00 0.00 O ATOM 495 CB VAL A 32 -11.452 -9.445 8.676 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.678 -10.104 8.040 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.519 -7.922 8.547 1.00 0.00 C ATOM 0 H VAL A 32 -9.531 -8.748 10.042 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.188 -9.504 10.659 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.570 -9.788 8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.762 -9.789 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.572 -11.188 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.575 -9.805 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.626 -7.650 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.375 -7.547 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.604 -7.483 8.944 1.00 0.00 H new ATOM 507 N LEU A 33 -10.049 -11.924 10.184 1.00 0.00 N ATOM 508 CA LEU A 33 -9.851 -13.356 10.332 1.00 0.00 C ATOM 509 C LEU A 33 -10.090 -13.752 11.790 1.00 0.00 C ATOM 510 O LEU A 33 -10.403 -14.905 12.081 1.00 0.00 O ATOM 511 CB LEU A 33 -8.476 -13.765 9.801 1.00 0.00 C ATOM 512 CG LEU A 33 -8.404 -14.100 8.310 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.021 -13.779 7.741 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.806 -15.554 8.054 1.00 0.00 C ATOM 0 H LEU A 33 -9.203 -11.396 9.970 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.575 -13.904 9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.775 -12.956 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.135 -14.633 10.365 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.122 -13.470 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.998 -14.027 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.812 -12.717 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.266 -14.364 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.746 -15.765 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.131 -16.218 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.827 -15.715 8.399 1.00 0.00 H new ATOM 526 N GLY A 34 -9.933 -12.772 12.669 1.00 0.00 N ATOM 527 CA GLY A 34 -10.127 -13.004 14.090 1.00 0.00 C ATOM 528 C GLY A 34 -8.798 -13.314 14.782 1.00 0.00 C ATOM 529 O GLY A 34 -8.671 -14.330 15.463 1.00 0.00 O ATOM 0 H GLY A 34 -9.674 -11.816 12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.582 -12.125 14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.819 -13.834 14.235 1.00 0.00 H new ATOM 533 N HIS A 35 -7.842 -12.419 14.584 1.00 0.00 N ATOM 534 CA HIS A 35 -6.527 -12.584 15.180 1.00 0.00 C ATOM 535 C HIS A 35 -5.808 -11.234 15.219 1.00 0.00 C ATOM 536 O HIS A 35 -6.332 -10.233 14.733 1.00 0.00 O ATOM 537 CB HIS A 35 -5.727 -13.660 14.443 1.00 0.00 C ATOM 538 CG HIS A 35 -5.615 -14.965 15.196 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.352 -16.171 14.570 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.732 -15.239 16.527 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.315 -17.121 15.492 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.552 -16.542 16.704 1.00 0.00 N ATOM 0 H HIS A 35 -7.952 -11.577 14.019 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.631 -12.931 16.208 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.195 -13.849 13.477 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.725 -13.280 14.243 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.936 -14.518 17.305 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.130 -18.170 15.315 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.585 -17.030 17.599 1.00 0.00 H new ATOM 550 N ASP A 36 -4.618 -11.250 15.802 1.00 0.00 N ATOM 551 CA ASP A 36 -3.822 -10.040 15.911 1.00 0.00 C ATOM 552 C ASP A 36 -2.347 -10.384 15.699 1.00 0.00 C ATOM 553 O ASP A 36 -1.511 -10.109 16.558 1.00 0.00 O ATOM 554 CB ASP A 36 -3.965 -9.409 17.298 1.00 0.00 C ATOM 555 CG ASP A 36 -5.148 -8.451 17.453 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.489 -7.702 16.526 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.736 -8.492 18.600 1.00 0.00 O ATOM 0 H ASP A 36 -4.186 -12.082 16.204 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.174 -9.336 15.156 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.063 -10.206 18.035 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.047 -8.870 17.532 1.00 0.00 H new ATOM 563 N ASP A 37 -2.071 -10.981 14.548 1.00 0.00 N ATOM 564 CA ASP A 37 -0.711 -11.366 14.212 1.00 0.00 C ATOM 565 C ASP A 37 -0.347 -10.793 12.841 1.00 0.00 C ATOM 566 O ASP A 37 -0.444 -11.485 11.829 1.00 0.00 O ATOM 567 CB ASP A 37 -0.571 -12.888 14.140 1.00 0.00 C ATOM 568 CG ASP A 37 -1.415 -13.663 15.154 1.00 0.00 C ATOM 569 OD1 ASP A 37 -2.572 -14.016 14.884 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.829 -13.908 16.277 1.00 0.00 O ATOM 0 H ASP A 37 -2.766 -11.207 13.837 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.050 -10.979 14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.843 -13.216 13.137 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.477 -13.149 14.287 1.00 0.00 H new ATOM 576 N PRO A 38 0.073 -9.500 12.852 1.00 0.00 N ATOM 577 CA PRO A 38 0.452 -8.825 11.622 1.00 0.00 C ATOM 578 C PRO A 38 1.821 -9.303 11.133 1.00 0.00 C ATOM 579 O PRO A 38 2.158 -9.138 9.962 1.00 0.00 O ATOM 580 CB PRO A 38 0.426 -7.344 11.961 1.00 0.00 C ATOM 581 CG PRO A 38 0.489 -7.262 13.478 1.00 0.00 C ATOM 582 CD PRO A 38 0.200 -8.648 14.031 1.00 0.00 C ATOM 0 HA PRO A 38 -0.226 -9.043 10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.270 -6.825 11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.481 -6.872 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.472 -6.919 13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.239 -6.542 13.852 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.005 -8.990 14.682 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.714 -8.655 14.624 1.00 0.00 H new ATOM 590 N LYS A 39 2.573 -9.885 12.056 1.00 0.00 N ATOM 591 CA LYS A 39 3.897 -10.387 11.734 1.00 0.00 C ATOM 592 C LYS A 39 3.809 -11.296 10.506 1.00 0.00 C ATOM 593 O LYS A 39 4.767 -11.408 9.743 1.00 0.00 O ATOM 594 CB LYS A 39 4.526 -11.063 12.955 1.00 0.00 C ATOM 595 CG LYS A 39 3.855 -12.407 13.243 1.00 0.00 C ATOM 596 CD LYS A 39 4.308 -12.968 14.593 1.00 0.00 C ATOM 597 CE LYS A 39 3.901 -14.435 14.742 1.00 0.00 C ATOM 598 NZ LYS A 39 4.432 -14.995 16.005 1.00 0.00 N ATOM 0 H LYS A 39 2.290 -10.020 13.027 1.00 0.00 H new ATOM 0 HA LYS A 39 4.563 -9.564 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.592 -11.214 12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.432 -10.412 13.824 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.772 -12.285 13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.097 -13.116 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.390 -12.876 14.684 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.869 -12.381 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.814 -14.520 14.728 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.277 -15.010 13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.146 -15.991 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.470 -14.931 16.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.053 -14.456 16.810 1.00 0.00 H new ATOM 611 N ALA A 40 2.651 -11.920 10.354 1.00 0.00 N ATOM 612 CA ALA A 40 2.425 -12.815 9.232 1.00 0.00 C ATOM 613 C ALA A 40 1.572 -12.103 8.180 1.00 0.00 C ATOM 614 O ALA A 40 0.823 -12.744 7.444 1.00 0.00 O ATOM 615 CB ALA A 40 1.775 -14.107 9.732 1.00 0.00 C ATOM 0 H ALA A 40 1.859 -11.824 10.989 1.00 0.00 H new ATOM 0 HA ALA A 40 3.370 -13.086 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.605 -14.778 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.433 -14.590 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.822 -13.874 10.208 1.00 0.00 H new ATOM 621 N VAL A 41 1.713 -10.786 8.143 1.00 0.00 N ATOM 622 CA VAL A 41 0.965 -9.979 7.194 1.00 0.00 C ATOM 623 C VAL A 41 1.932 -9.077 6.425 1.00 0.00 C ATOM 624 O VAL A 41 2.872 -8.533 7.002 1.00 0.00 O ATOM 625 CB VAL A 41 -0.132 -9.198 7.922 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.843 -8.236 6.968 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.129 -10.146 8.590 1.00 0.00 C ATOM 0 H VAL A 41 2.334 -10.258 8.755 1.00 0.00 H new ATOM 0 HA VAL A 41 0.463 -10.614 6.464 1.00 0.00 H new ATOM 0 HB VAL A 41 0.341 -8.605 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.618 -7.693 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.121 -7.528 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.297 -8.801 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.898 -9.565 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.594 -10.778 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.607 -10.772 9.314 1.00 0.00 H new ATOM 637 N ARG A 42 1.667 -8.946 5.133 1.00 0.00 N ATOM 638 CA ARG A 42 2.502 -8.119 4.279 1.00 0.00 C ATOM 639 C ARG A 42 1.647 -7.088 3.538 1.00 0.00 C ATOM 640 O ARG A 42 0.445 -6.986 3.778 1.00 0.00 O ATOM 641 CB ARG A 42 3.260 -8.970 3.258 1.00 0.00 C ATOM 642 CG ARG A 42 4.737 -9.093 3.636 1.00 0.00 C ATOM 643 CD ARG A 42 5.343 -10.380 3.072 1.00 0.00 C ATOM 644 NE ARG A 42 5.557 -10.242 1.614 1.00 0.00 N ATOM 645 CZ ARG A 42 6.627 -9.633 1.061 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.592 -9.100 1.841 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.717 -9.568 -0.254 1.00 0.00 N ATOM 0 H ARG A 42 0.886 -9.399 4.658 1.00 0.00 H new ATOM 0 HA ARG A 42 3.224 -7.608 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.812 -9.962 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.170 -8.523 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.286 -8.232 3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.840 -9.083 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.290 -10.594 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.681 -11.222 3.273 1.00 0.00 H new ATOM 0 HE ARG A 42 4.852 -10.631 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.516 -9.156 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.397 -8.642 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.985 -9.974 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.519 -9.111 -0.688 1.00 0.00 H new ATOM 660 N ALA A 43 2.301 -6.351 2.652 1.00 0.00 N ATOM 661 CA ALA A 43 1.615 -5.332 1.875 1.00 0.00 C ATOM 662 C ALA A 43 1.209 -5.917 0.521 1.00 0.00 C ATOM 663 O ALA A 43 0.346 -5.368 -0.163 1.00 0.00 O ATOM 664 CB ALA A 43 2.518 -4.105 1.732 1.00 0.00 C ATOM 0 H ALA A 43 3.298 -6.439 2.455 1.00 0.00 H new ATOM 0 HA ALA A 43 0.705 -5.010 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.004 -3.341 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.754 -3.710 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.440 -4.389 1.225 1.00 0.00 H new ATOM 670 N THR A 44 1.849 -7.025 0.175 1.00 0.00 N ATOM 671 CA THR A 44 1.565 -7.690 -1.085 1.00 0.00 C ATOM 672 C THR A 44 1.031 -9.102 -0.834 1.00 0.00 C ATOM 673 O THR A 44 1.348 -10.031 -1.575 1.00 0.00 O ATOM 674 CB THR A 44 2.839 -7.664 -1.931 1.00 0.00 C ATOM 675 OG1 THR A 44 3.816 -8.294 -1.107 1.00 0.00 O ATOM 676 CG2 THR A 44 3.379 -6.247 -2.134 1.00 0.00 C ATOM 0 H THR A 44 2.563 -7.478 0.745 1.00 0.00 H new ATOM 0 HA THR A 44 0.780 -7.173 -1.637 1.00 0.00 H new ATOM 0 HB THR A 44 2.639 -8.118 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.674 -8.321 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.284 -6.286 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.628 -5.641 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.611 -5.804 -1.166 1.00 0.00 H new ATOM 684 N THR A 45 0.228 -9.218 0.214 1.00 0.00 N ATOM 685 CA THR A 45 -0.353 -10.501 0.572 1.00 0.00 C ATOM 686 C THR A 45 -1.717 -10.674 -0.099 1.00 0.00 C ATOM 687 O THR A 45 -2.447 -9.703 -0.290 1.00 0.00 O ATOM 688 CB THR A 45 -0.412 -10.584 2.099 1.00 0.00 C ATOM 689 OG1 THR A 45 0.923 -10.906 2.481 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.237 -11.775 2.589 1.00 0.00 C ATOM 0 H THR A 45 -0.034 -8.445 0.826 1.00 0.00 H new ATOM 0 HA THR A 45 0.259 -11.327 0.211 1.00 0.00 H new ATOM 0 HB THR A 45 -0.835 -9.661 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.537 -10.674 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.247 -11.787 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.258 -11.687 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.795 -12.700 2.220 1.00 0.00 H new ATOM 698 N PRO A 46 -2.028 -11.952 -0.447 1.00 0.00 N ATOM 699 CA PRO A 46 -3.291 -12.265 -1.092 1.00 0.00 C ATOM 700 C PRO A 46 -4.445 -12.221 -0.089 1.00 0.00 C ATOM 701 O PRO A 46 -4.607 -13.136 0.718 1.00 0.00 O ATOM 702 CB PRO A 46 -3.090 -13.641 -1.705 1.00 0.00 C ATOM 703 CG PRO A 46 -1.891 -14.244 -0.991 1.00 0.00 C ATOM 704 CD PRO A 46 -1.188 -13.127 -0.236 1.00 0.00 C ATOM 0 HA PRO A 46 -3.563 -11.538 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.976 -14.261 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.910 -13.568 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.210 -15.027 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.212 -14.706 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.096 -13.363 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.179 -12.966 -0.616 1.00 0.00 H new ATOM 712 N PHE A 47 -5.219 -11.148 -0.172 1.00 0.00 N ATOM 713 CA PHE A 47 -6.353 -10.973 0.719 1.00 0.00 C ATOM 714 C PHE A 47 -7.314 -12.160 0.623 1.00 0.00 C ATOM 715 O PHE A 47 -7.750 -12.694 1.642 1.00 0.00 O ATOM 716 CB PHE A 47 -7.082 -9.704 0.272 1.00 0.00 C ATOM 717 CG PHE A 47 -7.635 -8.865 1.425 1.00 0.00 C ATOM 718 CD1 PHE A 47 -6.843 -7.944 2.037 1.00 0.00 C ATOM 719 CD2 PHE A 47 -8.919 -9.039 1.838 1.00 0.00 C ATOM 720 CE1 PHE A 47 -7.357 -7.165 3.107 1.00 0.00 C ATOM 721 CE2 PHE A 47 -9.433 -8.260 2.908 1.00 0.00 C ATOM 722 CZ PHE A 47 -8.641 -7.339 3.520 1.00 0.00 C ATOM 0 H PHE A 47 -5.083 -10.392 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.008 -10.902 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.397 -9.091 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.904 -9.983 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.823 -7.805 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.548 -9.770 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.728 -6.434 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.453 -8.399 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.032 -6.746 4.334 1.00 0.00 H new ATOM 732 N LYS A 48 -7.616 -12.537 -0.610 1.00 0.00 N ATOM 733 CA LYS A 48 -8.518 -13.651 -0.853 1.00 0.00 C ATOM 734 C LYS A 48 -7.982 -14.898 -0.146 1.00 0.00 C ATOM 735 O LYS A 48 -8.755 -15.699 0.376 1.00 0.00 O ATOM 736 CB LYS A 48 -8.740 -13.843 -2.354 1.00 0.00 C ATOM 737 CG LYS A 48 -10.196 -14.207 -2.650 1.00 0.00 C ATOM 738 CD LYS A 48 -10.461 -15.686 -2.362 1.00 0.00 C ATOM 739 CE LYS A 48 -11.835 -16.110 -2.885 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.765 -16.352 -1.760 1.00 0.00 N ATOM 0 H LYS A 48 -7.252 -12.091 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.502 -13.443 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.475 -12.928 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.082 -14.629 -2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.859 -13.590 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.424 -13.989 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.687 -16.295 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.405 -15.867 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.238 -15.335 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.739 -17.014 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.693 -16.639 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.387 -17.107 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.870 -15.480 -1.203 1.00 0.00 H new ATOM 753 N GLU A 49 -6.663 -15.022 -0.153 1.00 0.00 N ATOM 754 CA GLU A 49 -6.016 -16.158 0.481 1.00 0.00 C ATOM 755 C GLU A 49 -6.244 -16.123 1.993 1.00 0.00 C ATOM 756 O GLU A 49 -6.545 -17.148 2.603 1.00 0.00 O ATOM 757 CB GLU A 49 -4.522 -16.191 0.153 1.00 0.00 C ATOM 758 CG GLU A 49 -4.278 -16.799 -1.230 1.00 0.00 C ATOM 759 CD GLU A 49 -3.912 -18.281 -1.121 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.745 -18.614 -0.865 1.00 0.00 O ATOM 761 OE2 GLU A 49 -4.891 -19.099 -1.311 1.00 0.00 O ATOM 0 H GLU A 49 -6.025 -14.355 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.462 -17.071 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.116 -15.180 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.993 -16.772 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.172 -16.686 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.476 -16.259 -1.732 1.00 0.00 H new ATOM 769 N LEU A 50 -6.093 -14.933 2.555 1.00 0.00 N ATOM 770 CA LEU A 50 -6.279 -14.751 3.985 1.00 0.00 C ATOM 771 C LEU A 50 -7.546 -15.485 4.428 1.00 0.00 C ATOM 772 O LEU A 50 -7.664 -15.884 5.585 1.00 0.00 O ATOM 773 CB LEU A 50 -6.275 -13.263 4.341 1.00 0.00 C ATOM 774 CG LEU A 50 -4.906 -12.649 4.643 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.535 -11.594 3.600 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.859 -12.090 6.067 1.00 0.00 C ATOM 0 H LEU A 50 -5.844 -14.085 2.046 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.447 -15.189 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.724 -12.711 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.917 -13.116 5.210 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.157 -13.438 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.558 -11.174 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.501 -12.055 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.282 -10.800 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.876 -11.659 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.621 -11.319 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.047 -12.893 6.780 1.00 0.00 H new ATOM 788 N GLY A 51 -8.461 -15.643 3.483 1.00 0.00 N ATOM 789 CA GLY A 51 -9.715 -16.322 3.761 1.00 0.00 C ATOM 790 C GLY A 51 -10.855 -15.318 3.937 1.00 0.00 C ATOM 791 O GLY A 51 -11.748 -15.525 4.758 1.00 0.00 O ATOM 0 H GLY A 51 -8.359 -15.312 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.951 -17.006 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.614 -16.925 4.664 1.00 0.00 H new ATOM 795 N PHE A 52 -10.789 -14.251 3.154 1.00 0.00 N ATOM 796 CA PHE A 52 -11.805 -13.215 3.213 1.00 0.00 C ATOM 797 C PHE A 52 -12.802 -13.357 2.062 1.00 0.00 C ATOM 798 O PHE A 52 -12.475 -13.063 0.913 1.00 0.00 O ATOM 799 CB PHE A 52 -11.082 -11.872 3.083 1.00 0.00 C ATOM 800 CG PHE A 52 -10.095 -11.584 4.217 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.487 -11.725 5.511 1.00 0.00 C ATOM 802 CD2 PHE A 52 -8.826 -11.188 3.929 1.00 0.00 C ATOM 803 CE1 PHE A 52 -9.571 -11.458 6.563 1.00 0.00 C ATOM 804 CE2 PHE A 52 -7.911 -10.921 4.981 1.00 0.00 C ATOM 805 CZ PHE A 52 -8.302 -11.062 6.276 1.00 0.00 C ATOM 0 H PHE A 52 -10.047 -14.082 2.475 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.359 -13.291 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.546 -11.850 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.823 -11.074 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.495 -12.040 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.515 -11.077 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.882 -11.569 7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.904 -10.606 4.753 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.605 -10.860 7.076 1.00 0.00 H new ATOM 815 N ASP A 53 -13.998 -13.809 2.409 1.00 0.00 N ATOM 816 CA ASP A 53 -15.045 -13.994 1.419 1.00 0.00 C ATOM 817 C ASP A 53 -15.938 -12.752 1.389 1.00 0.00 C ATOM 818 O ASP A 53 -15.723 -11.810 2.150 1.00 0.00 O ATOM 819 CB ASP A 53 -15.922 -15.199 1.764 1.00 0.00 C ATOM 820 CG ASP A 53 -15.158 -16.486 2.080 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.862 -17.290 1.183 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.860 -16.652 3.324 1.00 0.00 O ATOM 0 H ASP A 53 -14.265 -14.053 3.363 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.570 -14.159 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.543 -14.943 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.596 -15.390 0.929 1.00 0.00 H new ATOM 828 N SER A 54 -16.921 -12.791 0.501 1.00 0.00 N ATOM 829 CA SER A 54 -17.848 -11.681 0.362 1.00 0.00 C ATOM 830 C SER A 54 -18.150 -11.076 1.735 1.00 0.00 C ATOM 831 O SER A 54 -18.291 -9.861 1.864 1.00 0.00 O ATOM 832 CB SER A 54 -19.144 -12.127 -0.318 1.00 0.00 C ATOM 833 OG SER A 54 -18.895 -12.972 -1.438 1.00 0.00 O ATOM 0 H SER A 54 -17.095 -13.574 -0.129 1.00 0.00 H new ATOM 0 HA SER A 54 -17.382 -10.923 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.769 -12.655 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.704 -11.250 -0.643 1.00 0.00 H new ATOM 0 HG SER A 54 -19.747 -13.237 -1.844 1.00 0.00 H new ATOM 839 N LEU A 55 -18.240 -11.951 2.725 1.00 0.00 N ATOM 840 CA LEU A 55 -18.523 -11.519 4.083 1.00 0.00 C ATOM 841 C LEU A 55 -17.325 -10.737 4.624 1.00 0.00 C ATOM 842 O LEU A 55 -17.433 -9.544 4.905 1.00 0.00 O ATOM 843 CB LEU A 55 -18.922 -12.712 4.953 1.00 0.00 C ATOM 844 CG LEU A 55 -20.410 -13.069 4.960 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.621 -14.545 4.614 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.058 -12.695 6.294 1.00 0.00 C ATOM 0 H LEU A 55 -18.122 -12.958 2.614 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.379 -10.844 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.361 -13.584 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.613 -12.508 5.978 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.905 -12.482 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.687 -14.773 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.218 -14.747 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.109 -15.168 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.115 -12.959 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.566 -13.236 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.956 -11.623 6.460 1.00 0.00 H new ATOM 858 N ALA A 56 -16.209 -11.440 4.755 1.00 0.00 N ATOM 859 CA ALA A 56 -14.992 -10.826 5.257 1.00 0.00 C ATOM 860 C ALA A 56 -14.659 -9.596 4.411 1.00 0.00 C ATOM 861 O ALA A 56 -14.273 -8.557 4.945 1.00 0.00 O ATOM 862 CB ALA A 56 -13.862 -11.858 5.256 1.00 0.00 C ATOM 0 H ALA A 56 -16.123 -12.429 4.522 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.127 -10.491 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.949 -11.398 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.135 -12.698 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.696 -12.215 4.240 1.00 0.00 H new ATOM 868 N ALA A 57 -14.821 -9.754 3.106 1.00 0.00 N ATOM 869 CA ALA A 57 -14.542 -8.669 2.180 1.00 0.00 C ATOM 870 C ALA A 57 -15.421 -7.467 2.532 1.00 0.00 C ATOM 871 O ALA A 57 -15.015 -6.321 2.344 1.00 0.00 O ATOM 872 CB ALA A 57 -14.763 -9.152 0.745 1.00 0.00 C ATOM 0 H ALA A 57 -15.142 -10.617 2.667 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.502 -8.353 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.554 -8.338 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.096 -9.988 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.797 -9.474 0.625 1.00 0.00 H new ATOM 878 N VAL A 58 -16.608 -7.769 3.035 1.00 0.00 N ATOM 879 CA VAL A 58 -17.547 -6.727 3.415 1.00 0.00 C ATOM 880 C VAL A 58 -17.211 -6.231 4.823 1.00 0.00 C ATOM 881 O VAL A 58 -16.963 -5.043 5.023 1.00 0.00 O ATOM 882 CB VAL A 58 -18.982 -7.245 3.290 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.844 -6.758 4.457 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.596 -6.840 1.949 1.00 0.00 C ATOM 0 H VAL A 58 -16.942 -8.721 3.189 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.463 -5.874 2.742 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.950 -8.334 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.859 -7.140 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.423 -7.118 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.865 -5.668 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.615 -7.221 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.609 -5.753 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.002 -7.257 1.136 1.00 0.00 H new ATOM 894 N ARG A 59 -17.213 -7.166 5.761 1.00 0.00 N ATOM 895 CA ARG A 59 -16.912 -6.839 7.144 1.00 0.00 C ATOM 896 C ARG A 59 -15.757 -5.838 7.213 1.00 0.00 C ATOM 897 O ARG A 59 -15.736 -4.968 8.083 1.00 0.00 O ATOM 898 CB ARG A 59 -16.538 -8.093 7.938 1.00 0.00 C ATOM 899 CG ARG A 59 -17.557 -8.364 9.046 1.00 0.00 C ATOM 900 CD ARG A 59 -16.867 -8.872 10.314 1.00 0.00 C ATOM 901 NE ARG A 59 -16.836 -10.352 10.315 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.715 -11.105 11.429 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.613 -10.522 12.642 1.00 0.00 N ATOM 904 NH2 ARG A 59 -16.699 -12.420 11.314 1.00 0.00 N ATOM 0 H ARG A 59 -17.418 -8.150 5.590 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.807 -6.398 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.488 -8.951 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.546 -7.970 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.109 -7.451 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.284 -9.100 8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.852 -8.479 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.396 -8.510 11.196 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.911 -10.833 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.627 -9.505 12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.522 -11.098 13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.777 -12.852 10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.608 -13.004 12.146 1.00 0.00 H new ATOM 917 N LEU A 60 -14.825 -5.993 6.285 1.00 0.00 N ATOM 918 CA LEU A 60 -13.670 -5.113 6.229 1.00 0.00 C ATOM 919 C LEU A 60 -14.081 -3.778 5.604 1.00 0.00 C ATOM 920 O LEU A 60 -13.724 -2.716 6.111 1.00 0.00 O ATOM 921 CB LEU A 60 -12.508 -5.799 5.506 1.00 0.00 C ATOM 922 CG LEU A 60 -11.304 -4.913 5.181 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.213 -5.059 6.244 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.777 -5.199 3.774 1.00 0.00 C ATOM 0 H LEU A 60 -14.846 -6.715 5.565 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.307 -4.897 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.166 -6.632 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.885 -6.222 4.575 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.630 -3.873 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.369 -4.419 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.610 -4.766 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.882 -6.097 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.921 -4.556 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.471 -6.243 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.562 -5.002 3.044 1.00 0.00 H new ATOM 936 N ARG A 61 -14.826 -3.877 4.513 1.00 0.00 N ATOM 937 CA ARG A 61 -15.289 -2.690 3.814 1.00 0.00 C ATOM 938 C ARG A 61 -16.170 -1.843 4.734 1.00 0.00 C ATOM 939 O ARG A 61 -16.281 -0.631 4.550 1.00 0.00 O ATOM 940 CB ARG A 61 -16.082 -3.064 2.561 1.00 0.00 C ATOM 941 CG ARG A 61 -17.585 -3.077 2.847 1.00 0.00 C ATOM 942 CD ARG A 61 -18.196 -1.690 2.634 1.00 0.00 C ATOM 943 NE ARG A 61 -18.970 -1.666 1.373 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.275 -1.999 1.279 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.964 -2.385 2.373 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.866 -1.941 0.100 1.00 0.00 N ATOM 0 H ARG A 61 -15.120 -4.760 4.096 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.412 -2.116 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.866 -2.353 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.767 -4.045 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.077 -3.799 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.761 -3.402 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.844 -1.436 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.408 -0.938 2.601 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.487 -1.380 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.499 -2.427 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.950 -2.635 2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.337 -1.648 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.851 -2.189 0.011 1.00 0.00 H new ATOM 959 N ASN A 62 -16.776 -2.513 5.703 1.00 0.00 N ATOM 960 CA ASN A 62 -17.644 -1.837 6.651 1.00 0.00 C ATOM 961 C ASN A 62 -16.789 -1.114 7.694 1.00 0.00 C ATOM 962 O ASN A 62 -17.184 -0.070 8.211 1.00 0.00 O ATOM 963 CB ASN A 62 -18.541 -2.835 7.386 1.00 0.00 C ATOM 964 CG ASN A 62 -19.245 -3.769 6.399 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.266 -4.978 6.557 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.819 -3.142 5.376 1.00 0.00 N ATOM 0 H ASN A 62 -16.683 -3.518 5.852 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.265 -1.134 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.943 -3.421 8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -19.283 -2.297 7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.315 -3.677 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.763 -2.126 5.304 1.00 0.00 H new ATOM 973 N LEU A 63 -15.632 -1.697 7.971 1.00 0.00 N ATOM 974 CA LEU A 63 -14.717 -1.122 8.942 1.00 0.00 C ATOM 975 C LEU A 63 -13.839 -0.076 8.252 1.00 0.00 C ATOM 976 O LEU A 63 -13.661 1.027 8.766 1.00 0.00 O ATOM 977 CB LEU A 63 -13.923 -2.222 9.648 1.00 0.00 C ATOM 978 CG LEU A 63 -13.581 -1.966 11.117 1.00 0.00 C ATOM 979 CD1 LEU A 63 -14.008 -3.144 11.994 1.00 0.00 C ATOM 980 CD2 LEU A 63 -12.096 -1.636 11.285 1.00 0.00 C ATOM 0 H LEU A 63 -15.307 -2.562 7.540 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.270 -0.607 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.491 -3.150 9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.993 -2.379 9.101 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.145 -1.095 11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.753 -2.935 13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.085 -3.291 11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.491 -4.047 11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.880 -1.458 12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.495 -2.472 10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.854 -0.742 10.709 1.00 0.00 H new ATOM 992 N LEU A 64 -13.314 -0.460 7.098 1.00 0.00 N ATOM 993 CA LEU A 64 -12.459 0.431 6.332 1.00 0.00 C ATOM 994 C LEU A 64 -13.210 1.734 6.049 1.00 0.00 C ATOM 995 O LEU A 64 -12.597 2.751 5.727 1.00 0.00 O ATOM 996 CB LEU A 64 -11.946 -0.270 5.072 1.00 0.00 C ATOM 997 CG LEU A 64 -10.603 -0.991 5.205 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.071 -1.415 3.835 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.594 -0.133 5.971 1.00 0.00 C ATOM 0 H LEU A 64 -13.464 -1.376 6.675 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.571 0.693 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.695 -0.995 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.861 0.471 4.277 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.759 -1.900 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.116 -1.925 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.784 -2.089 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.934 -0.533 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.648 -0.669 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.436 0.805 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.978 0.077 6.969 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.526 1.661 6.179 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.367 2.821 5.941 1.00 0.00 C ATOM 1013 C ASN A 65 -14.956 3.947 6.892 1.00 0.00 C ATOM 1014 O ASN A 65 -15.258 5.114 6.645 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.840 2.497 6.202 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.552 2.102 4.906 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.019 2.218 3.815 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.782 1.630 5.087 1.00 0.00 N ATOM 0 H ASN A 65 -15.031 0.816 6.446 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.242 3.120 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.915 1.684 6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.334 3.363 6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.340 1.339 4.284 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.168 1.559 6.029 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.272 3.558 7.958 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.816 4.521 8.946 1.00 0.00 C ATOM 1027 C ALA A 66 -12.376 4.928 8.629 1.00 0.00 C ATOM 1028 O ALA A 66 -11.898 5.956 9.106 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.957 3.920 10.347 1.00 0.00 C ATOM 0 H ALA A 66 -14.023 2.590 8.159 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.428 5.423 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.615 4.642 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.002 3.675 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.354 3.015 10.417 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.724 4.100 7.826 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.348 4.360 7.440 1.00 0.00 C ATOM 1037 C ALA A 67 -10.313 5.523 6.445 1.00 0.00 C ATOM 1038 O ALA A 67 -9.385 6.329 6.459 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.728 3.084 6.867 1.00 0.00 C ATOM 0 H ALA A 67 -12.124 3.248 7.432 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.755 4.650 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.696 3.279 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.751 2.298 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.296 2.764 5.993 1.00 0.00 H new ATOM 1045 N THR A 68 -11.337 5.572 5.606 1.00 0.00 N ATOM 1046 CA THR A 68 -11.436 6.622 4.607 1.00 0.00 C ATOM 1047 C THR A 68 -12.512 7.635 5.002 1.00 0.00 C ATOM 1048 O THR A 68 -12.398 8.820 4.692 1.00 0.00 O ATOM 1049 CB THR A 68 -11.692 5.962 3.251 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.551 4.866 3.555 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.438 5.303 2.673 1.00 0.00 C ATOM 0 H THR A 68 -12.105 4.901 5.598 1.00 0.00 H new ATOM 0 HA THR A 68 -10.509 7.191 4.538 1.00 0.00 H new ATOM 0 HB THR A 68 -12.065 6.708 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.369 5.199 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.676 4.850 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.661 6.055 2.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.083 4.533 3.358 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.532 7.132 5.681 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.628 7.978 6.123 1.00 0.00 C ATOM 1061 C GLY A 69 -15.704 8.091 5.041 1.00 0.00 C ATOM 1062 O GLY A 69 -16.603 8.925 5.138 1.00 0.00 O ATOM 0 H GLY A 69 -13.623 6.149 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.065 7.568 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.250 8.970 6.370 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.577 7.238 4.034 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.528 7.231 2.935 1.00 0.00 C ATOM 1068 C LEU A 70 -17.017 5.801 2.699 1.00 0.00 C ATOM 1069 O LEU A 70 -16.561 4.868 3.359 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.917 7.885 1.694 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.475 7.490 1.369 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.399 6.040 0.887 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.854 8.462 0.363 1.00 0.00 C ATOM 0 H LEU A 70 -14.830 6.547 3.956 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.403 7.831 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.542 7.642 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.957 8.967 1.821 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.888 7.556 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.363 5.785 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.775 5.377 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.004 5.923 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.829 8.159 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.435 8.452 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.855 9.468 0.781 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.939 5.673 1.756 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.495 4.372 1.424 1.00 0.00 C ATOM 1087 C ARG A 71 -17.603 3.658 0.407 1.00 0.00 C ATOM 1088 O ARG A 71 -17.675 3.934 -0.789 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.906 4.507 0.850 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.955 4.494 1.963 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.180 5.323 1.573 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.835 5.861 2.786 1.00 0.00 N ATOM 1093 CZ ARG A 71 -24.144 6.184 2.860 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.950 6.027 1.788 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.624 6.656 3.995 1.00 0.00 N ATOM 0 H ARG A 71 -18.315 6.449 1.211 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.544 3.787 2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.984 5.434 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.099 3.690 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.257 3.468 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.521 4.890 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.882 6.141 0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.883 4.706 1.013 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.262 5.996 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.571 5.662 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.938 6.273 1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.008 6.772 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.611 6.905 4.067 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.783 2.752 0.920 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.879 1.996 0.071 1.00 0.00 C ATOM 1110 C LEU A 72 -16.656 0.877 -0.626 1.00 0.00 C ATOM 1111 O LEU A 72 -17.734 0.492 -0.176 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.677 1.499 0.876 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.600 2.541 1.185 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.617 2.020 2.236 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.888 2.989 -0.093 1.00 0.00 C ATOM 0 H LEU A 72 -16.726 2.525 1.913 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.468 2.635 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.040 1.090 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.214 0.677 0.330 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.087 3.420 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.862 2.780 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.155 1.791 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.132 1.117 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.128 3.730 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.416 2.129 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.613 3.428 -0.778 1.00 0.00 H new ATOM 1127 N PRO A 73 -16.063 0.375 -1.743 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.689 -0.692 -2.506 1.00 0.00 C ATOM 1129 C PRO A 73 -16.551 -2.035 -1.786 1.00 0.00 C ATOM 1130 O PRO A 73 -15.555 -2.280 -1.107 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.993 -0.668 -3.857 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.696 0.095 -3.645 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.787 0.807 -2.305 1.00 0.00 C ATOM 0 HA PRO A 73 -17.764 -0.552 -2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.797 -1.679 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.615 -0.180 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.846 -0.587 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.540 0.814 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.955 0.535 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.755 1.889 -2.429 1.00 0.00 H new ATOM 1141 N SER A 74 -17.565 -2.870 -1.960 1.00 0.00 N ATOM 1142 CA SER A 74 -17.569 -4.182 -1.336 1.00 0.00 C ATOM 1143 C SER A 74 -16.617 -5.119 -2.081 1.00 0.00 C ATOM 1144 O SER A 74 -16.159 -6.116 -1.523 1.00 0.00 O ATOM 1145 CB SER A 74 -18.980 -4.773 -1.306 1.00 0.00 C ATOM 1146 OG SER A 74 -19.419 -5.173 -2.601 1.00 0.00 O ATOM 0 H SER A 74 -18.389 -2.663 -2.524 1.00 0.00 H new ATOM 0 HA SER A 74 -17.228 -4.072 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.999 -5.632 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.673 -4.036 -0.900 1.00 0.00 H new ATOM 0 HG SER A 74 -20.323 -5.546 -2.539 1.00 0.00 H new ATOM 1152 N THR A 75 -16.347 -4.767 -3.329 1.00 0.00 N ATOM 1153 CA THR A 75 -15.457 -5.564 -4.156 1.00 0.00 C ATOM 1154 C THR A 75 -14.014 -5.075 -4.013 1.00 0.00 C ATOM 1155 O THR A 75 -13.102 -5.635 -4.619 1.00 0.00 O ATOM 1156 CB THR A 75 -15.976 -5.513 -5.594 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.899 -4.134 -5.942 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.468 -5.839 -5.690 1.00 0.00 C ATOM 0 H THR A 75 -16.729 -3.940 -3.788 1.00 0.00 H new ATOM 0 HA THR A 75 -15.447 -6.606 -3.835 1.00 0.00 H new ATOM 0 HB THR A 75 -15.411 -6.214 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.215 -4.010 -6.861 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.785 -5.789 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.647 -6.843 -5.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.036 -5.118 -5.102 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.853 -4.035 -3.208 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.537 -3.464 -2.977 1.00 0.00 C ATOM 1168 C LEU A 76 -11.571 -4.573 -2.555 1.00 0.00 C ATOM 1169 O LEU A 76 -10.419 -4.594 -2.984 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.622 -2.309 -1.977 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.450 -2.683 -0.504 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -13.536 -3.663 -0.057 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.044 -3.225 -0.236 1.00 0.00 C ATOM 0 H LEU A 76 -14.612 -3.573 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.143 -3.031 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.860 -1.574 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.589 -1.821 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.566 -1.779 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.391 -3.913 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.516 -3.205 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.476 -4.571 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.949 -3.483 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.875 -4.114 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.306 -2.465 -0.492 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.077 -5.468 -1.719 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.274 -6.577 -1.234 1.00 0.00 C ATOM 1187 C VAL A 77 -10.996 -7.543 -2.388 1.00 0.00 C ATOM 1188 O VAL A 77 -10.061 -8.339 -2.324 1.00 0.00 O ATOM 1189 CB VAL A 77 -11.970 -7.248 -0.048 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.810 -8.768 -0.107 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.448 -6.693 1.279 1.00 0.00 C ATOM 0 H VAL A 77 -13.033 -5.447 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.311 -6.220 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.034 -7.021 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.314 -9.220 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.251 -9.145 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.751 -9.024 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.959 -7.186 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.376 -6.876 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.637 -5.620 1.324 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.825 -7.440 -3.416 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.681 -8.294 -4.583 1.00 0.00 C ATOM 1203 C PHE A 78 -10.800 -7.630 -5.643 1.00 0.00 C ATOM 1204 O PHE A 78 -9.846 -8.234 -6.131 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.082 -8.504 -5.160 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.669 -9.889 -4.879 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.137 -10.189 -3.637 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -13.724 -10.818 -5.870 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.682 -11.474 -3.376 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.269 -12.103 -5.609 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.737 -12.404 -4.367 1.00 0.00 C ATOM 0 H PHE A 78 -12.599 -6.778 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.213 -9.236 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.750 -7.747 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.047 -8.347 -6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.094 -9.450 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.353 -10.579 -6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.053 -11.713 -2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.312 -12.841 -6.396 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.152 -13.381 -4.168 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.151 -6.394 -5.969 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.405 -5.641 -6.962 1.00 0.00 C ATOM 1223 C ASP A 79 -8.951 -5.505 -6.506 1.00 0.00 C ATOM 1224 O ASP A 79 -8.043 -5.418 -7.332 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.980 -4.234 -7.134 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.497 -3.485 -8.377 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.269 -2.767 -9.030 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.254 -3.664 -8.674 1.00 0.00 O ATOM 0 H ASP A 79 -11.943 -5.896 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.471 -6.175 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.067 -4.304 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.728 -3.645 -6.252 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.775 -5.491 -5.193 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.447 -5.367 -4.617 1.00 0.00 C ATOM 1236 C HIS A 80 -6.891 -6.758 -4.303 1.00 0.00 C ATOM 1237 O HIS A 80 -7.410 -7.455 -3.433 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.468 -4.447 -3.394 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.362 -5.176 -2.076 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.326 -5.081 -1.087 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.398 -6.012 -1.595 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -7.949 -5.830 -0.062 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -6.753 -6.406 -0.378 1.00 0.00 N ATOM 0 H HIS A 80 -9.530 -5.564 -4.511 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.777 -4.900 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.645 -3.737 -3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.391 -3.867 -3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.498 -6.304 -2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.493 -5.962 0.862 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.220 -7.035 0.222 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.816 -7.129 -5.049 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.185 -8.423 -4.859 1.00 0.00 C ATOM 1253 C PRO A 81 -4.347 -8.443 -3.578 1.00 0.00 C ATOM 1254 O PRO A 81 -4.241 -9.475 -2.917 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.356 -8.645 -6.114 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.184 -7.274 -6.747 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.175 -6.328 -6.088 1.00 0.00 C ATOM 0 HA PRO A 81 -5.908 -9.228 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.390 -9.087 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.857 -9.331 -6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.164 -6.915 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.361 -7.325 -7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.671 -5.459 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.904 -5.955 -6.807 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.774 -7.289 -3.267 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.950 -7.161 -2.077 1.00 0.00 C ATOM 1267 C ASN A 82 -3.230 -5.812 -1.411 1.00 0.00 C ATOM 1268 O ASN A 82 -3.788 -4.911 -2.035 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.462 -7.213 -2.430 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.261 -7.373 -3.939 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.827 -6.655 -4.746 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.426 -8.353 -4.272 1.00 0.00 N ATOM 0 H ASN A 82 -3.864 -6.435 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.192 -7.987 -1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.972 -6.301 -2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.989 -8.044 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.226 -8.541 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.014 -8.917 -3.545 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.831 -5.717 -0.151 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.032 -4.493 0.607 1.00 0.00 C ATOM 1281 C ALA A 83 -2.471 -3.310 -0.185 1.00 0.00 C ATOM 1282 O ALA A 83 -3.163 -2.314 -0.392 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.382 -4.633 1.985 1.00 0.00 C ATOM 0 H ALA A 83 -2.370 -6.467 0.364 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.095 -4.310 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.533 -3.715 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.836 -5.469 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.314 -4.815 1.867 1.00 0.00 H new ATOM 1289 N SER A 84 -1.224 -3.458 -0.605 1.00 0.00 N ATOM 1290 CA SER A 84 -0.562 -2.414 -1.369 1.00 0.00 C ATOM 1291 C SER A 84 -1.558 -1.756 -2.326 1.00 0.00 C ATOM 1292 O SER A 84 -1.447 -0.566 -2.620 1.00 0.00 O ATOM 1293 CB SER A 84 0.632 -2.972 -2.146 1.00 0.00 C ATOM 1294 OG SER A 84 1.747 -2.085 -2.122 1.00 0.00 O ATOM 0 H SER A 84 -0.654 -4.286 -0.431 1.00 0.00 H new ATOM 0 HA SER A 84 -0.188 -1.665 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.924 -3.933 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.338 -3.156 -3.179 1.00 0.00 H new ATOM 0 HG SER A 84 2.489 -2.478 -2.627 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.507 -2.558 -2.786 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.521 -2.068 -3.704 1.00 0.00 C ATOM 1302 C ALA A 85 -4.646 -1.403 -2.907 1.00 0.00 C ATOM 1303 O ALA A 85 -5.020 -0.265 -3.185 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.025 -3.222 -4.572 1.00 0.00 C ATOM 0 H ALA A 85 -2.595 -3.544 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.102 -1.316 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.786 -2.854 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.194 -3.640 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.455 -3.995 -3.935 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.153 -2.143 -1.932 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.228 -1.640 -1.093 1.00 0.00 C ATOM 1312 C VAL A 86 -5.886 -0.222 -0.630 1.00 0.00 C ATOM 1313 O VAL A 86 -6.750 0.654 -0.612 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.480 -2.604 0.069 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -5.746 -2.145 1.330 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.978 -2.763 0.333 1.00 0.00 C ATOM 0 H VAL A 86 -4.840 -3.087 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.159 -1.583 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.084 -3.580 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.942 -2.847 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.675 -2.107 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.098 -1.154 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.130 -3.453 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.408 -1.793 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.465 -3.156 -0.559 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.625 -0.040 -0.266 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.159 1.256 0.195 1.00 0.00 C ATOM 1328 C ALA A 87 -4.513 2.321 -0.845 1.00 0.00 C ATOM 1329 O ALA A 87 -4.969 3.409 -0.495 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.656 1.189 0.473 1.00 0.00 C ATOM 0 H ALA A 87 -3.912 -0.769 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.651 1.531 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.306 2.162 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.461 0.439 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.129 0.918 -0.442 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.291 1.970 -2.103 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.580 2.882 -3.197 1.00 0.00 C ATOM 1338 C GLY A 88 -6.084 3.142 -3.310 1.00 0.00 C ATOM 1339 O GLY A 88 -6.529 4.284 -3.208 1.00 0.00 O ATOM 0 H GLY A 88 -3.914 1.066 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.055 3.824 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.208 2.463 -4.132 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.824 2.063 -3.520 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.268 2.160 -3.649 1.00 0.00 C ATOM 1345 C PHE A 89 -8.853 3.083 -2.578 1.00 0.00 C ATOM 1346 O PHE A 89 -9.835 3.782 -2.825 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.830 0.751 -3.453 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.636 0.230 -4.645 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -9.008 -0.439 -5.649 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.979 0.437 -4.701 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.756 -0.922 -6.756 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.726 -0.046 -5.807 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.099 -0.715 -6.811 1.00 0.00 C ATOM 0 H PHE A 89 -6.451 1.118 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.528 2.570 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.005 0.066 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.465 0.744 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.941 -0.603 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.477 0.969 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.258 -1.453 -7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.793 0.118 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.668 -1.082 -7.653 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.226 3.056 -1.412 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.672 3.882 -0.303 1.00 0.00 C ATOM 1365 C LEU A 90 -8.115 5.298 -0.470 1.00 0.00 C ATOM 1366 O LEU A 90 -8.850 6.276 -0.344 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.304 3.231 1.032 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.349 2.284 1.627 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.171 0.864 1.087 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.318 2.324 3.156 1.00 0.00 C ATOM 0 H LEU A 90 -7.412 2.475 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.759 3.964 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.374 2.677 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.104 4.021 1.756 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.336 2.626 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.926 0.211 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.282 0.870 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.178 0.497 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.070 1.642 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.332 2.021 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.530 3.337 3.498 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.822 5.361 -0.752 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.159 6.640 -0.938 1.00 0.00 C ATOM 1384 C ASP A 91 -6.889 7.436 -2.022 1.00 0.00 C ATOM 1385 O ASP A 91 -7.201 8.610 -1.832 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.709 6.449 -1.388 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.734 7.522 -0.900 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.076 8.200 -1.704 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.662 7.652 0.381 1.00 0.00 O ATOM 0 H ASP A 91 -6.216 4.547 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.174 7.169 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.361 5.477 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.683 6.424 -2.477 1.00 0.00 H new ATOM 1395 N ALA A 92 -7.140 6.764 -3.136 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.827 7.393 -4.251 1.00 0.00 C ATOM 1397 C ALA A 92 -9.170 7.947 -3.770 1.00 0.00 C ATOM 1398 O ALA A 92 -9.589 9.022 -4.193 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.988 6.382 -5.388 1.00 0.00 C ATOM 0 H ALA A 92 -6.880 5.790 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.244 8.229 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.503 6.854 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.005 6.041 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.570 5.530 -5.037 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.806 7.187 -2.891 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.093 7.588 -2.347 1.00 0.00 C ATOM 1407 C GLU A 93 -10.920 8.772 -1.394 1.00 0.00 C ATOM 1408 O GLU A 93 -11.843 9.562 -1.206 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.782 6.415 -1.646 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.307 5.401 -2.664 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.738 5.740 -3.088 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.444 6.460 -2.367 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.109 5.228 -4.212 1.00 0.00 O ATOM 0 H GLU A 93 -9.454 6.296 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.733 7.901 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.080 5.927 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.607 6.784 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.658 5.390 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.279 4.400 -2.233 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.731 8.857 -0.816 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.425 9.931 0.114 1.00 0.00 C ATOM 1423 C LEU A 94 -8.928 11.149 -0.667 1.00 0.00 C ATOM 1424 O LEU A 94 -9.040 12.280 -0.197 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.448 9.448 1.187 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.035 8.540 2.270 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.077 7.395 2.604 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.421 9.346 3.512 1.00 0.00 C ATOM 0 H LEU A 94 -8.967 8.199 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.323 10.239 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.634 8.915 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.010 10.321 1.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.949 8.092 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.518 6.765 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.896 6.799 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.133 7.804 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.835 8.677 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.537 9.842 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.166 10.095 3.243 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.390 10.877 -1.847 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.876 11.937 -2.697 1.00 0.00 C ATOM 1442 C GLY A 95 -6.383 12.163 -2.450 1.00 0.00 C ATOM 1443 O GLY A 95 -5.914 13.300 -2.459 1.00 0.00 O ATOM 0 H GLY A 95 -8.299 9.938 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.040 11.681 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.424 12.860 -2.505 1.00 0.00 H new TER 1447 GLY A 95