USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 0.693 K(o=1.4,f=-1.6!) USER MOD Set 1.2: A 81 THR OG1 : rot 124:sc= 0.686 USER MOD Set 2.1: A 68 SER OG : rot -69:sc= 1.47 USER MOD Set 2.2: A 71 SER OG : rot 37:sc= 0.997 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.35 (180deg=-1.71!) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0 (180deg=-0.0291) USER MOD Single : A 3 HIS : no HE2:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 5 SER OG : rot 120:sc= 1.2 USER MOD Single : A 9 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.386 USER MOD Single : A 65 HIS : no HE2:sc= -1.85 K(o=-1.9,f=-2.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.179 13.756 0.395 1.00 0.00 N ATOM 2 CA MET A 1 -1.115 12.440 1.091 1.00 0.00 C ATOM 3 C MET A 1 -2.206 12.358 2.156 1.00 0.00 C ATOM 4 O MET A 1 -2.017 12.752 3.289 1.00 0.00 O ATOM 5 CB MET A 1 0.255 12.271 1.748 1.00 0.00 C ATOM 6 CG MET A 1 1.285 11.913 0.677 1.00 0.00 C ATOM 7 SD MET A 1 2.898 11.651 1.455 1.00 0.00 S ATOM 8 CE MET A 1 3.092 13.314 2.140 1.00 0.00 C ATOM 0 H1 MET A 1 -0.859 13.645 -0.588 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.158 14.106 0.403 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.564 14.437 0.884 1.00 0.00 H new ATOM 0 HA MET A 1 -1.268 11.645 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.545 13.191 2.255 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.214 11.489 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.975 11.013 0.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.351 12.712 -0.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.152 13.539 2.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.638 14.040 1.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.603 13.366 3.113 1.00 0.00 H new ATOM 20 N GLN A 2 -3.344 11.833 1.799 1.00 0.00 N ATOM 21 CA GLN A 2 -4.450 11.704 2.786 1.00 0.00 C ATOM 22 C GLN A 2 -4.551 10.240 3.210 1.00 0.00 C ATOM 23 O GLN A 2 -4.393 9.345 2.404 1.00 0.00 O ATOM 24 CB GLN A 2 -5.767 12.142 2.139 1.00 0.00 C ATOM 25 CG GLN A 2 -5.670 13.613 1.730 1.00 0.00 C ATOM 26 CD GLN A 2 -6.971 14.041 1.049 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.764 13.210 0.650 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.227 15.311 0.896 1.00 0.00 N ATOM 0 H GLN A 2 -3.556 11.487 0.863 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.254 12.333 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.979 11.524 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.592 12.001 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.485 14.234 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.828 13.758 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.563 16.009 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.092 15.606 0.442 1.00 0.00 H new ATOM 37 N HIS A 3 -4.800 9.978 4.463 1.00 0.00 N ATOM 38 CA HIS A 3 -4.893 8.559 4.904 1.00 0.00 C ATOM 39 C HIS A 3 -3.668 7.805 4.377 1.00 0.00 C ATOM 40 O HIS A 3 -3.603 6.594 4.420 1.00 0.00 O ATOM 41 CB HIS A 3 -6.170 7.942 4.329 1.00 0.00 C ATOM 42 CG HIS A 3 -6.304 6.512 4.778 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.027 5.444 3.935 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.704 5.956 5.968 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.263 4.311 4.623 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.678 4.570 5.865 1.00 0.00 N ATOM 0 H HIS A 3 -4.942 10.676 5.193 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.923 8.497 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.038 8.516 4.654 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.147 7.988 3.240 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.703 5.506 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.994 6.510 6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.133 3.317 4.221 1.00 0.00 H new ATOM 55 N ALA A 4 -2.699 8.526 3.874 1.00 0.00 N ATOM 56 CA ALA A 4 -1.473 7.875 3.330 1.00 0.00 C ATOM 57 C ALA A 4 -0.742 7.113 4.440 1.00 0.00 C ATOM 58 O ALA A 4 -0.169 6.067 4.210 1.00 0.00 O ATOM 59 CB ALA A 4 -0.543 8.948 2.761 1.00 0.00 C ATOM 0 H ALA A 4 -2.706 9.544 3.817 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.760 7.175 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.355 8.477 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.055 9.487 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.266 9.646 3.551 1.00 0.00 H new ATOM 65 N SER A 5 -0.747 7.629 5.639 1.00 0.00 N ATOM 66 CA SER A 5 -0.039 6.928 6.748 1.00 0.00 C ATOM 67 C SER A 5 -0.621 5.525 6.921 1.00 0.00 C ATOM 68 O SER A 5 0.096 4.563 7.109 1.00 0.00 O ATOM 69 CB SER A 5 -0.218 7.717 8.045 1.00 0.00 C ATOM 70 OG SER A 5 0.249 9.045 7.855 1.00 0.00 O ATOM 0 H SER A 5 -1.208 8.501 5.898 1.00 0.00 H new ATOM 0 HA SER A 5 1.022 6.853 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.268 7.727 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.333 7.238 8.855 1.00 0.00 H new ATOM 0 HG SER A 5 -0.487 9.675 8.004 1.00 0.00 H new ATOM 76 N VAL A 6 -1.914 5.403 6.851 1.00 0.00 N ATOM 77 CA VAL A 6 -2.546 4.064 7.001 1.00 0.00 C ATOM 78 C VAL A 6 -2.169 3.193 5.804 1.00 0.00 C ATOM 79 O VAL A 6 -1.975 2.005 5.930 1.00 0.00 O ATOM 80 CB VAL A 6 -4.062 4.221 7.062 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.725 2.845 6.967 1.00 0.00 C ATOM 82 CG2 VAL A 6 -4.451 4.884 8.386 1.00 0.00 C ATOM 0 H VAL A 6 -2.563 6.174 6.696 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.195 3.594 7.920 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.396 4.841 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.808 2.959 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.448 2.372 6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.392 2.223 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.534 4.997 8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.116 4.263 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.980 5.865 8.454 1.00 0.00 H new ATOM 92 N ILE A 7 -2.075 3.775 4.642 1.00 0.00 N ATOM 93 CA ILE A 7 -1.715 2.978 3.436 1.00 0.00 C ATOM 94 C ILE A 7 -0.343 2.327 3.634 1.00 0.00 C ATOM 95 O ILE A 7 -0.176 1.141 3.426 1.00 0.00 O ATOM 96 CB ILE A 7 -1.685 3.901 2.219 1.00 0.00 C ATOM 97 CG1 ILE A 7 -3.091 4.461 1.983 1.00 0.00 C ATOM 98 CG2 ILE A 7 -1.233 3.113 0.988 1.00 0.00 C ATOM 99 CD1 ILE A 7 -3.053 5.530 0.890 1.00 0.00 C ATOM 0 H ILE A 7 -2.232 4.769 4.475 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.455 2.193 3.280 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.987 4.720 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.767 3.657 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.481 4.888 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.212 3.773 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.235 2.709 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.929 2.294 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.057 5.922 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.392 6.340 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.683 5.090 -0.036 1.00 0.00 H new ATOM 111 N ALA A 8 0.638 3.084 4.041 1.00 0.00 N ATOM 112 CA ALA A 8 1.990 2.491 4.258 1.00 0.00 C ATOM 113 C ALA A 8 1.904 1.460 5.379 1.00 0.00 C ATOM 114 O ALA A 8 2.418 0.364 5.276 1.00 0.00 O ATOM 115 CB ALA A 8 2.975 3.592 4.655 1.00 0.00 C ATOM 0 H ALA A 8 0.564 4.083 4.232 1.00 0.00 H new ATOM 0 HA ALA A 8 2.334 2.014 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.962 3.157 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.029 4.336 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.637 4.068 5.575 1.00 0.00 H new ATOM 121 N GLN A 9 1.242 1.803 6.445 1.00 0.00 N ATOM 122 CA GLN A 9 1.099 0.852 7.580 1.00 0.00 C ATOM 123 C GLN A 9 0.270 -0.350 7.123 1.00 0.00 C ATOM 124 O GLN A 9 0.580 -1.485 7.418 1.00 0.00 O ATOM 125 CB GLN A 9 0.379 1.560 8.731 1.00 0.00 C ATOM 126 CG GLN A 9 0.272 0.623 9.934 1.00 0.00 C ATOM 127 CD GLN A 9 -1.156 0.662 10.478 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.386 1.106 11.585 1.00 0.00 O ATOM 129 NE2 GLN A 9 -2.132 0.213 9.737 1.00 0.00 N ATOM 0 H GLN A 9 0.790 2.707 6.580 1.00 0.00 H new ATOM 0 HA GLN A 9 2.080 0.513 7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.922 2.463 9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.616 1.871 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.535 -0.394 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.977 0.925 10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.937 -0.159 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.090 0.235 10.087 1.00 0.00 H new ATOM 138 N PHE A 10 -0.785 -0.094 6.408 1.00 0.00 N ATOM 139 CA PHE A 10 -1.662 -1.195 5.920 1.00 0.00 C ATOM 140 C PHE A 10 -0.902 -2.058 4.915 1.00 0.00 C ATOM 141 O PHE A 10 -0.874 -3.269 5.012 1.00 0.00 O ATOM 142 CB PHE A 10 -2.888 -0.578 5.242 1.00 0.00 C ATOM 143 CG PHE A 10 -3.865 -1.661 4.855 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.835 -2.200 3.564 1.00 0.00 C ATOM 145 CD2 PHE A 10 -4.805 -2.120 5.784 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.748 -3.198 3.201 1.00 0.00 C ATOM 147 CE2 PHE A 10 -5.716 -3.118 5.422 1.00 0.00 C ATOM 148 CZ PHE A 10 -5.688 -3.657 4.131 1.00 0.00 C ATOM 0 H PHE A 10 -1.083 0.843 6.136 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.971 -1.820 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.368 0.132 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.582 -0.020 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.108 -1.847 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.827 -1.704 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.727 -3.613 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.441 -3.473 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.392 -4.427 3.852 1.00 0.00 H new ATOM 158 N VAL A 11 -0.290 -1.441 3.947 1.00 0.00 N ATOM 159 CA VAL A 11 0.467 -2.215 2.924 1.00 0.00 C ATOM 160 C VAL A 11 1.685 -2.874 3.575 1.00 0.00 C ATOM 161 O VAL A 11 1.975 -4.032 3.347 1.00 0.00 O ATOM 162 CB VAL A 11 0.936 -1.266 1.822 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.749 -2.046 0.788 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.282 -0.634 1.147 1.00 0.00 C ATOM 0 H VAL A 11 -0.280 -0.429 3.818 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.178 -2.985 2.500 1.00 0.00 H new ATOM 0 HB VAL A 11 1.559 -0.483 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.083 -1.369 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.616 -2.497 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.128 -2.829 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.049 0.044 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.905 -1.417 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.860 -0.078 1.885 1.00 0.00 H new ATOM 174 N VAL A 12 2.399 -2.141 4.380 1.00 0.00 N ATOM 175 CA VAL A 12 3.600 -2.711 5.049 1.00 0.00 C ATOM 176 C VAL A 12 3.175 -3.838 5.994 1.00 0.00 C ATOM 177 O VAL A 12 3.870 -4.821 6.153 1.00 0.00 O ATOM 178 CB VAL A 12 4.311 -1.605 5.830 1.00 0.00 C ATOM 179 CG1 VAL A 12 5.522 -2.184 6.564 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.781 -0.519 4.860 1.00 0.00 C ATOM 0 H VAL A 12 2.201 -1.166 4.605 1.00 0.00 H new ATOM 0 HA VAL A 12 4.282 -3.118 4.302 1.00 0.00 H new ATOM 0 HB VAL A 12 3.619 -1.177 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.024 -1.391 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.192 -2.958 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.214 -2.615 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.288 0.270 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.470 -0.952 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.921 -0.100 4.338 1.00 0.00 H new ATOM 190 N GLU A 13 2.041 -3.701 6.625 1.00 0.00 N ATOM 191 CA GLU A 13 1.572 -4.759 7.564 1.00 0.00 C ATOM 192 C GLU A 13 1.499 -6.100 6.836 1.00 0.00 C ATOM 193 O GLU A 13 1.691 -7.148 7.421 1.00 0.00 O ATOM 194 CB GLU A 13 0.184 -4.398 8.091 1.00 0.00 C ATOM 195 CG GLU A 13 -0.257 -5.433 9.125 1.00 0.00 C ATOM 196 CD GLU A 13 -1.687 -5.128 9.576 1.00 0.00 C ATOM 197 OE1 GLU A 13 -2.186 -5.850 10.423 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.257 -4.176 9.069 1.00 0.00 O ATOM 0 H GLU A 13 1.417 -2.899 6.530 1.00 0.00 H new ATOM 0 HA GLU A 13 2.272 -4.834 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.201 -3.405 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.531 -4.363 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.205 -6.434 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.417 -5.417 9.982 1.00 0.00 H new ATOM 205 N GLU A 14 1.219 -6.077 5.565 1.00 0.00 N ATOM 206 CA GLU A 14 1.127 -7.351 4.801 1.00 0.00 C ATOM 207 C GLU A 14 2.501 -8.026 4.753 1.00 0.00 C ATOM 208 O GLU A 14 2.605 -9.236 4.725 1.00 0.00 O ATOM 209 CB GLU A 14 0.652 -7.054 3.379 1.00 0.00 C ATOM 210 CG GLU A 14 0.420 -8.368 2.637 1.00 0.00 C ATOM 211 CD GLU A 14 0.043 -8.075 1.185 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.217 -9.019 0.458 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.019 -6.910 0.824 1.00 0.00 O ATOM 0 H GLU A 14 1.050 -5.231 5.021 1.00 0.00 H new ATOM 0 HA GLU A 14 0.418 -8.018 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.269 -6.471 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.394 -6.453 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.320 -8.982 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.373 -8.936 3.122 1.00 0.00 H new ATOM 220 N PHE A 15 3.555 -7.256 4.741 1.00 0.00 N ATOM 221 CA PHE A 15 4.917 -7.863 4.693 1.00 0.00 C ATOM 222 C PHE A 15 5.872 -7.054 5.575 1.00 0.00 C ATOM 223 O PHE A 15 6.977 -6.740 5.182 1.00 0.00 O ATOM 224 CB PHE A 15 5.422 -7.862 3.247 1.00 0.00 C ATOM 225 CG PHE A 15 5.675 -6.441 2.793 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.602 -5.632 2.401 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.980 -5.936 2.759 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.834 -4.319 1.976 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.212 -4.623 2.335 1.00 0.00 C ATOM 230 CZ PHE A 15 6.139 -3.814 1.944 1.00 0.00 C ATOM 0 H PHE A 15 3.533 -6.236 4.762 1.00 0.00 H new ATOM 0 HA PHE A 15 4.873 -8.888 5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.339 -8.446 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.688 -8.336 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.595 -6.021 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.808 -6.560 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.006 -3.695 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.219 -4.234 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.318 -2.800 1.618 1.00 0.00 H new ATOM 240 N LEU A 16 5.460 -6.710 6.765 1.00 0.00 N ATOM 241 CA LEU A 16 6.353 -5.918 7.657 1.00 0.00 C ATOM 242 C LEU A 16 7.372 -6.841 8.338 1.00 0.00 C ATOM 243 O LEU A 16 7.026 -7.895 8.832 1.00 0.00 O ATOM 244 CB LEU A 16 5.513 -5.179 8.718 1.00 0.00 C ATOM 245 CG LEU A 16 5.425 -5.960 10.043 1.00 0.00 C ATOM 246 CD1 LEU A 16 4.580 -5.159 11.034 1.00 0.00 C ATOM 247 CD2 LEU A 16 4.762 -7.325 9.822 1.00 0.00 C ATOM 0 H LEU A 16 4.547 -6.942 7.157 1.00 0.00 H new ATOM 0 HA LEU A 16 6.892 -5.184 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.950 -4.198 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.508 -5.011 8.330 1.00 0.00 H new ATOM 0 HG LEU A 16 6.433 -6.113 10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.511 -5.703 11.976 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.046 -4.189 11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.580 -5.013 10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.709 -7.861 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.755 -7.181 9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.350 -7.904 9.110 1.00 0.00 H new ATOM 259 N PRO A 17 8.621 -6.441 8.395 1.00 0.00 N ATOM 260 CA PRO A 17 9.680 -7.241 9.066 1.00 0.00 C ATOM 261 C PRO A 17 9.582 -7.081 10.587 1.00 0.00 C ATOM 262 O PRO A 17 8.515 -6.852 11.121 1.00 0.00 O ATOM 263 CB PRO A 17 10.975 -6.627 8.528 1.00 0.00 C ATOM 264 CG PRO A 17 10.633 -5.203 8.258 1.00 0.00 C ATOM 265 CD PRO A 17 9.169 -5.190 7.831 1.00 0.00 C ATOM 0 HA PRO A 17 9.608 -8.311 8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.784 -6.709 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.307 -7.133 7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.784 -4.591 9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.270 -4.791 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.648 -4.315 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.070 -5.164 6.746 1.00 0.00 H new ATOM 273 N ASP A 18 10.672 -7.177 11.290 1.00 0.00 N ATOM 274 CA ASP A 18 10.613 -7.005 12.762 1.00 0.00 C ATOM 275 C ASP A 18 10.567 -5.508 13.080 1.00 0.00 C ATOM 276 O ASP A 18 10.740 -5.094 14.209 1.00 0.00 O ATOM 277 CB ASP A 18 11.856 -7.634 13.395 1.00 0.00 C ATOM 278 CG ASP A 18 13.111 -6.901 12.916 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.194 -7.411 13.148 1.00 0.00 O ATOM 280 OD2 ASP A 18 12.970 -5.843 12.325 1.00 0.00 O ATOM 0 H ASP A 18 11.599 -7.367 10.909 1.00 0.00 H new ATOM 0 HA ASP A 18 9.724 -7.492 13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.787 -7.583 14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.916 -8.689 13.128 1.00 0.00 H new ATOM 285 N VAL A 19 10.341 -4.695 12.079 1.00 0.00 N ATOM 286 CA VAL A 19 10.289 -3.220 12.299 1.00 0.00 C ATOM 287 C VAL A 19 8.870 -2.707 12.047 1.00 0.00 C ATOM 288 O VAL A 19 8.227 -3.081 11.087 1.00 0.00 O ATOM 289 CB VAL A 19 11.242 -2.532 11.322 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.327 -1.042 11.658 1.00 0.00 C ATOM 291 CG2 VAL A 19 12.632 -3.162 11.434 1.00 0.00 C ATOM 0 H VAL A 19 10.190 -4.992 11.115 1.00 0.00 H new ATOM 0 HA VAL A 19 10.580 -3.001 13.326 1.00 0.00 H new ATOM 0 HB VAL A 19 10.870 -2.654 10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.006 -0.550 10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.337 -0.594 11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.698 -0.919 12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.311 -2.671 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.005 -3.041 12.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.571 -4.223 11.194 1.00 0.00 H new ATOM 301 N ALA A 20 8.381 -1.842 12.892 1.00 0.00 N ATOM 302 CA ALA A 20 7.011 -1.299 12.685 1.00 0.00 C ATOM 303 C ALA A 20 7.036 -0.327 11.492 1.00 0.00 C ATOM 304 O ALA A 20 7.975 0.427 11.340 1.00 0.00 O ATOM 305 CB ALA A 20 6.568 -0.545 13.943 1.00 0.00 C ATOM 0 H ALA A 20 8.870 -1.489 13.715 1.00 0.00 H new ATOM 0 HA ALA A 20 6.315 -2.114 12.486 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.565 -0.146 13.794 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.565 -1.227 14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.259 0.275 14.138 1.00 0.00 H new ATOM 311 N PRO A 21 6.020 -0.324 10.655 1.00 0.00 N ATOM 312 CA PRO A 21 5.971 0.599 9.482 1.00 0.00 C ATOM 313 C PRO A 21 6.302 2.038 9.885 1.00 0.00 C ATOM 314 O PRO A 21 6.845 2.804 9.112 1.00 0.00 O ATOM 315 CB PRO A 21 4.522 0.507 9.004 1.00 0.00 C ATOM 316 CG PRO A 21 4.025 -0.819 9.473 1.00 0.00 C ATOM 317 CD PRO A 21 4.826 -1.187 10.722 1.00 0.00 C ATOM 0 HA PRO A 21 6.698 0.327 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.922 1.318 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.462 0.586 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.960 -0.772 9.699 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.153 -1.574 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.253 -1.004 11.631 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.097 -2.243 10.724 1.00 0.00 H new ATOM 325 N ALA A 22 5.984 2.403 11.093 1.00 0.00 N ATOM 326 CA ALA A 22 6.281 3.783 11.566 1.00 0.00 C ATOM 327 C ALA A 22 7.792 3.947 11.748 1.00 0.00 C ATOM 328 O ALA A 22 8.310 5.046 11.774 1.00 0.00 O ATOM 329 CB ALA A 22 5.582 4.015 12.907 1.00 0.00 C ATOM 0 H ALA A 22 5.528 1.801 11.779 1.00 0.00 H new ATOM 0 HA ALA A 22 5.923 4.506 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.796 5.024 13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.506 3.895 12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.946 3.292 13.637 1.00 0.00 H new ATOM 335 N ASP A 23 8.501 2.859 11.885 1.00 0.00 N ATOM 336 CA ASP A 23 9.976 2.943 12.076 1.00 0.00 C ATOM 337 C ASP A 23 10.687 2.576 10.774 1.00 0.00 C ATOM 338 O ASP A 23 11.892 2.430 10.734 1.00 0.00 O ATOM 339 CB ASP A 23 10.402 1.976 13.182 1.00 0.00 C ATOM 340 CG ASP A 23 9.833 2.447 14.521 1.00 0.00 C ATOM 341 OD1 ASP A 23 9.361 3.570 14.579 1.00 0.00 O ATOM 342 OD2 ASP A 23 9.878 1.676 15.465 1.00 0.00 O ATOM 0 H ASP A 23 8.120 1.913 11.873 1.00 0.00 H new ATOM 0 HA ASP A 23 10.246 3.961 12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.046 0.971 12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.489 1.924 13.235 1.00 0.00 H new ATOM 347 N VAL A 24 9.952 2.431 9.709 1.00 0.00 N ATOM 348 CA VAL A 24 10.589 2.079 8.411 1.00 0.00 C ATOM 349 C VAL A 24 10.709 3.339 7.559 1.00 0.00 C ATOM 350 O VAL A 24 9.792 4.131 7.473 1.00 0.00 O ATOM 351 CB VAL A 24 9.729 1.048 7.676 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.391 0.689 6.344 1.00 0.00 C ATOM 353 CG2 VAL A 24 9.603 -0.213 8.533 1.00 0.00 C ATOM 0 H VAL A 24 8.938 2.541 9.681 1.00 0.00 H new ATOM 0 HA VAL A 24 11.578 1.657 8.592 1.00 0.00 H new ATOM 0 HB VAL A 24 8.739 1.466 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.779 -0.045 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.486 1.586 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.380 0.270 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.991 -0.948 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.594 -0.630 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.135 0.039 9.484 1.00 0.00 H new ATOM 363 N ASP A 25 11.834 3.539 6.932 1.00 0.00 N ATOM 364 CA ASP A 25 12.003 4.755 6.095 1.00 0.00 C ATOM 365 C ASP A 25 11.082 4.657 4.880 1.00 0.00 C ATOM 366 O ASP A 25 11.456 4.144 3.845 1.00 0.00 O ATOM 367 CB ASP A 25 13.458 4.856 5.628 1.00 0.00 C ATOM 368 CG ASP A 25 14.366 5.104 6.834 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.842 5.421 7.890 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.568 4.973 6.681 1.00 0.00 O ATOM 0 H ASP A 25 12.640 2.915 6.964 1.00 0.00 H new ATOM 0 HA ASP A 25 11.750 5.641 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.753 3.937 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.564 5.667 4.907 1.00 0.00 H new ATOM 375 N VAL A 26 9.878 5.145 5.000 1.00 0.00 N ATOM 376 CA VAL A 26 8.932 5.076 3.850 1.00 0.00 C ATOM 377 C VAL A 26 9.511 5.842 2.656 1.00 0.00 C ATOM 378 O VAL A 26 8.867 5.999 1.639 1.00 0.00 O ATOM 379 CB VAL A 26 7.596 5.698 4.254 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.075 5.011 5.518 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.790 7.191 4.530 1.00 0.00 C ATOM 0 H VAL A 26 9.509 5.587 5.842 1.00 0.00 H new ATOM 0 HA VAL A 26 8.781 4.034 3.569 1.00 0.00 H new ATOM 0 HB VAL A 26 6.876 5.568 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.122 5.454 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.936 3.948 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.795 5.141 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.837 7.635 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.510 7.321 5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.162 7.682 3.631 1.00 0.00 H new ATOM 391 N ASP A 27 10.726 6.307 2.766 1.00 0.00 N ATOM 392 CA ASP A 27 11.347 7.044 1.630 1.00 0.00 C ATOM 393 C ASP A 27 12.059 6.039 0.723 1.00 0.00 C ATOM 394 O ASP A 27 12.713 6.400 -0.236 1.00 0.00 O ATOM 395 CB ASP A 27 12.360 8.058 2.167 1.00 0.00 C ATOM 396 CG ASP A 27 12.890 8.911 1.013 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.376 8.773 -0.085 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.801 9.688 1.248 1.00 0.00 O ATOM 0 H ASP A 27 11.315 6.208 3.593 1.00 0.00 H new ATOM 0 HA ASP A 27 10.578 7.573 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.891 8.694 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.184 7.540 2.658 1.00 0.00 H new ATOM 403 N LEU A 28 11.932 4.776 1.027 1.00 0.00 N ATOM 404 CA LEU A 28 12.593 3.729 0.200 1.00 0.00 C ATOM 405 C LEU A 28 11.599 3.191 -0.824 1.00 0.00 C ATOM 406 O LEU A 28 10.469 2.881 -0.502 1.00 0.00 O ATOM 407 CB LEU A 28 13.044 2.580 1.106 1.00 0.00 C ATOM 408 CG LEU A 28 13.841 1.552 0.295 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.327 1.908 0.337 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.629 0.159 0.894 1.00 0.00 C ATOM 0 H LEU A 28 11.395 4.423 1.819 1.00 0.00 H new ATOM 0 HA LEU A 28 13.454 4.159 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.657 2.967 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.176 2.102 1.560 1.00 0.00 H new ATOM 0 HG LEU A 28 13.498 1.559 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.893 1.176 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.476 2.900 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.674 1.902 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.195 -0.574 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.972 0.152 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.569 -0.094 0.861 1.00 0.00 H new ATOM 422 N ASP A 29 12.011 3.056 -2.053 1.00 0.00 N ATOM 423 CA ASP A 29 11.082 2.516 -3.075 1.00 0.00 C ATOM 424 C ASP A 29 10.779 1.063 -2.718 1.00 0.00 C ATOM 425 O ASP A 29 11.670 0.243 -2.608 1.00 0.00 O ATOM 426 CB ASP A 29 11.736 2.584 -4.456 1.00 0.00 C ATOM 427 CG ASP A 29 11.913 4.047 -4.867 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.622 4.290 -5.828 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.333 4.898 -4.213 1.00 0.00 O ATOM 0 H ASP A 29 12.944 3.295 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 29 10.162 3.100 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.703 2.081 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.120 2.062 -5.188 1.00 0.00 H new ATOM 434 N LEU A 30 9.535 0.736 -2.517 1.00 0.00 N ATOM 435 CA LEU A 30 9.192 -0.662 -2.147 1.00 0.00 C ATOM 436 C LEU A 30 9.275 -1.562 -3.381 1.00 0.00 C ATOM 437 O LEU A 30 8.880 -2.711 -3.349 1.00 0.00 O ATOM 438 CB LEU A 30 7.778 -0.708 -1.563 1.00 0.00 C ATOM 439 CG LEU A 30 6.760 -0.350 -2.648 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.934 -1.588 -3.004 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.832 0.747 -2.128 1.00 0.00 C ATOM 0 H LEU A 30 8.743 1.375 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 30 9.900 -1.019 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.569 -1.703 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.696 -0.011 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 30 7.284 0.003 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.209 -1.332 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.595 -2.373 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.409 -1.942 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.105 1.004 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.309 0.391 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.419 1.630 -1.873 1.00 0.00 H new ATOM 453 N VAL A 31 9.790 -1.055 -4.470 1.00 0.00 N ATOM 454 CA VAL A 31 9.896 -1.896 -5.695 1.00 0.00 C ATOM 455 C VAL A 31 10.646 -3.181 -5.351 1.00 0.00 C ATOM 456 O VAL A 31 10.308 -4.251 -5.815 1.00 0.00 O ATOM 457 CB VAL A 31 10.654 -1.131 -6.781 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.148 -1.118 -6.450 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.438 -1.818 -8.131 1.00 0.00 C ATOM 0 H VAL A 31 10.139 -0.101 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 31 8.899 -2.139 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 31 10.284 -0.107 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.688 -0.573 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.303 -0.630 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.519 -2.142 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.977 -1.274 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.808 -2.842 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.374 -1.828 -8.368 1.00 0.00 H new ATOM 469 N ASP A 32 11.646 -3.089 -4.521 1.00 0.00 N ATOM 470 CA ASP A 32 12.393 -4.314 -4.130 1.00 0.00 C ATOM 471 C ASP A 32 11.392 -5.298 -3.531 1.00 0.00 C ATOM 472 O ASP A 32 11.484 -6.496 -3.714 1.00 0.00 O ATOM 473 CB ASP A 32 13.458 -3.962 -3.088 1.00 0.00 C ATOM 474 CG ASP A 32 14.533 -3.085 -3.734 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.335 -2.530 -3.002 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.535 -2.985 -4.950 1.00 0.00 O ATOM 0 H ASP A 32 11.977 -2.222 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 32 12.888 -4.752 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.002 -3.437 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.907 -4.872 -2.689 1.00 0.00 H new ATOM 481 N ASN A 33 10.421 -4.782 -2.831 1.00 0.00 N ATOM 482 CA ASN A 33 9.379 -5.649 -2.223 1.00 0.00 C ATOM 483 C ASN A 33 8.314 -5.938 -3.276 1.00 0.00 C ATOM 484 O ASN A 33 7.224 -6.381 -2.970 1.00 0.00 O ATOM 485 CB ASN A 33 8.744 -4.930 -1.039 1.00 0.00 C ATOM 486 CG ASN A 33 9.829 -4.560 -0.031 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.658 -5.376 0.321 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.862 -3.350 0.444 1.00 0.00 N ATOM 0 H ASN A 33 10.305 -3.784 -2.653 1.00 0.00 H new ATOM 0 HA ASN A 33 9.824 -6.581 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.226 -4.033 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.997 -5.570 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.585 -3.084 1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.165 -2.667 0.147 1.00 0.00 H new ATOM 495 N GLY A 34 8.626 -5.673 -4.518 1.00 0.00 N ATOM 496 CA GLY A 34 7.647 -5.917 -5.614 1.00 0.00 C ATOM 497 C GLY A 34 6.951 -7.257 -5.385 1.00 0.00 C ATOM 498 O GLY A 34 5.934 -7.548 -5.978 1.00 0.00 O ATOM 0 H GLY A 34 9.524 -5.295 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.911 -5.113 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.157 -5.920 -6.578 1.00 0.00 H new ATOM 502 N VAL A 35 7.482 -8.072 -4.523 1.00 0.00 N ATOM 503 CA VAL A 35 6.831 -9.384 -4.258 1.00 0.00 C ATOM 504 C VAL A 35 5.356 -9.136 -3.938 1.00 0.00 C ATOM 505 O VAL A 35 4.486 -9.890 -4.328 1.00 0.00 O ATOM 506 CB VAL A 35 7.507 -10.058 -3.062 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.668 -11.252 -2.604 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.900 -10.543 -3.473 1.00 0.00 C ATOM 0 H VAL A 35 8.334 -7.890 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 35 6.922 -10.031 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 35 7.595 -9.342 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.151 -11.731 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.675 -10.909 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.579 -11.969 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.384 -11.024 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.810 -11.258 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.500 -9.693 -3.799 1.00 0.00 H new ATOM 518 N ILE A 36 5.074 -8.079 -3.229 1.00 0.00 N ATOM 519 CA ILE A 36 3.665 -7.760 -2.871 1.00 0.00 C ATOM 520 C ILE A 36 2.896 -7.305 -4.113 1.00 0.00 C ATOM 521 O ILE A 36 1.690 -7.386 -4.172 1.00 0.00 O ATOM 522 CB ILE A 36 3.659 -6.615 -1.862 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.346 -6.623 -1.088 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.791 -5.287 -2.608 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.275 -5.384 -0.193 1.00 0.00 C ATOM 0 H ILE A 36 5.766 -7.417 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 36 3.195 -8.650 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 36 4.492 -6.737 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.504 -6.634 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.273 -7.527 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.787 -4.465 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.726 -5.276 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.954 -5.172 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.336 -5.389 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.110 -5.393 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.328 -4.486 -0.809 1.00 0.00 H new ATOM 537 N ASP A 37 3.586 -6.793 -5.089 1.00 0.00 N ATOM 538 CA ASP A 37 2.897 -6.292 -6.316 1.00 0.00 C ATOM 539 C ASP A 37 2.118 -7.413 -7.011 1.00 0.00 C ATOM 540 O ASP A 37 1.100 -7.167 -7.627 1.00 0.00 O ATOM 541 CB ASP A 37 3.927 -5.718 -7.291 1.00 0.00 C ATOM 542 CG ASP A 37 4.597 -4.494 -6.665 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.087 -4.009 -5.669 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.609 -4.062 -7.193 1.00 0.00 O ATOM 0 H ASP A 37 4.602 -6.698 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 37 2.195 -5.515 -6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.676 -6.473 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.442 -5.441 -8.227 1.00 0.00 H new ATOM 549 N SER A 38 2.591 -8.628 -6.955 1.00 0.00 N ATOM 550 CA SER A 38 1.869 -9.731 -7.653 1.00 0.00 C ATOM 551 C SER A 38 1.123 -10.628 -6.663 1.00 0.00 C ATOM 552 O SER A 38 -0.088 -10.723 -6.691 1.00 0.00 O ATOM 553 CB SER A 38 2.877 -10.575 -8.434 1.00 0.00 C ATOM 554 OG SER A 38 4.115 -9.866 -8.528 1.00 0.00 O ATOM 0 H SER A 38 3.439 -8.904 -6.460 1.00 0.00 H new ATOM 0 HA SER A 38 1.137 -9.286 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.030 -11.532 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.492 -10.792 -9.431 1.00 0.00 H new ATOM 559 N LEU A 39 1.833 -11.317 -5.814 1.00 0.00 N ATOM 560 CA LEU A 39 1.155 -12.238 -4.858 1.00 0.00 C ATOM 561 C LEU A 39 0.423 -11.454 -3.768 1.00 0.00 C ATOM 562 O LEU A 39 -0.746 -11.670 -3.517 1.00 0.00 O ATOM 563 CB LEU A 39 2.194 -13.152 -4.207 1.00 0.00 C ATOM 564 CG LEU A 39 2.801 -14.085 -5.258 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.161 -13.541 -5.702 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.983 -15.479 -4.655 1.00 0.00 C ATOM 0 H LEU A 39 2.850 -11.283 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 39 0.426 -12.831 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.978 -12.553 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.729 -13.738 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 39 2.135 -14.143 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.592 -14.206 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.033 -12.547 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.828 -13.482 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.415 -16.145 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.649 -15.419 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.015 -15.868 -4.339 1.00 0.00 H new ATOM 578 N GLY A 40 1.096 -10.556 -3.115 1.00 0.00 N ATOM 579 CA GLY A 40 0.432 -9.772 -2.037 1.00 0.00 C ATOM 580 C GLY A 40 -0.647 -8.875 -2.639 1.00 0.00 C ATOM 581 O GLY A 40 -1.692 -8.662 -2.057 1.00 0.00 O ATOM 0 H GLY A 40 2.077 -10.328 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.010 -10.447 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.168 -9.166 -1.509 1.00 0.00 H new ATOM 585 N LEU A 41 -0.394 -8.341 -3.798 1.00 0.00 N ATOM 586 CA LEU A 41 -1.389 -7.446 -4.447 1.00 0.00 C ATOM 587 C LEU A 41 -2.695 -8.205 -4.667 1.00 0.00 C ATOM 588 O LEU A 41 -3.772 -7.681 -4.467 1.00 0.00 O ATOM 589 CB LEU A 41 -0.835 -6.988 -5.796 1.00 0.00 C ATOM 590 CG LEU A 41 -1.756 -5.935 -6.412 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.366 -4.555 -5.886 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.609 -5.959 -7.935 1.00 0.00 C ATOM 0 H LEU A 41 0.465 -8.487 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.579 -6.583 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.166 -6.576 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.744 -7.841 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.790 -6.151 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.020 -3.801 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.466 -4.538 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.333 -4.340 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.265 -5.209 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.576 -5.741 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.881 -6.945 -8.311 1.00 0.00 H new ATOM 604 N LEU A 42 -2.610 -9.435 -5.081 1.00 0.00 N ATOM 605 CA LEU A 42 -3.853 -10.221 -5.318 1.00 0.00 C ATOM 606 C LEU A 42 -4.574 -10.450 -3.987 1.00 0.00 C ATOM 607 O LEU A 42 -5.776 -10.305 -3.887 1.00 0.00 O ATOM 608 CB LEU A 42 -3.490 -11.572 -5.943 1.00 0.00 C ATOM 609 CG LEU A 42 -4.761 -12.315 -6.350 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.220 -11.819 -7.718 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.473 -13.816 -6.424 1.00 0.00 C ATOM 0 H LEU A 42 -1.738 -9.931 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.508 -9.672 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.853 -11.420 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.921 -12.170 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.543 -12.131 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.127 -12.348 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.424 -10.749 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.438 -12.005 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.380 -14.347 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.692 -14.001 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.141 -14.171 -5.448 1.00 0.00 H new ATOM 623 N LYS A 43 -3.847 -10.808 -2.964 1.00 0.00 N ATOM 624 CA LYS A 43 -4.485 -11.047 -1.641 1.00 0.00 C ATOM 625 C LYS A 43 -5.027 -9.735 -1.070 1.00 0.00 C ATOM 626 O LYS A 43 -6.076 -9.698 -0.458 1.00 0.00 O ATOM 627 CB LYS A 43 -3.447 -11.629 -0.685 1.00 0.00 C ATOM 628 CG LYS A 43 -3.006 -13.006 -1.184 1.00 0.00 C ATOM 629 CD LYS A 43 -2.055 -13.638 -0.166 1.00 0.00 C ATOM 630 CE LYS A 43 -1.533 -14.970 -0.710 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.122 -15.167 -0.272 1.00 0.00 N ATOM 0 H LYS A 43 -2.837 -10.945 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.313 -11.746 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.587 -10.963 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.867 -11.711 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.876 -13.647 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.511 -12.913 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.222 -12.964 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.572 -13.798 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.154 -15.790 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.592 -14.979 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.233 -16.072 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.466 -14.390 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.079 -15.177 0.767 1.00 0.00 H new ATOM 645 N VAL A 44 -4.311 -8.659 -1.250 1.00 0.00 N ATOM 646 CA VAL A 44 -4.772 -7.351 -0.703 1.00 0.00 C ATOM 647 C VAL A 44 -6.073 -6.916 -1.376 1.00 0.00 C ATOM 648 O VAL A 44 -6.996 -6.471 -0.729 1.00 0.00 O ATOM 649 CB VAL A 44 -3.701 -6.293 -0.956 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.226 -4.925 -0.524 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.449 -6.639 -0.149 1.00 0.00 C ATOM 0 H VAL A 44 -3.424 -8.629 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.947 -7.461 0.367 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.455 -6.267 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.462 -4.169 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.121 -4.681 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.471 -4.948 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.682 -5.886 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.695 -6.662 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.076 -7.616 -0.457 1.00 0.00 H new ATOM 661 N ILE A 45 -6.156 -7.031 -2.669 1.00 0.00 N ATOM 662 CA ILE A 45 -7.398 -6.612 -3.372 1.00 0.00 C ATOM 663 C ILE A 45 -8.590 -7.411 -2.838 1.00 0.00 C ATOM 664 O ILE A 45 -9.632 -6.864 -2.540 1.00 0.00 O ATOM 665 CB ILE A 45 -7.228 -6.863 -4.873 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.753 -5.578 -5.560 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.562 -7.298 -5.483 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.560 -4.991 -4.801 1.00 0.00 C ATOM 0 H ILE A 45 -5.418 -7.397 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.582 -5.552 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.489 -7.651 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.470 -5.790 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.566 -4.852 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.433 -7.475 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.900 -8.216 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.304 -6.514 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.228 -4.078 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.857 -4.762 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.745 -5.714 -4.789 1.00 0.00 H new ATOM 680 N ALA A 46 -8.447 -8.701 -2.726 1.00 0.00 N ATOM 681 CA ALA A 46 -9.574 -9.538 -2.224 1.00 0.00 C ATOM 682 C ALA A 46 -9.860 -9.227 -0.752 1.00 0.00 C ATOM 683 O ALA A 46 -10.999 -9.095 -0.345 1.00 0.00 O ATOM 684 CB ALA A 46 -9.189 -11.011 -2.358 1.00 0.00 C ATOM 0 H ALA A 46 -7.597 -9.214 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.468 -9.321 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.005 -11.635 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.995 -11.242 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.292 -11.208 -1.770 1.00 0.00 H new ATOM 690 N TRP A 47 -8.840 -9.119 0.052 1.00 0.00 N ATOM 691 CA TRP A 47 -9.053 -8.832 1.499 1.00 0.00 C ATOM 692 C TRP A 47 -9.439 -7.366 1.695 1.00 0.00 C ATOM 693 O TRP A 47 -10.310 -7.043 2.478 1.00 0.00 O ATOM 694 CB TRP A 47 -7.768 -9.141 2.259 1.00 0.00 C ATOM 695 CG TRP A 47 -7.708 -8.325 3.507 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.715 -8.160 4.394 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.586 -7.563 4.015 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.274 -7.339 5.418 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.963 -6.945 5.227 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.287 -7.355 3.536 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.073 -6.144 5.943 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.386 -6.550 4.250 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.778 -5.947 5.452 1.00 0.00 C ATOM 0 H TRP A 47 -7.865 -9.217 -0.231 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.863 -9.455 1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.727 -10.202 2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.903 -8.926 1.631 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.700 -8.596 4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.846 -7.059 6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.976 -7.817 2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.381 -5.680 6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.387 -6.395 3.871 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.081 -5.330 5.999 1.00 0.00 H new ATOM 714 N LEU A 48 -8.795 -6.476 0.996 1.00 0.00 N ATOM 715 CA LEU A 48 -9.120 -5.033 1.146 1.00 0.00 C ATOM 716 C LEU A 48 -10.595 -4.802 0.814 1.00 0.00 C ATOM 717 O LEU A 48 -11.275 -4.037 1.468 1.00 0.00 O ATOM 718 CB LEU A 48 -8.243 -4.223 0.186 1.00 0.00 C ATOM 719 CG LEU A 48 -8.440 -2.732 0.428 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.552 -2.293 1.588 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.051 -1.962 -0.833 1.00 0.00 C ATOM 0 H LEU A 48 -8.056 -6.687 0.326 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.932 -4.717 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.195 -4.487 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.497 -4.468 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.483 -2.530 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.688 -1.226 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.824 -2.849 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.508 -2.490 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.190 -0.894 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.006 -2.158 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.679 -2.283 -1.664 1.00 0.00 H new ATOM 733 N GLU A 49 -11.100 -5.459 -0.195 1.00 0.00 N ATOM 734 CA GLU A 49 -12.533 -5.274 -0.559 1.00 0.00 C ATOM 735 C GLU A 49 -13.416 -5.724 0.605 1.00 0.00 C ATOM 736 O GLU A 49 -14.390 -5.084 0.938 1.00 0.00 O ATOM 737 CB GLU A 49 -12.852 -6.111 -1.802 1.00 0.00 C ATOM 738 CG GLU A 49 -14.367 -6.286 -1.937 1.00 0.00 C ATOM 739 CD GLU A 49 -14.789 -7.625 -1.328 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.086 -8.600 -1.540 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.810 -7.653 -0.659 1.00 0.00 O ATOM 0 H GLU A 49 -10.583 -6.114 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.725 -4.222 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.453 -5.624 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.370 -7.086 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.883 -5.468 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.655 -6.247 -2.988 1.00 0.00 H new ATOM 748 N ASP A 50 -13.086 -6.822 1.222 1.00 0.00 N ATOM 749 CA ASP A 50 -13.916 -7.312 2.358 1.00 0.00 C ATOM 750 C ASP A 50 -13.852 -6.327 3.529 1.00 0.00 C ATOM 751 O ASP A 50 -14.845 -6.043 4.170 1.00 0.00 O ATOM 752 CB ASP A 50 -13.388 -8.670 2.813 1.00 0.00 C ATOM 753 CG ASP A 50 -14.353 -9.277 3.834 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.398 -8.689 4.055 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.030 -10.321 4.376 1.00 0.00 O ATOM 0 H ASP A 50 -12.279 -7.401 0.990 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.951 -7.402 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.281 -9.336 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.398 -8.558 3.255 1.00 0.00 H new ATOM 760 N ARG A 51 -12.687 -5.825 3.831 1.00 0.00 N ATOM 761 CA ARG A 51 -12.552 -4.882 4.979 1.00 0.00 C ATOM 762 C ARG A 51 -13.297 -3.566 4.717 1.00 0.00 C ATOM 763 O ARG A 51 -13.971 -3.053 5.588 1.00 0.00 O ATOM 764 CB ARG A 51 -11.071 -4.588 5.223 1.00 0.00 C ATOM 765 CG ARG A 51 -10.925 -3.734 6.484 1.00 0.00 C ATOM 766 CD ARG A 51 -9.443 -3.465 6.753 1.00 0.00 C ATOM 767 NE ARG A 51 -9.304 -2.706 8.029 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.221 -2.826 8.751 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.107 -2.159 9.867 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.254 -3.611 8.360 1.00 0.00 N ATOM 0 H ARG A 51 -11.820 -6.027 3.332 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.994 -5.352 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.517 -5.520 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.646 -4.066 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.460 -2.792 6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.373 -4.246 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.896 -4.406 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.009 -2.897 5.930 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.056 -2.091 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.862 -1.546 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.263 -2.251 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.342 -4.133 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.410 -3.702 8.926 1.00 0.00 H new ATOM 784 N PHE A 52 -13.169 -3.001 3.543 1.00 0.00 N ATOM 785 CA PHE A 52 -13.856 -1.708 3.265 1.00 0.00 C ATOM 786 C PHE A 52 -15.068 -1.920 2.356 1.00 0.00 C ATOM 787 O PHE A 52 -15.816 -1.000 2.089 1.00 0.00 O ATOM 788 CB PHE A 52 -12.871 -0.761 2.582 1.00 0.00 C ATOM 789 CG PHE A 52 -11.775 -0.388 3.550 1.00 0.00 C ATOM 790 CD1 PHE A 52 -10.553 -1.072 3.525 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.978 0.645 4.474 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.537 -0.725 4.423 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.962 0.992 5.372 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.742 0.308 5.347 1.00 0.00 C ATOM 0 H PHE A 52 -12.621 -3.379 2.770 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.202 -1.282 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.444 -1.238 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.389 0.135 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.395 -1.868 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.919 1.174 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.595 -1.253 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.120 1.788 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.958 0.576 6.040 1.00 0.00 H new ATOM 804 N GLY A 53 -15.277 -3.112 1.874 1.00 0.00 N ATOM 805 CA GLY A 53 -16.448 -3.348 0.983 1.00 0.00 C ATOM 806 C GLY A 53 -16.215 -2.640 -0.353 1.00 0.00 C ATOM 807 O GLY A 53 -17.139 -2.170 -0.988 1.00 0.00 O ATOM 0 H GLY A 53 -14.693 -3.928 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.588 -4.417 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.358 -2.974 1.452 1.00 0.00 H new ATOM 811 N ILE A 54 -14.985 -2.552 -0.782 1.00 0.00 N ATOM 812 CA ILE A 54 -14.689 -1.865 -2.073 1.00 0.00 C ATOM 813 C ILE A 54 -14.570 -2.903 -3.189 1.00 0.00 C ATOM 814 O ILE A 54 -14.091 -3.997 -2.984 1.00 0.00 O ATOM 815 CB ILE A 54 -13.374 -1.098 -1.946 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.487 -0.089 -0.801 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.086 -0.356 -3.252 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.105 0.484 -0.490 1.00 0.00 C ATOM 0 H ILE A 54 -14.171 -2.926 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.495 -1.171 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.563 -1.796 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.172 0.713 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.900 -0.572 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.148 0.191 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.010 -1.074 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.895 0.344 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.184 1.203 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.434 -0.323 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.710 0.982 -1.375 1.00 0.00 H new ATOM 830 N ALA A 55 -15.008 -2.569 -4.371 1.00 0.00 N ATOM 831 CA ALA A 55 -14.928 -3.543 -5.496 1.00 0.00 C ATOM 832 C ALA A 55 -13.466 -3.903 -5.760 1.00 0.00 C ATOM 833 O ALA A 55 -12.577 -3.086 -5.619 1.00 0.00 O ATOM 834 CB ALA A 55 -15.534 -2.919 -6.755 1.00 0.00 C ATOM 0 H ALA A 55 -15.417 -1.665 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.481 -4.445 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.476 -3.631 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.577 -2.664 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.981 -2.017 -7.016 1.00 0.00 H new ATOM 840 N ALA A 56 -13.212 -5.126 -6.136 1.00 0.00 N ATOM 841 CA ALA A 56 -11.811 -5.552 -6.402 1.00 0.00 C ATOM 842 C ALA A 56 -11.230 -4.734 -7.556 1.00 0.00 C ATOM 843 O ALA A 56 -10.037 -4.518 -7.632 1.00 0.00 O ATOM 844 CB ALA A 56 -11.792 -7.038 -6.770 1.00 0.00 C ATOM 0 H ALA A 56 -13.917 -5.850 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.210 -5.388 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.766 -7.351 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.199 -7.622 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.397 -7.200 -7.662 1.00 0.00 H new ATOM 850 N ASP A 57 -12.059 -4.284 -8.459 1.00 0.00 N ATOM 851 CA ASP A 57 -11.541 -3.486 -9.607 1.00 0.00 C ATOM 852 C ASP A 57 -10.449 -4.285 -10.318 1.00 0.00 C ATOM 853 O ASP A 57 -9.361 -3.797 -10.552 1.00 0.00 O ATOM 854 CB ASP A 57 -10.966 -2.162 -9.101 1.00 0.00 C ATOM 855 CG ASP A 57 -12.087 -1.317 -8.495 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.774 -0.356 -7.811 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.240 -1.643 -8.724 1.00 0.00 O ATOM 0 H ASP A 57 -13.068 -4.434 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.354 -3.276 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.194 -2.350 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.492 -1.622 -9.921 1.00 0.00 H new ATOM 862 N ASP A 58 -10.729 -5.515 -10.654 1.00 0.00 N ATOM 863 CA ASP A 58 -9.707 -6.357 -11.338 1.00 0.00 C ATOM 864 C ASP A 58 -8.966 -5.526 -12.386 1.00 0.00 C ATOM 865 O ASP A 58 -9.381 -5.422 -13.523 1.00 0.00 O ATOM 866 CB ASP A 58 -10.397 -7.537 -12.021 1.00 0.00 C ATOM 867 CG ASP A 58 -9.343 -8.457 -12.641 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.078 -8.310 -13.822 1.00 0.00 O ATOM 869 OD2 ASP A 58 -8.818 -9.292 -11.923 1.00 0.00 O ATOM 0 H ASP A 58 -11.624 -5.974 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.993 -6.725 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.997 -8.089 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.079 -7.177 -12.791 1.00 0.00 H new ATOM 874 N VAL A 59 -7.866 -4.937 -12.008 1.00 0.00 N ATOM 875 CA VAL A 59 -7.082 -4.114 -12.970 1.00 0.00 C ATOM 876 C VAL A 59 -5.602 -4.477 -12.843 1.00 0.00 C ATOM 877 O VAL A 59 -5.117 -4.764 -11.766 1.00 0.00 O ATOM 878 CB VAL A 59 -7.274 -2.631 -12.650 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.677 -2.323 -11.275 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.567 -1.786 -13.712 1.00 0.00 C ATOM 0 H VAL A 59 -7.474 -4.991 -11.068 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.424 -4.309 -13.986 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.338 -2.396 -12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.814 -1.266 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.178 -2.925 -10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.613 -2.558 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.703 -0.729 -13.485 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.503 -2.022 -13.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.991 -2.004 -14.692 1.00 0.00 H new ATOM 890 N GLU A 60 -4.877 -4.471 -13.927 1.00 0.00 N ATOM 891 CA GLU A 60 -3.431 -4.822 -13.846 1.00 0.00 C ATOM 892 C GLU A 60 -2.609 -3.562 -13.586 1.00 0.00 C ATOM 893 O GLU A 60 -2.795 -2.544 -14.222 1.00 0.00 O ATOM 894 CB GLU A 60 -2.980 -5.462 -15.159 1.00 0.00 C ATOM 895 CG GLU A 60 -1.528 -5.901 -15.029 1.00 0.00 C ATOM 896 CD GLU A 60 -1.051 -6.501 -16.353 1.00 0.00 C ATOM 897 OE1 GLU A 60 -1.832 -6.515 -17.290 1.00 0.00 O ATOM 898 OE2 GLU A 60 0.088 -6.937 -16.406 1.00 0.00 O ATOM 0 H GLU A 60 -5.220 -4.240 -14.859 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.280 -5.528 -13.029 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.612 -6.318 -15.396 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.086 -4.752 -15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.903 -5.050 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.430 -6.635 -14.229 1.00 0.00 H new ATOM 905 N LEU A 61 -1.701 -3.625 -12.650 1.00 0.00 N ATOM 906 CA LEU A 61 -0.862 -2.439 -12.334 1.00 0.00 C ATOM 907 C LEU A 61 0.577 -2.696 -12.784 1.00 0.00 C ATOM 908 O LEU A 61 1.096 -3.786 -12.644 1.00 0.00 O ATOM 909 CB LEU A 61 -0.893 -2.192 -10.824 1.00 0.00 C ATOM 910 CG LEU A 61 -2.342 -2.137 -10.345 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.382 -1.683 -8.886 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.133 -1.154 -11.210 1.00 0.00 C ATOM 0 H LEU A 61 -1.505 -4.454 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.250 -1.564 -12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.357 -2.986 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.385 -1.257 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.787 -3.129 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.417 -1.644 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.823 -2.388 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.934 -0.693 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.167 -1.117 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.689 -0.162 -11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.108 -1.482 -12.249 1.00 0.00 H new ATOM 924 N SER A 62 1.228 -1.701 -13.323 1.00 0.00 N ATOM 925 CA SER A 62 2.633 -1.889 -13.782 1.00 0.00 C ATOM 926 C SER A 62 3.588 -1.689 -12.600 1.00 0.00 C ATOM 927 O SER A 62 3.250 -1.055 -11.621 1.00 0.00 O ATOM 928 CB SER A 62 2.954 -0.869 -14.874 1.00 0.00 C ATOM 929 OG SER A 62 4.138 -0.164 -14.525 1.00 0.00 O ATOM 0 H SER A 62 0.847 -0.766 -13.465 1.00 0.00 H new ATOM 0 HA SER A 62 2.753 -2.897 -14.180 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.086 -1.373 -15.831 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.124 -0.173 -14.993 1.00 0.00 H new ATOM 0 HG SER A 62 4.347 0.490 -15.224 1.00 0.00 H new ATOM 935 N PRO A 63 4.774 -2.228 -12.698 1.00 0.00 N ATOM 936 CA PRO A 63 5.805 -2.112 -11.624 1.00 0.00 C ATOM 937 C PRO A 63 6.178 -0.653 -11.340 1.00 0.00 C ATOM 938 O PRO A 63 6.572 -0.303 -10.245 1.00 0.00 O ATOM 939 CB PRO A 63 7.016 -2.875 -12.176 1.00 0.00 C ATOM 940 CG PRO A 63 6.777 -3.022 -13.643 1.00 0.00 C ATOM 941 CD PRO A 63 5.265 -3.004 -13.842 1.00 0.00 C ATOM 0 HA PRO A 63 5.442 -2.511 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.941 -2.331 -11.984 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.114 -3.849 -11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.250 -2.211 -14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.206 -3.953 -14.014 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.991 -2.539 -14.789 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.850 -4.012 -13.850 1.00 0.00 H new ATOM 949 N GLU A 64 6.053 0.198 -12.321 1.00 0.00 N ATOM 950 CA GLU A 64 6.398 1.635 -12.117 1.00 0.00 C ATOM 951 C GLU A 64 5.456 2.249 -11.079 1.00 0.00 C ATOM 952 O GLU A 64 5.811 3.171 -10.372 1.00 0.00 O ATOM 953 CB GLU A 64 6.255 2.384 -13.441 1.00 0.00 C ATOM 954 CG GLU A 64 7.273 1.852 -14.443 1.00 0.00 C ATOM 955 CD GLU A 64 7.178 2.650 -15.744 1.00 0.00 C ATOM 956 OE1 GLU A 64 8.034 2.464 -16.593 1.00 0.00 O ATOM 957 OE2 GLU A 64 6.251 3.433 -15.870 1.00 0.00 O ATOM 0 H GLU A 64 5.726 -0.040 -13.258 1.00 0.00 H new ATOM 0 HA GLU A 64 7.426 1.713 -11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.245 2.260 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.408 3.452 -13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.279 1.929 -14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.088 0.796 -14.638 1.00 0.00 H new ATOM 964 N HIS A 65 4.255 1.748 -10.987 1.00 0.00 N ATOM 965 CA HIS A 65 3.285 2.304 -10.002 1.00 0.00 C ATOM 966 C HIS A 65 3.759 2.000 -8.579 1.00 0.00 C ATOM 967 O HIS A 65 3.438 2.706 -7.644 1.00 0.00 O ATOM 968 CB HIS A 65 1.913 1.667 -10.231 1.00 0.00 C ATOM 969 CG HIS A 65 0.935 2.208 -9.226 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.655 3.563 -9.119 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.158 1.588 -8.277 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.253 3.713 -8.136 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.587 2.540 -7.594 1.00 0.00 N ATOM 0 H HIS A 65 3.903 0.976 -11.553 1.00 0.00 H new ATOM 0 HA HIS A 65 3.215 3.384 -10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.566 1.879 -11.242 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.983 0.583 -10.139 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.063 4.309 -9.682 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.131 0.524 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.660 4.664 -7.825 1.00 0.00 H new ATOM 982 N PHE A 66 4.517 0.953 -8.405 1.00 0.00 N ATOM 983 CA PHE A 66 5.004 0.603 -7.042 1.00 0.00 C ATOM 984 C PHE A 66 6.386 1.221 -6.818 1.00 0.00 C ATOM 985 O PHE A 66 7.040 0.962 -5.828 1.00 0.00 O ATOM 986 CB PHE A 66 5.099 -0.917 -6.918 1.00 0.00 C ATOM 987 CG PHE A 66 3.741 -1.519 -7.174 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.878 -1.796 -6.106 1.00 0.00 C ATOM 989 CD2 PHE A 66 3.340 -1.793 -8.485 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.615 -2.349 -6.352 1.00 0.00 C ATOM 991 CE2 PHE A 66 2.080 -2.346 -8.732 1.00 0.00 C ATOM 992 CZ PHE A 66 1.217 -2.624 -7.667 1.00 0.00 C ATOM 0 H PHE A 66 4.820 0.324 -9.149 1.00 0.00 H new ATOM 0 HA PHE A 66 4.311 0.990 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.824 -1.308 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.451 -1.192 -5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.186 -1.583 -5.093 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.005 -1.577 -9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.949 -2.563 -5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.773 -2.559 -9.745 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.244 -3.051 -7.858 1.00 0.00 H new ATOM 1002 N ARG A 67 6.838 2.033 -7.736 1.00 0.00 N ATOM 1003 CA ARG A 67 8.179 2.662 -7.578 1.00 0.00 C ATOM 1004 C ARG A 67 8.245 3.398 -6.237 1.00 0.00 C ATOM 1005 O ARG A 67 9.254 3.378 -5.560 1.00 0.00 O ATOM 1006 CB ARG A 67 8.410 3.656 -8.723 1.00 0.00 C ATOM 1007 CG ARG A 67 9.831 4.228 -8.659 1.00 0.00 C ATOM 1008 CD ARG A 67 10.825 3.244 -9.288 1.00 0.00 C ATOM 1009 NE ARG A 67 12.196 3.823 -9.230 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.556 4.736 -10.091 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.757 5.242 -10.040 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.715 5.141 -11.002 1.00 0.00 N ATOM 0 H ARG A 67 6.336 2.287 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 67 8.950 1.891 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.254 3.159 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.683 4.466 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.871 5.182 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.107 4.422 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.797 2.292 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.547 3.040 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 67 12.854 3.506 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.414 4.924 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.039 5.955 -10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.776 4.744 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.996 5.854 -11.675 1.00 0.00 H new ATOM 1026 N SER A 68 7.183 4.048 -5.845 1.00 0.00 N ATOM 1027 CA SER A 68 7.201 4.779 -4.545 1.00 0.00 C ATOM 1028 C SER A 68 5.871 4.577 -3.815 1.00 0.00 C ATOM 1029 O SER A 68 4.837 4.386 -4.424 1.00 0.00 O ATOM 1030 CB SER A 68 7.415 6.270 -4.804 1.00 0.00 C ATOM 1031 OG SER A 68 6.276 6.799 -5.473 1.00 0.00 O ATOM 0 H SER A 68 6.308 4.105 -6.365 1.00 0.00 H new ATOM 0 HA SER A 68 8.012 4.392 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.575 6.795 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.309 6.421 -5.409 1.00 0.00 H new ATOM 0 HG SER A 68 6.233 6.436 -6.382 1.00 0.00 H new ATOM 1037 N ILE A 69 5.892 4.621 -2.510 1.00 0.00 N ATOM 1038 CA ILE A 69 4.641 4.439 -1.730 1.00 0.00 C ATOM 1039 C ILE A 69 3.662 5.572 -2.048 1.00 0.00 C ATOM 1040 O ILE A 69 2.464 5.374 -2.104 1.00 0.00 O ATOM 1041 CB ILE A 69 4.979 4.469 -0.242 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.971 3.358 0.084 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.714 4.251 0.568 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.463 3.514 1.524 1.00 0.00 C ATOM 0 H ILE A 69 6.730 4.777 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 69 4.183 3.485 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 69 5.417 5.436 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.498 2.385 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.815 3.396 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.954 4.272 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.997 5.040 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.281 3.284 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.172 2.719 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.953 4.481 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.615 3.454 2.207 1.00 0.00 H new ATOM 1056 N ARG A 70 4.161 6.762 -2.241 1.00 0.00 N ATOM 1057 CA ARG A 70 3.262 7.913 -2.536 1.00 0.00 C ATOM 1058 C ARG A 70 2.489 7.664 -3.834 1.00 0.00 C ATOM 1059 O ARG A 70 1.336 8.029 -3.955 1.00 0.00 O ATOM 1060 CB ARG A 70 4.098 9.186 -2.681 1.00 0.00 C ATOM 1061 CG ARG A 70 4.768 9.513 -1.345 1.00 0.00 C ATOM 1062 CD ARG A 70 5.492 10.857 -1.451 1.00 0.00 C ATOM 1063 NE ARG A 70 6.468 10.808 -2.575 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.863 11.913 -3.144 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.719 11.869 -4.129 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.405 13.061 -2.728 1.00 0.00 N ATOM 0 H ARG A 70 5.155 6.987 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 70 2.552 8.026 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.853 9.051 -3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.465 10.016 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.021 9.552 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.475 8.727 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.772 11.658 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.008 11.079 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 70 6.827 9.910 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.078 10.971 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.029 12.733 -4.575 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.738 13.095 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.714 13.925 -3.173 1.00 0.00 H new ATOM 1080 N SER A 71 3.106 7.054 -4.808 1.00 0.00 N ATOM 1081 CA SER A 71 2.390 6.800 -6.087 1.00 0.00 C ATOM 1082 C SER A 71 1.140 5.961 -5.811 1.00 0.00 C ATOM 1083 O SER A 71 0.072 6.235 -6.319 1.00 0.00 O ATOM 1084 CB SER A 71 3.315 6.043 -7.037 1.00 0.00 C ATOM 1085 OG SER A 71 4.536 6.758 -7.173 1.00 0.00 O ATOM 0 H SER A 71 4.070 6.722 -4.773 1.00 0.00 H new ATOM 0 HA SER A 71 2.097 7.747 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.508 5.041 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.839 5.926 -8.010 1.00 0.00 H new ATOM 0 HG SER A 71 4.774 7.165 -6.314 1.00 0.00 H new ATOM 1091 N ILE A 72 1.265 4.947 -5.000 1.00 0.00 N ATOM 1092 CA ILE A 72 0.093 4.097 -4.679 1.00 0.00 C ATOM 1093 C ILE A 72 -0.924 4.914 -3.882 1.00 0.00 C ATOM 1094 O ILE A 72 -2.119 4.786 -4.060 1.00 0.00 O ATOM 1095 CB ILE A 72 0.557 2.904 -3.848 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.585 2.097 -4.646 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.639 2.021 -3.519 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.148 0.978 -3.768 1.00 0.00 C ATOM 0 H ILE A 72 2.136 4.672 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.372 3.744 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 72 1.012 3.258 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.120 1.675 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.391 2.748 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.309 1.168 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.371 2.596 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.094 1.665 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.880 0.403 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.628 1.411 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.338 0.321 -3.451 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.453 5.749 -2.997 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.378 6.572 -2.176 1.00 0.00 C ATOM 1112 C ASP A 73 -2.261 7.426 -3.090 1.00 0.00 C ATOM 1113 O ASP A 73 -3.432 7.623 -2.830 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.558 7.485 -1.266 1.00 0.00 C ATOM 1115 CG ASP A 73 0.233 6.635 -0.269 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.008 5.436 -0.232 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.051 7.197 0.440 1.00 0.00 O ATOM 0 H ASP A 73 0.539 5.896 -2.808 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.011 5.919 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.123 8.094 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.216 8.171 -0.733 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.710 7.941 -4.155 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.519 8.787 -5.076 1.00 0.00 C ATOM 1124 C ALA A 74 -3.631 7.949 -5.711 1.00 0.00 C ATOM 1125 O ALA A 74 -4.754 8.391 -5.843 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.616 9.352 -6.174 1.00 0.00 C ATOM 0 H ALA A 74 -0.735 7.812 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.965 9.606 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.207 9.971 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.829 9.956 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.167 8.532 -6.734 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.328 6.745 -6.109 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.374 5.888 -6.735 1.00 0.00 C ATOM 1134 C PHE A 75 -5.498 5.626 -5.732 1.00 0.00 C ATOM 1135 O PHE A 75 -6.666 5.729 -6.050 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.760 4.559 -7.167 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.798 3.734 -7.890 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.012 3.923 -9.260 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.546 2.780 -7.189 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -5.974 3.158 -9.930 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.508 2.015 -7.859 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.723 2.204 -9.229 1.00 0.00 C ATOM 0 H PHE A 75 -2.405 6.318 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.780 6.401 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.904 4.737 -7.818 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.391 4.017 -6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.435 4.659 -9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.381 2.634 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.139 3.303 -10.987 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.084 1.279 -7.319 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.466 1.615 -9.746 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.154 5.282 -4.521 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.196 5.010 -3.499 1.00 0.00 C ATOM 1154 C VAL A 76 -7.008 6.280 -3.231 1.00 0.00 C ATOM 1155 O VAL A 76 -8.217 6.242 -3.124 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.517 4.555 -2.210 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.548 4.498 -1.089 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.911 3.164 -2.416 1.00 0.00 C ATOM 0 H VAL A 76 -4.192 5.178 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.868 4.231 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.728 5.259 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.066 4.173 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.981 5.487 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.335 3.793 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.426 2.839 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.699 2.459 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.176 3.203 -3.220 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.353 7.403 -3.119 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.081 8.670 -2.856 1.00 0.00 C ATOM 1170 C VAL A 77 -8.006 8.991 -4.032 1.00 0.00 C ATOM 1171 O VAL A 77 -9.121 9.439 -3.855 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.065 9.797 -2.687 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.795 11.133 -2.645 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.292 9.597 -1.381 1.00 0.00 C ATOM 0 H VAL A 77 -5.340 7.495 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.679 8.567 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.368 9.788 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.072 11.939 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.346 11.276 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.491 11.141 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.567 10.402 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.987 9.607 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.771 8.640 -1.410 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.546 8.773 -5.232 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.389 9.074 -6.423 1.00 0.00 C ATOM 1186 C GLY A 78 -9.700 8.287 -6.359 1.00 0.00 C ATOM 1187 O GLY A 78 -10.735 8.760 -6.783 1.00 0.00 O ATOM 0 H GLY A 78 -6.620 8.398 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.600 10.142 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.848 8.819 -7.334 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.669 7.087 -5.846 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.923 6.282 -5.778 1.00 0.00 C ATOM 1193 C ALA A 79 -11.535 6.374 -4.379 1.00 0.00 C ATOM 1194 O ALA A 79 -12.715 6.615 -4.224 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.605 4.820 -6.097 1.00 0.00 C ATOM 0 H ALA A 79 -8.836 6.631 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.636 6.673 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.520 4.230 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.181 4.750 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.887 4.437 -5.372 1.00 0.00 H new ATOM 1201 N THR A 80 -10.743 6.182 -3.362 1.00 0.00 N ATOM 1202 CA THR A 80 -11.277 6.255 -1.971 1.00 0.00 C ATOM 1203 C THR A 80 -10.366 7.143 -1.123 1.00 0.00 C ATOM 1204 O THR A 80 -9.158 7.023 -1.167 1.00 0.00 O ATOM 1205 CB THR A 80 -11.324 4.850 -1.372 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.065 3.995 -2.231 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.989 4.897 0.004 1.00 0.00 C ATOM 0 H THR A 80 -9.746 5.977 -3.433 1.00 0.00 H new ATOM 0 HA THR A 80 -12.282 6.677 -1.986 1.00 0.00 H new ATOM 0 HB THR A 80 -10.309 4.468 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.095 3.093 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.020 3.893 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.417 5.551 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.004 5.281 -0.096 1.00 0.00 H new ATOM 1215 N THR A 81 -10.933 8.029 -0.346 1.00 0.00 N ATOM 1216 CA THR A 81 -10.094 8.916 0.506 1.00 0.00 C ATOM 1217 C THR A 81 -10.591 8.859 1.956 1.00 0.00 C ATOM 1218 O THR A 81 -11.398 9.666 2.371 1.00 0.00 O ATOM 1219 CB THR A 81 -10.203 10.353 -0.010 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.810 11.254 1.015 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.648 10.642 -0.422 1.00 0.00 C ATOM 0 H THR A 81 -11.939 8.175 -0.266 1.00 0.00 H new ATOM 0 HA THR A 81 -9.056 8.585 0.467 1.00 0.00 H new ATOM 0 HB THR A 81 -9.550 10.479 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.085 11.826 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.724 11.666 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.947 9.951 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.304 10.516 0.439 1.00 0.00 H new ATOM 1229 N PRO A 82 -10.095 7.924 2.727 1.00 0.00 N ATOM 1230 CA PRO A 82 -10.476 7.774 4.161 1.00 0.00 C ATOM 1231 C PRO A 82 -9.898 8.901 5.026 1.00 0.00 C ATOM 1232 O PRO A 82 -9.228 9.785 4.531 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.874 6.425 4.584 1.00 0.00 C ATOM 1234 CG PRO A 82 -9.342 5.785 3.340 1.00 0.00 C ATOM 1235 CD PRO A 82 -9.130 6.898 2.318 1.00 0.00 C ATOM 0 HA PRO A 82 -11.557 7.819 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.079 6.568 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.629 5.793 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.405 5.266 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -10.042 5.041 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.108 7.276 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.318 6.552 1.302 1.00 0.00 H new ATOM 1243 N PRO A 83 -10.145 8.866 6.311 1.00 0.00 N ATOM 1244 CA PRO A 83 -9.628 9.900 7.256 1.00 0.00 C ATOM 1245 C PRO A 83 -8.098 9.980 7.221 1.00 0.00 C ATOM 1246 O PRO A 83 -7.425 9.008 6.939 1.00 0.00 O ATOM 1247 CB PRO A 83 -10.103 9.430 8.635 1.00 0.00 C ATOM 1248 CG PRO A 83 -11.210 8.461 8.378 1.00 0.00 C ATOM 1249 CD PRO A 83 -10.947 7.845 7.006 1.00 0.00 C ATOM 0 HA PRO A 83 -9.988 10.896 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.291 8.958 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.451 10.270 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.236 7.691 9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.177 8.964 8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.409 6.901 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.876 7.637 6.476 1.00 0.00 H new ATOM 1257 N VAL A 84 -7.544 11.129 7.493 1.00 0.00 N ATOM 1258 CA VAL A 84 -6.059 11.260 7.459 1.00 0.00 C ATOM 1259 C VAL A 84 -5.485 11.043 8.861 1.00 0.00 C ATOM 1260 O VAL A 84 -5.935 11.628 9.826 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.686 12.661 6.970 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -4.167 12.764 6.824 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.347 12.921 5.616 1.00 0.00 C ATOM 0 H VAL A 84 -8.052 11.980 7.736 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.647 10.511 6.783 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.032 13.401 7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.902 13.762 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.695 12.579 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.820 12.024 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.082 13.919 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.002 12.181 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.430 12.849 5.720 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.491 10.204 8.974 1.00 0.00 N ATOM 1274 CA GLU A 85 -3.877 9.941 10.304 1.00 0.00 C ATOM 1275 C GLU A 85 -2.352 9.968 10.173 1.00 0.00 C ATOM 1276 O GLU A 85 -1.811 9.830 9.094 1.00 0.00 O ATOM 1277 CB GLU A 85 -4.323 8.568 10.812 1.00 0.00 C ATOM 1278 CG GLU A 85 -5.845 8.547 10.960 1.00 0.00 C ATOM 1279 CD GLU A 85 -6.284 7.202 11.542 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -7.449 7.078 11.883 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -5.448 6.319 11.635 1.00 0.00 O ATOM 0 H GLU A 85 -4.077 9.688 8.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.196 10.708 11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.004 7.791 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.851 8.352 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.169 9.360 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.317 8.707 9.991 1.00 0.00 H new ATOM 1288 N ALA A 86 -1.655 10.141 11.263 1.00 0.00 N ATOM 1289 CA ALA A 86 -0.165 10.173 11.197 1.00 0.00 C ATOM 1290 C ALA A 86 0.395 8.835 11.687 1.00 0.00 C ATOM 1291 O ALA A 86 -0.143 8.220 12.586 1.00 0.00 O ATOM 1292 CB ALA A 86 0.361 11.302 12.085 1.00 0.00 C ATOM 0 H ALA A 86 -2.051 10.261 12.195 1.00 0.00 H new ATOM 0 HA ALA A 86 0.150 10.344 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.450 11.326 12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.038 12.255 11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.047 11.131 13.115 1.00 0.00 H new ATOM 1298 N LYS A 87 1.471 8.379 11.105 1.00 0.00 N ATOM 1299 CA LYS A 87 2.059 7.081 11.544 1.00 0.00 C ATOM 1300 C LYS A 87 2.401 7.154 13.034 1.00 0.00 C ATOM 1301 O LYS A 87 2.304 6.177 13.751 1.00 0.00 O ATOM 1302 CB LYS A 87 3.332 6.792 10.743 1.00 0.00 C ATOM 1303 CG LYS A 87 2.974 6.572 9.271 1.00 0.00 C ATOM 1304 CD LYS A 87 4.221 6.125 8.504 1.00 0.00 C ATOM 1305 CE LYS A 87 3.880 5.970 7.021 1.00 0.00 C ATOM 1306 NZ LYS A 87 3.992 7.293 6.344 1.00 0.00 N ATOM 0 H LYS A 87 1.967 8.847 10.347 1.00 0.00 H new ATOM 0 HA LYS A 87 1.337 6.283 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.030 7.624 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.832 5.909 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.191 5.818 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.579 7.492 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.020 6.856 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.588 5.180 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.555 5.253 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.870 5.576 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.760 7.188 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.330 7.965 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.964 7.651 6.440 1.00 0.00 H new ATOM 1320 N LEU A 88 2.799 8.303 13.506 1.00 0.00 N ATOM 1321 CA LEU A 88 3.145 8.435 14.949 1.00 0.00 C ATOM 1322 C LEU A 88 1.948 9.008 15.710 1.00 0.00 C ATOM 1323 O LEU A 88 1.371 10.003 15.320 1.00 0.00 O ATOM 1324 CB LEU A 88 4.344 9.375 15.102 1.00 0.00 C ATOM 1325 CG LEU A 88 4.782 9.416 16.569 1.00 0.00 C ATOM 1326 CD1 LEU A 88 5.394 8.071 16.969 1.00 0.00 C ATOM 1327 CD2 LEU A 88 5.822 10.522 16.756 1.00 0.00 C ATOM 0 H LEU A 88 2.900 9.156 12.955 1.00 0.00 H new ATOM 0 HA LEU A 88 3.397 7.455 15.353 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.168 9.034 14.475 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.079 10.377 14.763 1.00 0.00 H new ATOM 0 HG LEU A 88 3.914 9.615 17.197 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.703 8.108 18.014 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.654 7.281 16.837 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.261 7.865 16.341 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.136 10.554 17.799 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.686 10.320 16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.386 11.482 16.479 1.00 0.00 H new ATOM 1339 N GLN A 89 1.571 8.387 16.794 1.00 0.00 N ATOM 1340 CA GLN A 89 0.411 8.897 17.578 1.00 0.00 C ATOM 1341 C GLN A 89 -0.719 9.286 16.624 1.00 0.00 C ATOM 1342 O GLN A 89 -0.808 10.455 16.289 1.00 0.00 O ATOM 1343 CB GLN A 89 0.841 10.122 18.387 1.00 0.00 C ATOM 1344 CG GLN A 89 -0.312 10.572 19.286 1.00 0.00 C ATOM 1345 CD GLN A 89 0.130 11.777 20.119 1.00 0.00 C ATOM 1346 OE1 GLN A 89 1.289 12.141 20.115 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -0.751 12.416 20.838 1.00 0.00 N ATOM 1348 OXT GLN A 89 -1.477 8.408 16.245 1.00 0.00 O ATOM 0 H GLN A 89 2.016 7.550 17.170 1.00 0.00 H new ATOM 0 HA GLN A 89 0.061 8.119 18.256 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.715 9.882 18.992 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.130 10.931 17.716 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.179 10.834 18.680 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.616 9.756 19.941 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.724 12.111 20.842 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.467 13.221 21.396 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 2.939 -8.661 -13.281 1.00 0.00 O HETATM 1359 O4 PN7 A 101 4.886 -6.956 -14.255 1.00 0.00 O HETATM 1360 C2 PN7 A 101 3.133 -6.883 -11.671 1.00 0.00 C HETATM 1361 C1 PN7 A 101 4.183 -7.853 -11.122 1.00 0.00 C HETATM 1362 P PN7 A 101 4.636 -10.008 -10.045 1.00 0.00 P HETATM 1363 O1P PN7 A 101 5.960 -9.353 -10.145 1.00 0.00 O HETATM 1364 O2P PN7 A 101 4.480 -11.421 -10.459 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.573 -9.121 -10.867 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 3.686 -5.457 -11.625 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 1.864 -6.964 -10.819 1.00 0.00 C HETATM 1368 C3 PN7 A 101 2.801 -7.256 -13.116 1.00 0.00 C HETATM 1369 C4 PN7 A 101 3.760 -6.540 -14.066 1.00 0.00 C HETATM 1370 N5 PN7 A 101 3.302 -5.507 -14.718 1.00 0.00 N HETATM 1371 C6 PN7 A 101 3.149 -5.572 -16.199 1.00 0.00 C HETATM 1372 C7 PN7 A 101 4.441 -5.094 -16.866 1.00 0.00 C HETATM 1373 C8 PN7 A 101 5.091 -6.259 -17.614 1.00 0.00 C HETATM 1374 O8 PN7 A 101 5.277 -6.212 -18.814 1.00 0.00 O HETATM 1375 N9 PN7 A 101 5.498 -7.277 -16.906 1.00 0.00 N HETATM 1376 C10 PN7 A 101 6.902 -7.762 -17.037 1.00 0.00 C HETATM 1377 C11 PN7 A 101 7.242 -8.663 -15.849 1.00 0.00 C HETATM 1378 S12 PN7 A 101 6.991 -10.394 -16.314 1.00 0.00 S