USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 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 68 SER OG : rot 180:sc= 0.00819 USER MOD Set 1.2: A 71 SER OG : rot 112:sc= -0.0333 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -12.4! C(o=-12!,f=-14!) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.144 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.139) USER MOD Single : A 2 GLN : amide:sc= -0.0984 K(o=-0.098,f=-2.3!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 9 GLN :FLIP amide:sc= -4.1! C(o=-4.7!,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 65 HIS : no HE2:sc= -3.49 K(o=-3.5,f=-8.4!) USER MOD Single : A 80 THR OG1 : rot 140:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -6.33! (180deg=-6.69!) USER MOD Single : A 89 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.482 13.543 -0.818 1.00 0.00 N ATOM 2 CA MET A 1 0.633 12.390 0.113 1.00 0.00 C ATOM 3 C MET A 1 -0.529 12.365 1.102 1.00 0.00 C ATOM 4 O MET A 1 -0.354 12.560 2.289 1.00 0.00 O ATOM 5 CB MET A 1 1.951 12.518 0.876 1.00 0.00 C ATOM 6 CG MET A 1 3.108 12.212 -0.072 1.00 0.00 C ATOM 7 SD MET A 1 4.673 12.271 0.839 1.00 0.00 S ATOM 8 CE MET A 1 4.462 10.731 1.767 1.00 0.00 C ATOM 0 H1 MET A 1 1.140 13.433 -1.616 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.494 13.575 -1.176 1.00 0.00 H new ATOM 0 H3 MET A 1 0.694 14.427 -0.313 1.00 0.00 H new ATOM 0 HA MET A 1 0.633 11.464 -0.462 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.054 13.524 1.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.965 11.830 1.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.973 11.228 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.123 12.934 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.438 10.355 2.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.851 10.919 2.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.969 9.991 1.136 1.00 0.00 H new ATOM 20 N GLN A 2 -1.714 12.116 0.624 1.00 0.00 N ATOM 21 CA GLN A 2 -2.887 12.064 1.539 1.00 0.00 C ATOM 22 C GLN A 2 -2.980 10.658 2.133 1.00 0.00 C ATOM 23 O GLN A 2 -3.004 9.675 1.420 1.00 0.00 O ATOM 24 CB GLN A 2 -4.164 12.378 0.757 1.00 0.00 C ATOM 25 CG GLN A 2 -4.096 13.810 0.221 1.00 0.00 C ATOM 26 CD GLN A 2 -5.358 14.113 -0.588 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.074 13.213 -0.978 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.663 15.353 -0.858 1.00 0.00 N ATOM 0 H GLN A 2 -1.922 11.946 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.771 12.798 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.280 11.675 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.036 12.261 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.003 14.515 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.212 13.934 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.062 16.109 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.503 15.566 -1.396 1.00 0.00 H new ATOM 37 N HIS A 3 -3.019 10.550 3.432 1.00 0.00 N ATOM 38 CA HIS A 3 -3.092 9.201 4.060 1.00 0.00 C ATOM 39 C HIS A 3 -1.924 8.359 3.542 1.00 0.00 C ATOM 40 O HIS A 3 -1.946 7.145 3.600 1.00 0.00 O ATOM 41 CB HIS A 3 -4.411 8.525 3.677 1.00 0.00 C ATOM 42 CG HIS A 3 -5.415 9.566 3.263 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.102 10.342 4.184 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.862 9.965 2.027 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.919 11.161 3.493 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.809 10.969 2.178 1.00 0.00 N ATOM 0 H HIS A 3 -3.004 11.334 4.084 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.039 9.294 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.246 7.821 2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.795 7.951 4.521 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.528 9.560 1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.581 11.883 3.948 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.314 11.457 1.439 1.00 0.00 H new ATOM 55 N ALA A 4 -0.910 8.997 3.025 1.00 0.00 N ATOM 56 CA ALA A 4 0.259 8.243 2.486 1.00 0.00 C ATOM 57 C ALA A 4 0.927 7.436 3.602 1.00 0.00 C ATOM 58 O ALA A 4 1.353 6.316 3.397 1.00 0.00 O ATOM 59 CB ALA A 4 1.271 9.231 1.903 1.00 0.00 C ATOM 0 H ALA A 4 -0.840 10.012 2.952 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.085 7.560 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.127 8.684 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.802 9.801 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.605 9.913 2.685 1.00 0.00 H new ATOM 65 N SER A 5 1.032 7.992 4.777 1.00 0.00 N ATOM 66 CA SER A 5 1.685 7.249 5.892 1.00 0.00 C ATOM 67 C SER A 5 0.869 6.001 6.234 1.00 0.00 C ATOM 68 O SER A 5 1.411 4.973 6.587 1.00 0.00 O ATOM 69 CB SER A 5 1.777 8.152 7.123 1.00 0.00 C ATOM 70 OG SER A 5 0.469 8.392 7.628 1.00 0.00 O ATOM 0 H SER A 5 0.695 8.925 5.013 1.00 0.00 H new ATOM 0 HA SER A 5 2.687 6.949 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.394 7.681 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.257 9.095 6.862 1.00 0.00 H new ATOM 0 HG SER A 5 0.524 8.969 8.418 1.00 0.00 H new ATOM 76 N VAL A 6 -0.428 6.080 6.132 1.00 0.00 N ATOM 77 CA VAL A 6 -1.270 4.893 6.450 1.00 0.00 C ATOM 78 C VAL A 6 -1.014 3.796 5.417 1.00 0.00 C ATOM 79 O VAL A 6 -0.954 2.626 5.736 1.00 0.00 O ATOM 80 CB VAL A 6 -2.745 5.289 6.417 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.615 4.037 6.557 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.041 6.246 7.574 1.00 0.00 C ATOM 0 H VAL A 6 -0.941 6.913 5.843 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.016 4.524 7.444 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.967 5.781 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.667 4.321 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.405 3.354 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.393 3.544 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.093 6.529 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.818 5.753 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.423 7.138 7.475 1.00 0.00 H new ATOM 92 N ILE A 7 -0.870 4.172 4.178 1.00 0.00 N ATOM 93 CA ILE A 7 -0.626 3.164 3.110 1.00 0.00 C ATOM 94 C ILE A 7 0.661 2.391 3.398 1.00 0.00 C ATOM 95 O ILE A 7 0.719 1.187 3.246 1.00 0.00 O ATOM 96 CB ILE A 7 -0.498 3.881 1.767 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.802 4.623 1.470 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.229 2.857 0.663 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.628 5.488 0.221 1.00 0.00 C ATOM 0 H ILE A 7 -0.911 5.139 3.857 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.460 2.463 3.081 1.00 0.00 H new ATOM 0 HB ILE A 7 0.328 4.591 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.612 3.909 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.079 5.246 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.138 3.370 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.697 2.324 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.054 2.146 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.558 6.016 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.830 6.212 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.371 4.854 -0.628 1.00 0.00 H new ATOM 111 N ALA A 8 1.697 3.069 3.807 1.00 0.00 N ATOM 112 CA ALA A 8 2.975 2.360 4.094 1.00 0.00 C ATOM 113 C ALA A 8 2.766 1.380 5.246 1.00 0.00 C ATOM 114 O ALA A 8 3.122 0.222 5.162 1.00 0.00 O ATOM 115 CB ALA A 8 4.048 3.379 4.482 1.00 0.00 C ATOM 0 H ALA A 8 1.714 4.078 3.954 1.00 0.00 H new ATOM 0 HA ALA A 8 3.295 1.815 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.983 2.860 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.198 4.080 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.728 3.924 5.370 1.00 0.00 H new ATOM 121 N GLN A 9 2.183 1.832 6.317 1.00 0.00 N ATOM 122 CA GLN A 9 1.944 0.923 7.471 1.00 0.00 C ATOM 123 C GLN A 9 0.871 -0.104 7.098 1.00 0.00 C ATOM 124 O GLN A 9 0.902 -1.234 7.540 1.00 0.00 O ATOM 125 CB GLN A 9 1.523 1.748 8.699 1.00 0.00 C ATOM 126 CG GLN A 9 0.000 1.777 8.840 1.00 0.00 C ATOM 127 CD GLN A 9 -0.492 0.462 9.451 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.533 -0.133 8.937 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 0.077 -0.028 10.406 1.00 0.00 N flip ATOM 0 H GLN A 9 1.861 2.791 6.445 1.00 0.00 H new ATOM 0 HA GLN A 9 2.860 0.387 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.968 1.322 9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.903 2.765 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.300 2.615 9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.461 1.930 7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.891 0.437 10.808 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.259 -0.904 10.806 1.00 0.00 H new ATOM 138 N PHE A 10 -0.082 0.283 6.296 1.00 0.00 N ATOM 139 CA PHE A 10 -1.162 -0.667 5.904 1.00 0.00 C ATOM 140 C PHE A 10 -0.582 -1.794 5.046 1.00 0.00 C ATOM 141 O PHE A 10 -0.789 -2.961 5.316 1.00 0.00 O ATOM 142 CB PHE A 10 -2.224 0.090 5.104 1.00 0.00 C ATOM 143 CG PHE A 10 -3.404 -0.812 4.837 1.00 0.00 C ATOM 144 CD1 PHE A 10 -4.415 -0.943 5.797 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.490 -1.515 3.629 1.00 0.00 C ATOM 146 CE1 PHE A 10 -5.512 -1.775 5.549 1.00 0.00 C ATOM 147 CE2 PHE A 10 -4.587 -2.348 3.381 1.00 0.00 C ATOM 148 CZ PHE A 10 -5.598 -2.478 4.341 1.00 0.00 C ATOM 0 H PHE A 10 -0.160 1.217 5.894 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.609 -1.099 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.547 0.973 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.802 0.440 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.348 -0.402 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.710 -1.414 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.292 -1.875 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.654 -2.890 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.445 -3.121 4.150 1.00 0.00 H new ATOM 158 N VAL A 11 0.137 -1.456 4.012 1.00 0.00 N ATOM 159 CA VAL A 11 0.722 -2.506 3.136 1.00 0.00 C ATOM 160 C VAL A 11 1.888 -3.198 3.848 1.00 0.00 C ATOM 161 O VAL A 11 2.061 -4.398 3.753 1.00 0.00 O ATOM 162 CB VAL A 11 1.222 -1.860 1.842 1.00 0.00 C ATOM 163 CG1 VAL A 11 0.092 -1.051 1.204 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.400 -0.934 2.151 1.00 0.00 C ATOM 0 H VAL A 11 0.344 -0.496 3.736 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.042 -3.249 2.907 1.00 0.00 H new ATOM 0 HB VAL A 11 1.546 -2.639 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.449 -0.591 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.746 -1.711 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.234 -0.273 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.754 -0.475 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.079 -0.156 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.207 -1.511 2.603 1.00 0.00 H new ATOM 174 N VAL A 12 2.694 -2.452 4.553 1.00 0.00 N ATOM 175 CA VAL A 12 3.853 -3.066 5.261 1.00 0.00 C ATOM 176 C VAL A 12 3.354 -4.027 6.342 1.00 0.00 C ATOM 177 O VAL A 12 3.919 -5.080 6.555 1.00 0.00 O ATOM 178 CB VAL A 12 4.700 -1.966 5.899 1.00 0.00 C ATOM 179 CG1 VAL A 12 5.841 -2.597 6.699 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.288 -1.076 4.801 1.00 0.00 C ATOM 0 H VAL A 12 2.600 -1.443 4.669 1.00 0.00 H new ATOM 0 HA VAL A 12 4.459 -3.622 4.545 1.00 0.00 H new ATOM 0 HB VAL A 12 4.075 -1.368 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.445 -1.811 7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.428 -3.235 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.465 -3.195 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.893 -0.290 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.911 -1.678 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.479 -0.625 4.226 1.00 0.00 H new ATOM 190 N GLU A 13 2.298 -3.675 7.025 1.00 0.00 N ATOM 191 CA GLU A 13 1.768 -4.568 8.096 1.00 0.00 C ATOM 192 C GLU A 13 1.472 -5.947 7.511 1.00 0.00 C ATOM 193 O GLU A 13 1.564 -6.952 8.188 1.00 0.00 O ATOM 194 CB GLU A 13 0.485 -3.973 8.674 1.00 0.00 C ATOM 195 CG GLU A 13 0.010 -4.828 9.847 1.00 0.00 C ATOM 196 CD GLU A 13 -1.327 -4.291 10.362 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.818 -3.332 9.789 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.836 -4.848 11.321 1.00 0.00 O ATOM 0 H GLU A 13 1.779 -2.808 6.888 1.00 0.00 H new ATOM 0 HA GLU A 13 2.511 -4.661 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.663 -2.950 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.287 -3.930 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.100 -5.866 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.752 -4.813 10.645 1.00 0.00 H new ATOM 205 N GLU A 14 1.123 -6.005 6.258 1.00 0.00 N ATOM 206 CA GLU A 14 0.827 -7.323 5.634 1.00 0.00 C ATOM 207 C GLU A 14 2.107 -8.160 5.608 1.00 0.00 C ATOM 208 O GLU A 14 2.069 -9.373 5.663 1.00 0.00 O ATOM 209 CB GLU A 14 0.322 -7.108 4.206 1.00 0.00 C ATOM 210 CG GLU A 14 -0.113 -8.447 3.615 1.00 0.00 C ATOM 211 CD GLU A 14 -0.524 -8.253 2.154 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.920 -9.227 1.536 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.434 -7.133 1.678 1.00 0.00 O ATOM 0 H GLU A 14 1.030 -5.199 5.640 1.00 0.00 H new ATOM 0 HA GLU A 14 0.061 -7.843 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.514 -6.409 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.108 -6.666 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.702 -9.168 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.946 -8.855 4.187 1.00 0.00 H new ATOM 220 N PHE A 15 3.242 -7.520 5.526 1.00 0.00 N ATOM 221 CA PHE A 15 4.528 -8.273 5.499 1.00 0.00 C ATOM 222 C PHE A 15 5.625 -7.422 6.144 1.00 0.00 C ATOM 223 O PHE A 15 6.690 -7.242 5.591 1.00 0.00 O ATOM 224 CB PHE A 15 4.900 -8.583 4.046 1.00 0.00 C ATOM 225 CG PHE A 15 5.345 -7.317 3.352 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.401 -6.347 2.994 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.700 -7.115 3.058 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.811 -5.176 2.346 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.110 -5.944 2.411 1.00 0.00 C ATOM 230 CZ PHE A 15 6.165 -4.974 2.054 1.00 0.00 C ATOM 0 H PHE A 15 3.334 -6.505 5.476 1.00 0.00 H new ATOM 0 HA PHE A 15 4.423 -9.206 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.698 -9.325 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.044 -9.013 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.356 -6.502 3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.429 -7.864 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.082 -4.428 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.155 -5.788 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.481 -4.071 1.554 1.00 0.00 H new ATOM 240 N LEU A 16 5.376 -6.888 7.311 1.00 0.00 N ATOM 241 CA LEU A 16 6.407 -6.044 7.972 1.00 0.00 C ATOM 242 C LEU A 16 7.458 -6.930 8.656 1.00 0.00 C ATOM 243 O LEU A 16 7.128 -7.894 9.315 1.00 0.00 O ATOM 244 CB LEU A 16 5.738 -5.116 9.002 1.00 0.00 C ATOM 245 CG LEU A 16 5.466 -5.842 10.327 1.00 0.00 C ATOM 246 CD1 LEU A 16 4.879 -4.847 11.330 1.00 0.00 C ATOM 247 CD2 LEU A 16 4.459 -6.975 10.104 1.00 0.00 C ATOM 0 H LEU A 16 4.506 -7.001 7.831 1.00 0.00 H new ATOM 0 HA LEU A 16 6.906 -5.435 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.378 -4.253 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.800 -4.737 8.595 1.00 0.00 H new ATOM 0 HG LEU A 16 6.399 -6.257 10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.683 -5.355 12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.588 -4.036 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.947 -4.440 10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.271 -7.486 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.525 -6.562 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.864 -7.685 9.382 1.00 0.00 H new ATOM 259 N PRO A 17 8.719 -6.599 8.523 1.00 0.00 N ATOM 260 CA PRO A 17 9.810 -7.379 9.166 1.00 0.00 C ATOM 261 C PRO A 17 9.837 -7.124 10.677 1.00 0.00 C ATOM 262 O PRO A 17 8.833 -6.785 11.271 1.00 0.00 O ATOM 263 CB PRO A 17 11.080 -6.845 8.497 1.00 0.00 C ATOM 264 CG PRO A 17 10.741 -5.458 8.068 1.00 0.00 C ATOM 265 CD PRO A 17 9.249 -5.456 7.755 1.00 0.00 C ATOM 0 HA PRO A 17 9.693 -8.456 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.921 -6.848 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.366 -7.462 7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.974 -4.740 8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.322 -5.170 7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.779 -4.520 8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.066 -5.574 6.687 1.00 0.00 H new ATOM 273 N ASP A 18 10.967 -7.270 11.299 1.00 0.00 N ATOM 274 CA ASP A 18 11.043 -7.019 12.761 1.00 0.00 C ATOM 275 C ASP A 18 11.146 -5.511 12.997 1.00 0.00 C ATOM 276 O ASP A 18 11.470 -5.060 14.078 1.00 0.00 O ATOM 277 CB ASP A 18 12.278 -7.714 13.327 1.00 0.00 C ATOM 278 CG ASP A 18 12.100 -9.230 13.236 1.00 0.00 C ATOM 279 OD1 ASP A 18 10.991 -9.662 12.971 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.077 -9.934 13.434 1.00 0.00 O ATOM 0 H ASP A 18 11.843 -7.552 10.859 1.00 0.00 H new ATOM 0 HA ASP A 18 10.153 -7.408 13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.166 -7.408 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.431 -7.417 14.365 1.00 0.00 H new ATOM 285 N VAL A 19 10.883 -4.731 11.980 1.00 0.00 N ATOM 286 CA VAL A 19 10.973 -3.249 12.122 1.00 0.00 C ATOM 287 C VAL A 19 9.583 -2.625 11.985 1.00 0.00 C ATOM 288 O VAL A 19 8.818 -2.980 11.111 1.00 0.00 O ATOM 289 CB VAL A 19 11.874 -2.698 11.018 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.077 -1.196 11.225 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.228 -3.408 11.061 1.00 0.00 C ATOM 0 H VAL A 19 10.609 -5.059 11.054 1.00 0.00 H new ATOM 0 HA VAL A 19 11.383 -3.006 13.102 1.00 0.00 H new ATOM 0 HB VAL A 19 11.406 -2.870 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.720 -0.804 10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.112 -0.690 11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.544 -1.022 12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.870 -3.015 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.697 -3.239 12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.083 -4.478 10.910 1.00 0.00 H new ATOM 301 N ALA A 20 9.255 -1.689 12.834 1.00 0.00 N ATOM 302 CA ALA A 20 7.920 -1.036 12.738 1.00 0.00 C ATOM 303 C ALA A 20 7.929 -0.057 11.551 1.00 0.00 C ATOM 304 O ALA A 20 8.907 0.631 11.335 1.00 0.00 O ATOM 305 CB ALA A 20 7.640 -0.264 14.030 1.00 0.00 C ATOM 0 H ALA A 20 9.853 -1.350 13.588 1.00 0.00 H new ATOM 0 HA ALA A 20 7.147 -1.790 12.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.663 0.215 13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.649 -0.953 14.875 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.408 0.496 14.173 1.00 0.00 H new ATOM 311 N PRO A 21 6.861 0.025 10.788 1.00 0.00 N ATOM 312 CA PRO A 21 6.797 0.960 9.627 1.00 0.00 C ATOM 313 C PRO A 21 7.251 2.372 10.008 1.00 0.00 C ATOM 314 O PRO A 21 7.836 3.085 9.217 1.00 0.00 O ATOM 315 CB PRO A 21 5.317 0.975 9.243 1.00 0.00 C ATOM 316 CG PRO A 21 4.749 -0.306 9.755 1.00 0.00 C ATOM 317 CD PRO A 21 5.616 -0.752 10.932 1.00 0.00 C ATOM 0 HA PRO A 21 7.453 0.641 8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.808 1.832 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.194 1.053 8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.715 -0.168 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.745 -1.064 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.128 -0.547 11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.811 -1.824 10.898 1.00 0.00 H new ATOM 325 N ALA A 22 6.989 2.773 11.220 1.00 0.00 N ATOM 326 CA ALA A 22 7.406 4.131 11.668 1.00 0.00 C ATOM 327 C ALA A 22 8.932 4.197 11.732 1.00 0.00 C ATOM 328 O ALA A 22 9.520 5.261 11.726 1.00 0.00 O ATOM 329 CB ALA A 22 6.829 4.400 13.058 1.00 0.00 C ATOM 0 H ALA A 22 6.502 2.217 11.923 1.00 0.00 H new ATOM 0 HA ALA A 22 7.038 4.879 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.131 5.393 13.391 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.741 4.346 13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.203 3.653 13.758 1.00 0.00 H new ATOM 335 N ASP A 23 9.575 3.065 11.795 1.00 0.00 N ATOM 336 CA ASP A 23 11.061 3.049 11.860 1.00 0.00 C ATOM 337 C ASP A 23 11.617 2.837 10.455 1.00 0.00 C ATOM 338 O ASP A 23 12.813 2.791 10.247 1.00 0.00 O ATOM 339 CB ASP A 23 11.522 1.910 12.772 1.00 0.00 C ATOM 340 CG ASP A 23 11.097 2.205 14.212 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.702 3.328 14.475 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.173 1.300 15.029 1.00 0.00 O ATOM 0 H ASP A 23 9.132 2.146 11.804 1.00 0.00 H new ATOM 0 HA ASP A 23 11.423 3.996 12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.089 0.966 12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.605 1.801 12.716 1.00 0.00 H new ATOM 347 N VAL A 24 10.751 2.716 9.490 1.00 0.00 N ATOM 348 CA VAL A 24 11.211 2.516 8.092 1.00 0.00 C ATOM 349 C VAL A 24 10.977 3.808 7.315 1.00 0.00 C ATOM 350 O VAL A 24 9.929 4.415 7.406 1.00 0.00 O ATOM 351 CB VAL A 24 10.414 1.380 7.448 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.975 1.087 6.056 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.527 0.125 8.317 1.00 0.00 C ATOM 0 H VAL A 24 9.739 2.747 9.612 1.00 0.00 H new ATOM 0 HA VAL A 24 12.270 2.259 8.080 1.00 0.00 H new ATOM 0 HB VAL A 24 9.367 1.673 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.407 0.278 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.897 1.981 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.021 0.794 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.960 -0.686 7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.574 -0.167 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.128 0.333 9.310 1.00 0.00 H new ATOM 363 N ASP A 25 11.943 4.244 6.559 1.00 0.00 N ATOM 364 CA ASP A 25 11.761 5.504 5.794 1.00 0.00 C ATOM 365 C ASP A 25 10.765 5.269 4.660 1.00 0.00 C ATOM 366 O ASP A 25 11.106 4.738 3.621 1.00 0.00 O ATOM 367 CB ASP A 25 13.106 5.947 5.215 1.00 0.00 C ATOM 368 CG ASP A 25 14.060 6.307 6.355 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.245 6.430 6.093 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.589 6.453 7.471 1.00 0.00 O ATOM 0 H ASP A 25 12.846 3.785 6.439 1.00 0.00 H new ATOM 0 HA ASP A 25 11.379 6.282 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.533 5.149 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.966 6.806 4.559 1.00 0.00 H new ATOM 375 N VAL A 26 9.534 5.660 4.851 1.00 0.00 N ATOM 376 CA VAL A 26 8.513 5.458 3.781 1.00 0.00 C ATOM 377 C VAL A 26 8.944 6.195 2.507 1.00 0.00 C ATOM 378 O VAL A 26 8.216 6.245 1.535 1.00 0.00 O ATOM 379 CB VAL A 26 7.168 6.007 4.254 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.794 5.363 5.590 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.271 7.523 4.432 1.00 0.00 C ATOM 0 H VAL A 26 9.191 6.110 5.700 1.00 0.00 H new ATOM 0 HA VAL A 26 8.421 4.393 3.567 1.00 0.00 H new ATOM 0 HB VAL A 26 6.402 5.778 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.834 5.755 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.721 4.283 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.560 5.592 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.312 7.916 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.037 7.751 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.537 7.984 3.481 1.00 0.00 H new ATOM 391 N ASP A 27 10.123 6.755 2.495 1.00 0.00 N ATOM 392 CA ASP A 27 10.596 7.469 1.281 1.00 0.00 C ATOM 393 C ASP A 27 11.379 6.489 0.405 1.00 0.00 C ATOM 394 O ASP A 27 12.003 6.865 -0.567 1.00 0.00 O ATOM 395 CB ASP A 27 11.498 8.631 1.699 1.00 0.00 C ATOM 396 CG ASP A 27 12.754 8.096 2.395 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.444 8.887 3.015 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.005 6.906 2.298 1.00 0.00 O ATOM 0 H ASP A 27 10.778 6.747 3.277 1.00 0.00 H new ATOM 0 HA ASP A 27 9.747 7.860 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.779 9.217 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.957 9.299 2.370 1.00 0.00 H new ATOM 403 N LEU A 28 11.348 5.232 0.753 1.00 0.00 N ATOM 404 CA LEU A 28 12.086 4.209 -0.039 1.00 0.00 C ATOM 405 C LEU A 28 11.146 3.579 -1.060 1.00 0.00 C ATOM 406 O LEU A 28 10.019 3.243 -0.755 1.00 0.00 O ATOM 407 CB LEU A 28 12.601 3.116 0.901 1.00 0.00 C ATOM 408 CG LEU A 28 13.480 2.129 0.128 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.919 2.647 0.088 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.446 0.766 0.825 1.00 0.00 C ATOM 0 H LEU A 28 10.839 4.868 1.558 1.00 0.00 H new ATOM 0 HA LEU A 28 12.922 4.684 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.172 3.564 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.761 2.589 1.354 1.00 0.00 H new ATOM 0 HG LEU A 28 13.105 2.028 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.544 1.944 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.943 3.618 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.297 2.749 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.071 0.061 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.822 0.868 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.421 0.397 0.852 1.00 0.00 H new ATOM 422 N ASP A 29 11.601 3.398 -2.266 1.00 0.00 N ATOM 423 CA ASP A 29 10.727 2.770 -3.286 1.00 0.00 C ATOM 424 C ASP A 29 10.411 1.349 -2.827 1.00 0.00 C ATOM 425 O ASP A 29 11.296 0.547 -2.607 1.00 0.00 O ATOM 426 CB ASP A 29 11.449 2.731 -4.635 1.00 0.00 C ATOM 427 CG ASP A 29 11.642 4.158 -5.153 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.399 4.328 -6.093 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.028 5.055 -4.599 1.00 0.00 O ATOM 0 H ASP A 29 12.534 3.656 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 29 9.807 3.344 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.415 2.238 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.871 2.148 -5.352 1.00 0.00 H new ATOM 434 N LEU A 30 9.158 1.032 -2.665 1.00 0.00 N ATOM 435 CA LEU A 30 8.797 -0.334 -2.200 1.00 0.00 C ATOM 436 C LEU A 30 9.037 -1.341 -3.327 1.00 0.00 C ATOM 437 O LEU A 30 8.700 -2.503 -3.213 1.00 0.00 O ATOM 438 CB LEU A 30 7.323 -0.361 -1.790 1.00 0.00 C ATOM 439 CG LEU A 30 6.463 0.141 -2.950 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.269 -0.796 -3.141 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.961 1.550 -2.639 1.00 0.00 C ATOM 0 H LEU A 30 8.370 1.658 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 30 9.416 -0.600 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.029 -1.374 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.167 0.264 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 30 7.059 0.161 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.655 -0.439 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.627 -1.801 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.673 -0.816 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.348 1.909 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.365 1.531 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.812 2.217 -2.502 1.00 0.00 H new ATOM 453 N VAL A 31 9.619 -0.911 -4.414 1.00 0.00 N ATOM 454 CA VAL A 31 9.874 -1.856 -5.537 1.00 0.00 C ATOM 455 C VAL A 31 10.637 -3.066 -5.003 1.00 0.00 C ATOM 456 O VAL A 31 10.371 -4.192 -5.374 1.00 0.00 O ATOM 457 CB VAL A 31 10.701 -1.161 -6.618 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.153 -1.038 -6.151 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.649 -1.986 -7.906 1.00 0.00 C ATOM 0 H VAL A 31 9.927 0.048 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 31 8.927 -2.179 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 31 10.294 -0.167 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.743 -0.542 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.191 -0.452 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.561 -2.032 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.238 -1.492 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.056 -2.979 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.615 -2.075 -8.240 1.00 0.00 H new ATOM 469 N ASP A 32 11.565 -2.846 -4.116 1.00 0.00 N ATOM 470 CA ASP A 32 12.321 -3.993 -3.543 1.00 0.00 C ATOM 471 C ASP A 32 11.312 -4.943 -2.903 1.00 0.00 C ATOM 472 O ASP A 32 11.446 -6.149 -2.954 1.00 0.00 O ATOM 473 CB ASP A 32 13.301 -3.488 -2.481 1.00 0.00 C ATOM 474 CG ASP A 32 14.390 -2.647 -3.150 1.00 0.00 C ATOM 475 OD1 ASP A 32 15.120 -1.981 -2.435 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.476 -2.683 -4.366 1.00 0.00 O ATOM 0 H ASP A 32 11.832 -1.927 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 32 12.887 -4.505 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.772 -2.892 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.749 -4.331 -1.955 1.00 0.00 H new ATOM 481 N ASN A 33 10.287 -4.389 -2.318 1.00 0.00 N ATOM 482 CA ASN A 33 9.233 -5.221 -1.682 1.00 0.00 C ATOM 483 C ASN A 33 8.221 -5.622 -2.750 1.00 0.00 C ATOM 484 O ASN A 33 7.125 -6.052 -2.452 1.00 0.00 O ATOM 485 CB ASN A 33 8.535 -4.417 -0.592 1.00 0.00 C ATOM 486 CG ASN A 33 9.565 -3.946 0.429 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.387 -4.717 0.884 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.561 -2.702 0.802 1.00 0.00 N ATOM 0 H ASN A 33 10.135 -3.382 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 33 9.678 -6.111 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.022 -3.560 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.776 -5.028 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.249 -2.370 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.870 -2.057 0.419 1.00 0.00 H new ATOM 495 N GLY A 34 8.582 -5.462 -3.996 1.00 0.00 N ATOM 496 CA GLY A 34 7.654 -5.818 -5.105 1.00 0.00 C ATOM 497 C GLY A 34 6.963 -7.141 -4.784 1.00 0.00 C ATOM 498 O GLY A 34 5.971 -7.496 -5.386 1.00 0.00 O ATOM 0 H GLY A 34 9.487 -5.097 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.912 -5.031 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.205 -5.901 -6.042 1.00 0.00 H new ATOM 502 N VAL A 35 7.468 -7.871 -3.833 1.00 0.00 N ATOM 503 CA VAL A 35 6.818 -9.161 -3.476 1.00 0.00 C ATOM 504 C VAL A 35 5.331 -8.902 -3.229 1.00 0.00 C ATOM 505 O VAL A 35 4.482 -9.701 -3.568 1.00 0.00 O ATOM 506 CB VAL A 35 7.459 -9.723 -2.206 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.624 -10.892 -1.682 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.875 -10.211 -2.523 1.00 0.00 C ATOM 0 H VAL A 35 8.298 -7.633 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 35 6.943 -9.881 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 35 7.503 -8.941 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.083 -11.290 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.616 -10.546 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.577 -11.674 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.333 -10.612 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.829 -10.991 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.472 -9.378 -2.894 1.00 0.00 H new ATOM 518 N ILE A 36 5.017 -7.783 -2.635 1.00 0.00 N ATOM 519 CA ILE A 36 3.592 -7.451 -2.353 1.00 0.00 C ATOM 520 C ILE A 36 2.858 -7.131 -3.656 1.00 0.00 C ATOM 521 O ILE A 36 1.655 -7.238 -3.743 1.00 0.00 O ATOM 522 CB ILE A 36 3.538 -6.214 -1.461 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.208 -6.187 -0.713 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.651 -4.961 -2.332 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.070 -4.864 0.043 1.00 0.00 C ATOM 0 H ILE A 36 5.691 -7.080 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 36 3.120 -8.304 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 36 4.360 -6.242 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.382 -6.304 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.155 -7.023 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.613 -4.074 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.596 -4.979 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.825 -4.936 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.120 -4.847 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.888 -4.766 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.104 -4.035 -0.664 1.00 0.00 H new ATOM 537 N ASP A 37 3.570 -6.707 -4.655 1.00 0.00 N ATOM 538 CA ASP A 37 2.913 -6.342 -5.945 1.00 0.00 C ATOM 539 C ASP A 37 2.169 -7.539 -6.544 1.00 0.00 C ATOM 540 O ASP A 37 1.162 -7.376 -7.204 1.00 0.00 O ATOM 541 CB ASP A 37 3.968 -5.857 -6.942 1.00 0.00 C ATOM 542 CG ASP A 37 4.605 -4.566 -6.424 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.044 -3.973 -5.518 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.644 -4.192 -6.943 1.00 0.00 O ATOM 0 H ASP A 37 4.584 -6.595 -4.639 1.00 0.00 H new ATOM 0 HA ASP A 37 2.193 -5.548 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.732 -6.622 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.511 -5.684 -7.916 1.00 0.00 H new ATOM 549 N SER A 38 2.662 -8.734 -6.356 1.00 0.00 N ATOM 550 CA SER A 38 1.980 -9.916 -6.957 1.00 0.00 C ATOM 551 C SER A 38 1.228 -10.727 -5.898 1.00 0.00 C ATOM 552 O SER A 38 0.021 -10.853 -5.944 1.00 0.00 O ATOM 553 CB SER A 38 3.022 -10.808 -7.629 1.00 0.00 C ATOM 554 OG SER A 38 4.005 -9.987 -8.269 1.00 0.00 O ATOM 0 H SER A 38 3.502 -8.942 -5.816 1.00 0.00 H new ATOM 0 HA SER A 38 1.256 -9.557 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.496 -11.454 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.543 -11.459 -8.360 1.00 0.00 H new ATOM 559 N LEU A 39 1.931 -11.309 -4.967 1.00 0.00 N ATOM 560 CA LEU A 39 1.249 -12.147 -3.939 1.00 0.00 C ATOM 561 C LEU A 39 0.467 -11.278 -2.954 1.00 0.00 C ATOM 562 O LEU A 39 -0.703 -11.498 -2.713 1.00 0.00 O ATOM 563 CB LEU A 39 2.293 -12.960 -3.172 1.00 0.00 C ATOM 564 CG LEU A 39 2.953 -13.977 -4.106 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.311 -13.445 -4.568 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.154 -15.297 -3.357 1.00 0.00 C ATOM 0 H LEU A 39 2.944 -11.242 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 39 0.551 -12.813 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.048 -12.295 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.822 -13.475 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 39 2.314 -14.140 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.779 -14.171 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.171 -12.504 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.951 -13.281 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.624 -16.024 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.793 -15.130 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.188 -15.679 -3.027 1.00 0.00 H new ATOM 578 N GLY A 40 1.099 -10.299 -2.378 1.00 0.00 N ATOM 579 CA GLY A 40 0.385 -9.428 -1.403 1.00 0.00 C ATOM 580 C GLY A 40 -0.692 -8.620 -2.122 1.00 0.00 C ATOM 581 O GLY A 40 -1.758 -8.374 -1.593 1.00 0.00 O ATOM 0 H GLY A 40 2.078 -10.062 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.067 -10.037 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.092 -8.756 -0.916 1.00 0.00 H new ATOM 585 N LEU A 41 -0.416 -8.197 -3.321 1.00 0.00 N ATOM 586 CA LEU A 41 -1.410 -7.392 -4.080 1.00 0.00 C ATOM 587 C LEU A 41 -2.699 -8.196 -4.242 1.00 0.00 C ATOM 588 O LEU A 41 -3.787 -7.677 -4.101 1.00 0.00 O ATOM 589 CB LEU A 41 -0.833 -7.066 -5.458 1.00 0.00 C ATOM 590 CG LEU A 41 -1.766 -6.112 -6.206 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.409 -4.672 -5.847 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.604 -6.318 -7.714 1.00 0.00 C ATOM 0 H LEU A 41 0.461 -8.375 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.628 -6.469 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.153 -6.613 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.701 -7.983 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.799 -6.313 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.072 -3.989 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.523 -4.526 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.377 -4.471 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.269 -5.638 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.572 -6.115 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.856 -7.347 -7.970 1.00 0.00 H new ATOM 604 N LEU A 42 -2.585 -9.459 -4.535 1.00 0.00 N ATOM 605 CA LEU A 42 -3.811 -10.289 -4.705 1.00 0.00 C ATOM 606 C LEU A 42 -4.541 -10.389 -3.364 1.00 0.00 C ATOM 607 O LEU A 42 -5.746 -10.251 -3.289 1.00 0.00 O ATOM 608 CB LEU A 42 -3.415 -11.691 -5.180 1.00 0.00 C ATOM 609 CG LEU A 42 -4.670 -12.499 -5.515 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.133 -12.153 -6.927 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.347 -13.993 -5.438 1.00 0.00 C ATOM 0 H LEU A 42 -1.702 -9.952 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.467 -9.829 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.773 -11.620 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.841 -12.199 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.460 -12.259 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.027 -12.728 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.359 -11.088 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.344 -12.395 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.240 -14.571 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.559 -14.232 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.012 -14.241 -4.431 1.00 0.00 H new ATOM 623 N LYS A 43 -3.817 -10.622 -2.304 1.00 0.00 N ATOM 624 CA LYS A 43 -4.460 -10.726 -0.967 1.00 0.00 C ATOM 625 C LYS A 43 -5.028 -9.367 -0.555 1.00 0.00 C ATOM 626 O LYS A 43 -6.063 -9.279 0.075 1.00 0.00 O ATOM 627 CB LYS A 43 -3.418 -11.175 0.053 1.00 0.00 C ATOM 628 CG LYS A 43 -2.942 -12.588 -0.289 1.00 0.00 C ATOM 629 CD LYS A 43 -1.985 -13.082 0.798 1.00 0.00 C ATOM 630 CE LYS A 43 -1.416 -14.444 0.395 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.385 -15.340 1.585 1.00 0.00 N ATOM 0 H LYS A 43 -2.804 -10.745 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.272 -11.451 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.574 -10.486 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.844 -11.157 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.796 -13.261 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.441 -12.590 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.176 -12.365 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.509 -13.162 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.027 -14.887 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.411 -14.325 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.998 -16.266 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.785 -14.918 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.350 -15.462 1.953 1.00 0.00 H new ATOM 645 N VAL A 44 -4.349 -8.306 -0.895 1.00 0.00 N ATOM 646 CA VAL A 44 -4.836 -6.950 -0.512 1.00 0.00 C ATOM 647 C VAL A 44 -6.191 -6.668 -1.162 1.00 0.00 C ATOM 648 O VAL A 44 -7.096 -6.166 -0.532 1.00 0.00 O ATOM 649 CB VAL A 44 -3.827 -5.902 -0.974 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.409 -4.506 -0.752 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.537 -6.055 -0.167 1.00 0.00 C ATOM 0 H VAL A 44 -3.476 -8.319 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.948 -6.908 0.571 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.612 -6.039 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.690 -3.756 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.331 -4.401 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.621 -4.365 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.813 -5.308 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.752 -5.914 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.126 -7.052 -0.324 1.00 0.00 H new ATOM 661 N ILE A 45 -6.343 -6.983 -2.414 1.00 0.00 N ATOM 662 CA ILE A 45 -7.643 -6.722 -3.086 1.00 0.00 C ATOM 663 C ILE A 45 -8.755 -7.479 -2.354 1.00 0.00 C ATOM 664 O ILE A 45 -9.796 -6.932 -2.049 1.00 0.00 O ATOM 665 CB ILE A 45 -7.560 -7.195 -4.540 1.00 0.00 C ATOM 666 CG1 ILE A 45 -7.157 -6.023 -5.443 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.918 -7.735 -4.987 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.725 -5.592 -5.123 1.00 0.00 C ATOM 0 H ILE A 45 -5.626 -7.409 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.864 -5.655 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.813 -7.986 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.233 -6.316 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.840 -5.186 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.853 -8.070 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.203 -8.573 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.667 -6.947 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.443 -4.759 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.663 -5.281 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.047 -6.428 -5.293 1.00 0.00 H new ATOM 680 N ALA A 46 -8.544 -8.735 -2.082 1.00 0.00 N ATOM 681 CA ALA A 46 -9.585 -9.539 -1.383 1.00 0.00 C ATOM 682 C ALA A 46 -9.772 -9.047 0.057 1.00 0.00 C ATOM 683 O ALA A 46 -10.880 -8.911 0.538 1.00 0.00 O ATOM 684 CB ALA A 46 -9.142 -11.002 -1.356 1.00 0.00 C ATOM 0 H ALA A 46 -7.691 -9.243 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.531 -9.434 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.896 -11.601 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.020 -11.364 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.193 -11.085 -0.825 1.00 0.00 H new ATOM 690 N TRP A 47 -8.699 -8.793 0.754 1.00 0.00 N ATOM 691 CA TRP A 47 -8.816 -8.329 2.166 1.00 0.00 C ATOM 692 C TRP A 47 -9.245 -6.861 2.207 1.00 0.00 C ATOM 693 O TRP A 47 -10.092 -6.475 2.987 1.00 0.00 O ATOM 694 CB TRP A 47 -7.466 -8.497 2.858 1.00 0.00 C ATOM 695 CG TRP A 47 -7.357 -7.536 3.994 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.304 -7.316 4.935 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.246 -6.664 4.315 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.835 -6.356 5.818 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.568 -5.924 5.475 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.001 -6.451 3.711 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.676 -4.998 6.017 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.099 -5.521 4.251 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.435 -4.796 5.402 1.00 0.00 C ATOM 0 H TRP A 47 -7.745 -8.887 0.407 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.570 -8.924 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.359 -9.519 3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.658 -8.326 2.146 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.265 -7.806 4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.360 -6.011 6.622 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.733 -7.006 2.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.941 -4.442 6.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.141 -5.363 3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.737 -4.082 5.814 1.00 0.00 H new ATOM 714 N LEU A 48 -8.666 -6.043 1.378 1.00 0.00 N ATOM 715 CA LEU A 48 -9.034 -4.603 1.371 1.00 0.00 C ATOM 716 C LEU A 48 -10.534 -4.459 1.102 1.00 0.00 C ATOM 717 O LEU A 48 -11.204 -3.641 1.701 1.00 0.00 O ATOM 718 CB LEU A 48 -8.239 -3.895 0.274 1.00 0.00 C ATOM 719 CG LEU A 48 -8.471 -2.392 0.340 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.492 -1.785 1.338 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.237 -1.786 -1.042 1.00 0.00 C ATOM 0 H LEU A 48 -7.951 -6.311 0.702 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.803 -4.155 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.177 -4.111 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.538 -4.273 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.493 -2.185 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.650 -0.708 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.654 -2.226 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.471 -1.986 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.402 -0.709 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.213 -1.984 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.929 -2.231 -1.757 1.00 0.00 H new ATOM 733 N GLU A 49 -11.069 -5.247 0.212 1.00 0.00 N ATOM 734 CA GLU A 49 -12.527 -5.150 -0.079 1.00 0.00 C ATOM 735 C GLU A 49 -13.319 -5.473 1.186 1.00 0.00 C ATOM 736 O GLU A 49 -14.290 -4.819 1.507 1.00 0.00 O ATOM 737 CB GLU A 49 -12.887 -6.136 -1.201 1.00 0.00 C ATOM 738 CG GLU A 49 -14.369 -6.513 -1.133 1.00 0.00 C ATOM 739 CD GLU A 49 -14.740 -7.342 -2.363 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.909 -7.660 -2.507 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.850 -7.645 -3.140 1.00 0.00 O ATOM 0 H GLU A 49 -10.563 -5.951 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.775 -4.139 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.664 -5.690 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.274 -7.033 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.570 -7.081 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.983 -5.613 -1.089 1.00 0.00 H new ATOM 748 N ASP A 50 -12.916 -6.479 1.909 1.00 0.00 N ATOM 749 CA ASP A 50 -13.650 -6.843 3.152 1.00 0.00 C ATOM 750 C ASP A 50 -13.505 -5.736 4.200 1.00 0.00 C ATOM 751 O ASP A 50 -14.449 -5.384 4.880 1.00 0.00 O ATOM 752 CB ASP A 50 -13.073 -8.142 3.710 1.00 0.00 C ATOM 753 CG ASP A 50 -13.951 -8.640 4.860 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.987 -8.039 5.091 1.00 0.00 O ATOM 755 OD2 ASP A 50 -13.572 -9.614 5.489 1.00 0.00 O ATOM 0 H ASP A 50 -12.110 -7.065 1.693 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.707 -6.971 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.022 -8.896 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.054 -7.978 4.061 1.00 0.00 H new ATOM 760 N ARG A 51 -12.324 -5.206 4.354 1.00 0.00 N ATOM 761 CA ARG A 51 -12.105 -4.143 5.379 1.00 0.00 C ATOM 762 C ARG A 51 -12.904 -2.877 5.046 1.00 0.00 C ATOM 763 O ARG A 51 -13.505 -2.276 5.915 1.00 0.00 O ATOM 764 CB ARG A 51 -10.615 -3.800 5.440 1.00 0.00 C ATOM 765 CG ARG A 51 -10.359 -2.856 6.616 1.00 0.00 C ATOM 766 CD ARG A 51 -8.875 -2.487 6.663 1.00 0.00 C ATOM 767 NE ARG A 51 -8.596 -1.705 7.900 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.081 -0.501 8.037 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.837 0.181 9.123 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.807 0.022 7.088 1.00 0.00 N ATOM 0 H ARG A 51 -11.498 -5.463 3.814 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.447 -4.520 6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.025 -4.710 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.300 -3.331 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.965 -1.956 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.655 -3.333 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.264 -3.390 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.607 -1.903 5.783 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.025 -2.111 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.267 -0.227 9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.216 1.122 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.996 -0.510 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.186 0.963 7.195 1.00 0.00 H new ATOM 784 N PHE A 52 -12.903 -2.449 3.810 1.00 0.00 N ATOM 785 CA PHE A 52 -13.646 -1.207 3.456 1.00 0.00 C ATOM 786 C PHE A 52 -14.945 -1.543 2.720 1.00 0.00 C ATOM 787 O PHE A 52 -15.780 -0.686 2.504 1.00 0.00 O ATOM 788 CB PHE A 52 -12.766 -0.349 2.550 1.00 0.00 C ATOM 789 CG PHE A 52 -11.567 0.147 3.322 1.00 0.00 C ATOM 790 CD1 PHE A 52 -10.356 -0.552 3.259 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.666 1.309 4.097 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.243 -0.089 3.969 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.553 1.771 4.808 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.341 1.073 4.745 1.00 0.00 C ATOM 0 H PHE A 52 -12.422 -2.905 3.035 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.893 -0.670 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.440 -0.931 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.338 0.496 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.281 -1.449 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.601 1.848 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.308 -0.628 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.629 2.667 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.482 1.430 5.294 1.00 0.00 H new ATOM 804 N GLY A 53 -15.129 -2.771 2.329 1.00 0.00 N ATOM 805 CA GLY A 53 -16.382 -3.130 1.605 1.00 0.00 C ATOM 806 C GLY A 53 -16.319 -2.582 0.177 1.00 0.00 C ATOM 807 O GLY A 53 -17.332 -2.344 -0.452 1.00 0.00 O ATOM 0 H GLY A 53 -14.473 -3.538 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.506 -4.213 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.247 -2.719 2.126 1.00 0.00 H new ATOM 811 N ILE A 54 -15.137 -2.375 -0.342 1.00 0.00 N ATOM 812 CA ILE A 54 -15.014 -1.837 -1.729 1.00 0.00 C ATOM 813 C ILE A 54 -14.840 -2.996 -2.710 1.00 0.00 C ATOM 814 O ILE A 54 -14.179 -3.970 -2.422 1.00 0.00 O ATOM 815 CB ILE A 54 -13.792 -0.923 -1.812 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.926 0.201 -0.783 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.701 -0.318 -3.214 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.609 0.972 -0.702 1.00 0.00 C ATOM 0 H ILE A 54 -14.253 -2.555 0.134 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.913 -1.274 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.892 -1.502 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.737 0.873 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.179 -0.213 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.829 0.334 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.607 -1.117 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.601 0.261 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.701 1.774 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.809 0.295 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.376 1.397 -1.678 1.00 0.00 H new ATOM 830 N ALA A 55 -15.427 -2.900 -3.870 1.00 0.00 N ATOM 831 CA ALA A 55 -15.295 -4.001 -4.863 1.00 0.00 C ATOM 832 C ALA A 55 -13.821 -4.179 -5.224 1.00 0.00 C ATOM 833 O ALA A 55 -13.045 -3.245 -5.189 1.00 0.00 O ATOM 834 CB ALA A 55 -16.092 -3.653 -6.122 1.00 0.00 C ATOM 0 H ALA A 55 -15.992 -2.107 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.681 -4.927 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.995 -4.460 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.143 -3.522 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.707 -2.729 -6.552 1.00 0.00 H new ATOM 840 N ALA A 56 -13.425 -5.375 -5.560 1.00 0.00 N ATOM 841 CA ALA A 56 -11.997 -5.613 -5.909 1.00 0.00 C ATOM 842 C ALA A 56 -11.583 -4.674 -7.042 1.00 0.00 C ATOM 843 O ALA A 56 -10.496 -4.131 -7.043 1.00 0.00 O ATOM 844 CB ALA A 56 -11.820 -7.065 -6.360 1.00 0.00 C ATOM 0 H ALA A 56 -14.027 -6.197 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.373 -5.423 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.775 -7.242 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.114 -7.735 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.444 -7.253 -7.233 1.00 0.00 H new ATOM 850 N ASP A 57 -12.440 -4.472 -8.003 1.00 0.00 N ATOM 851 CA ASP A 57 -12.088 -3.561 -9.129 1.00 0.00 C ATOM 852 C ASP A 57 -10.722 -3.958 -9.685 1.00 0.00 C ATOM 853 O ASP A 57 -9.853 -3.128 -9.873 1.00 0.00 O ATOM 854 CB ASP A 57 -12.036 -2.120 -8.622 1.00 0.00 C ATOM 855 CG ASP A 57 -13.435 -1.683 -8.182 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.383 -2.374 -8.517 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.533 -0.665 -7.518 1.00 0.00 O ATOM 0 H ASP A 57 -13.366 -4.896 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.840 -3.639 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.340 -2.042 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.667 -1.460 -9.407 1.00 0.00 H new ATOM 862 N ASP A 58 -10.517 -5.220 -9.940 1.00 0.00 N ATOM 863 CA ASP A 58 -9.199 -5.665 -10.470 1.00 0.00 C ATOM 864 C ASP A 58 -8.946 -5.036 -11.840 1.00 0.00 C ATOM 865 O ASP A 58 -9.718 -5.195 -12.765 1.00 0.00 O ATOM 866 CB ASP A 58 -9.194 -7.187 -10.600 1.00 0.00 C ATOM 867 CG ASP A 58 -9.245 -7.819 -9.208 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.023 -7.103 -8.245 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.504 -9.009 -9.129 1.00 0.00 O ATOM 0 H ASP A 58 -11.204 -5.961 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.413 -5.351 -9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.049 -7.515 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.298 -7.515 -11.127 1.00 0.00 H new ATOM 874 N VAL A 59 -7.857 -4.329 -11.975 1.00 0.00 N ATOM 875 CA VAL A 59 -7.526 -3.690 -13.278 1.00 0.00 C ATOM 876 C VAL A 59 -6.047 -3.935 -13.586 1.00 0.00 C ATOM 877 O VAL A 59 -5.279 -4.296 -12.717 1.00 0.00 O ATOM 878 CB VAL A 59 -7.801 -2.187 -13.197 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.301 -1.953 -13.004 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.042 -1.591 -12.010 1.00 0.00 C ATOM 0 H VAL A 59 -7.178 -4.166 -11.232 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.141 -4.118 -14.070 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.470 -1.709 -14.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.498 -0.882 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.847 -2.377 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.628 -2.432 -12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.238 -0.520 -11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.373 -2.070 -11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.973 -1.757 -12.141 1.00 0.00 H new ATOM 890 N GLU A 60 -5.638 -3.757 -14.812 1.00 0.00 N ATOM 891 CA GLU A 60 -4.206 -3.992 -15.155 1.00 0.00 C ATOM 892 C GLU A 60 -3.335 -2.971 -14.431 1.00 0.00 C ATOM 893 O GLU A 60 -3.620 -1.789 -14.434 1.00 0.00 O ATOM 894 CB GLU A 60 -4.021 -3.854 -16.661 1.00 0.00 C ATOM 895 CG GLU A 60 -4.911 -4.873 -17.346 1.00 0.00 C ATOM 896 CD GLU A 60 -4.640 -4.870 -18.851 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.157 -5.744 -19.527 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.921 -3.994 -19.302 1.00 0.00 O ATOM 0 H GLU A 60 -6.230 -3.460 -15.588 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.913 -4.995 -14.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.280 -2.846 -16.984 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.978 -4.018 -16.932 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.725 -5.866 -16.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.959 -4.641 -17.156 1.00 0.00 H new ATOM 905 N LEU A 61 -2.286 -3.419 -13.797 1.00 0.00 N ATOM 906 CA LEU A 61 -1.405 -2.478 -13.055 1.00 0.00 C ATOM 907 C LEU A 61 0.038 -2.636 -13.537 1.00 0.00 C ATOM 908 O LEU A 61 0.467 -3.715 -13.896 1.00 0.00 O ATOM 909 CB LEU A 61 -1.476 -2.800 -11.559 1.00 0.00 C ATOM 910 CG LEU A 61 -2.913 -3.159 -11.171 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.970 -3.488 -9.681 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.851 -1.983 -11.462 1.00 0.00 C ATOM 0 H LEU A 61 -2.002 -4.398 -13.762 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.735 -1.454 -13.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.809 -3.629 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.136 -1.943 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.230 -4.023 -11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.993 -3.744 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.315 -4.333 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.643 -2.622 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.869 -2.252 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.534 -1.113 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.818 -1.746 -12.525 1.00 0.00 H new ATOM 924 N SER A 62 0.791 -1.569 -13.537 1.00 0.00 N ATOM 925 CA SER A 62 2.209 -1.651 -13.984 1.00 0.00 C ATOM 926 C SER A 62 3.126 -1.427 -12.780 1.00 0.00 C ATOM 927 O SER A 62 2.730 -0.846 -11.789 1.00 0.00 O ATOM 928 CB SER A 62 2.476 -0.574 -15.036 1.00 0.00 C ATOM 929 OG SER A 62 1.438 0.396 -14.990 1.00 0.00 O ATOM 0 H SER A 62 0.483 -0.641 -13.245 1.00 0.00 H new ATOM 0 HA SER A 62 2.402 -2.633 -14.417 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.440 -0.100 -14.851 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.526 -1.023 -16.028 1.00 0.00 H new ATOM 0 HG SER A 62 1.608 1.089 -15.662 1.00 0.00 H new ATOM 935 N PRO A 63 4.344 -1.889 -12.864 1.00 0.00 N ATOM 936 CA PRO A 63 5.340 -1.742 -11.763 1.00 0.00 C ATOM 937 C PRO A 63 5.616 -0.273 -11.429 1.00 0.00 C ATOM 938 O PRO A 63 6.004 0.061 -10.327 1.00 0.00 O ATOM 939 CB PRO A 63 6.606 -2.417 -12.302 1.00 0.00 C ATOM 940 CG PRO A 63 6.413 -2.538 -13.778 1.00 0.00 C ATOM 941 CD PRO A 63 4.907 -2.599 -14.019 1.00 0.00 C ATOM 0 HA PRO A 63 4.980 -2.189 -10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.492 -1.825 -12.072 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.750 -3.396 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.854 -1.687 -14.297 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.903 -3.433 -14.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.631 -2.119 -14.958 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.550 -3.628 -14.070 1.00 0.00 H new ATOM 949 N GLU A 64 5.418 0.605 -12.373 1.00 0.00 N ATOM 950 CA GLU A 64 5.668 2.051 -12.114 1.00 0.00 C ATOM 951 C GLU A 64 4.716 2.551 -11.026 1.00 0.00 C ATOM 952 O GLU A 64 5.045 3.431 -10.256 1.00 0.00 O ATOM 953 CB GLU A 64 5.437 2.846 -13.398 1.00 0.00 C ATOM 954 CG GLU A 64 6.462 2.432 -14.448 1.00 0.00 C ATOM 955 CD GLU A 64 6.276 3.278 -15.708 1.00 0.00 C ATOM 956 OE1 GLU A 64 7.120 3.194 -16.585 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.292 3.996 -15.776 1.00 0.00 O ATOM 0 H GLU A 64 5.093 0.383 -13.314 1.00 0.00 H new ATOM 0 HA GLU A 64 6.698 2.186 -11.783 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.428 2.669 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.519 3.914 -13.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.471 2.561 -14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.346 1.375 -14.687 1.00 0.00 H new ATOM 964 N HIS A 65 3.536 1.998 -10.958 1.00 0.00 N ATOM 965 CA HIS A 65 2.561 2.444 -9.922 1.00 0.00 C ATOM 966 C HIS A 65 3.063 2.041 -8.534 1.00 0.00 C ATOM 967 O HIS A 65 2.742 2.666 -7.543 1.00 0.00 O ATOM 968 CB HIS A 65 1.204 1.786 -10.183 1.00 0.00 C ATOM 969 CG HIS A 65 0.233 2.201 -9.113 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.077 1.380 -8.036 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.501 3.348 -8.933 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.962 2.038 -7.265 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.251 3.240 -7.768 1.00 0.00 N ATOM 0 H HIS A 65 3.205 1.256 -11.575 1.00 0.00 H new ATOM 0 HA HIS A 65 2.457 3.528 -9.968 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.828 2.079 -11.164 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.309 0.701 -10.193 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.298 0.448 -7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.496 4.202 -9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.385 1.643 -6.353 1.00 0.00 H new ATOM 982 N PHE A 66 3.847 1.003 -8.454 1.00 0.00 N ATOM 983 CA PHE A 66 4.364 0.561 -7.128 1.00 0.00 C ATOM 984 C PHE A 66 5.782 1.100 -6.928 1.00 0.00 C ATOM 985 O PHE A 66 6.452 0.769 -5.972 1.00 0.00 O ATOM 986 CB PHE A 66 4.386 -0.968 -7.076 1.00 0.00 C ATOM 987 CG PHE A 66 2.984 -1.495 -7.254 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.145 -1.647 -6.143 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.519 -1.828 -8.532 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.843 -2.132 -6.310 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.217 -2.314 -8.699 1.00 0.00 C ATOM 992 CZ PHE A 66 0.379 -2.466 -7.589 1.00 0.00 C ATOM 0 H PHE A 66 4.152 0.441 -9.249 1.00 0.00 H new ATOM 0 HA PHE A 66 3.717 0.943 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.036 -1.360 -7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.795 -1.305 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.503 -1.390 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.165 -1.710 -9.389 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.196 -2.249 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.859 -2.572 -9.685 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.626 -2.841 -7.718 1.00 0.00 H new ATOM 1002 N ARG A 67 6.247 1.923 -7.827 1.00 0.00 N ATOM 1003 CA ARG A 67 7.625 2.475 -7.687 1.00 0.00 C ATOM 1004 C ARG A 67 7.764 3.180 -6.334 1.00 0.00 C ATOM 1005 O ARG A 67 8.785 3.088 -5.683 1.00 0.00 O ATOM 1006 CB ARG A 67 7.888 3.475 -8.821 1.00 0.00 C ATOM 1007 CG ARG A 67 9.333 3.990 -8.765 1.00 0.00 C ATOM 1008 CD ARG A 67 10.287 2.961 -9.382 1.00 0.00 C ATOM 1009 NE ARG A 67 11.677 3.499 -9.356 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.083 4.298 -10.304 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.300 4.771 -10.281 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.274 4.624 -11.274 1.00 0.00 N ATOM 0 H ARG A 67 5.734 2.237 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 67 8.350 1.663 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.704 2.998 -9.784 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.195 4.312 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.411 4.936 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.617 4.186 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.237 2.024 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.989 2.741 -10.407 1.00 0.00 H new ATOM 0 HE ARG A 67 12.310 3.243 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.932 4.516 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.618 5.396 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.324 4.254 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.592 5.249 -12.015 1.00 0.00 H new ATOM 1026 N SER A 68 6.753 3.886 -5.904 1.00 0.00 N ATOM 1027 CA SER A 68 6.851 4.591 -4.593 1.00 0.00 C ATOM 1028 C SER A 68 5.500 4.559 -3.878 1.00 0.00 C ATOM 1029 O SER A 68 4.460 4.424 -4.493 1.00 0.00 O ATOM 1030 CB SER A 68 7.267 6.044 -4.828 1.00 0.00 C ATOM 1031 OG SER A 68 6.209 6.735 -5.480 1.00 0.00 O ATOM 0 H SER A 68 5.869 4.005 -6.399 1.00 0.00 H new ATOM 0 HA SER A 68 7.594 4.090 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.501 6.526 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.171 6.082 -5.436 1.00 0.00 H new ATOM 0 HG SER A 68 6.471 7.667 -5.631 1.00 0.00 H new ATOM 1037 N ILE A 69 5.509 4.687 -2.578 1.00 0.00 N ATOM 1038 CA ILE A 69 4.238 4.671 -1.809 1.00 0.00 C ATOM 1039 C ILE A 69 3.360 5.854 -2.231 1.00 0.00 C ATOM 1040 O ILE A 69 2.152 5.752 -2.289 1.00 0.00 O ATOM 1041 CB ILE A 69 4.565 4.783 -0.321 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.444 3.611 0.100 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.280 4.747 0.484 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.954 3.833 1.524 1.00 0.00 C ATOM 0 H ILE A 69 6.351 4.803 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 69 3.700 3.744 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 69 5.090 5.721 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.877 2.682 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.285 3.510 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.513 4.827 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.642 5.580 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.759 3.808 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.582 2.993 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.537 4.753 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.107 3.912 2.206 1.00 0.00 H new ATOM 1056 N ARG A 70 3.961 6.978 -2.513 1.00 0.00 N ATOM 1057 CA ARG A 70 3.165 8.174 -2.916 1.00 0.00 C ATOM 1058 C ARG A 70 2.373 7.881 -4.193 1.00 0.00 C ATOM 1059 O ARG A 70 1.243 8.303 -4.337 1.00 0.00 O ATOM 1060 CB ARG A 70 4.111 9.350 -3.167 1.00 0.00 C ATOM 1061 CG ARG A 70 3.295 10.599 -3.511 1.00 0.00 C ATOM 1062 CD ARG A 70 4.237 11.789 -3.699 1.00 0.00 C ATOM 1063 NE ARG A 70 5.036 11.598 -4.942 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.754 12.581 -5.414 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.454 12.414 -6.503 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.772 13.730 -4.795 1.00 0.00 N ATOM 0 H ARG A 70 4.971 7.120 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 70 2.467 8.421 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.722 9.534 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.794 9.113 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.719 10.431 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.580 10.810 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.664 12.714 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.900 11.882 -2.839 1.00 0.00 H new ATOM 0 HE ARG A 70 5.022 10.699 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.440 11.515 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.015 13.182 -6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.226 13.859 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.333 14.499 -5.163 1.00 0.00 H new ATOM 1080 N SER A 71 2.951 7.173 -5.124 1.00 0.00 N ATOM 1081 CA SER A 71 2.219 6.873 -6.384 1.00 0.00 C ATOM 1082 C SER A 71 0.946 6.087 -6.063 1.00 0.00 C ATOM 1083 O SER A 71 -0.087 6.285 -6.669 1.00 0.00 O ATOM 1084 CB SER A 71 3.117 6.042 -7.298 1.00 0.00 C ATOM 1085 OG SER A 71 3.303 4.754 -6.727 1.00 0.00 O ATOM 0 H SER A 71 3.895 6.791 -5.066 1.00 0.00 H new ATOM 0 HA SER A 71 1.949 7.804 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.667 5.953 -8.287 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.079 6.537 -7.430 1.00 0.00 H new ATOM 0 HG SER A 71 2.851 4.083 -7.280 1.00 0.00 H new ATOM 1091 N ILE A 72 1.012 5.201 -5.108 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.187 4.409 -4.740 1.00 0.00 C ATOM 1093 C ILE A 72 -1.228 5.331 -4.102 1.00 0.00 C ATOM 1094 O ILE A 72 -2.414 5.196 -4.324 1.00 0.00 O ATOM 1095 CB ILE A 72 0.222 3.329 -3.742 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.281 2.424 -4.376 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.000 2.497 -3.372 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.789 1.426 -3.336 1.00 0.00 C ATOM 0 H ILE A 72 1.851 4.993 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.615 3.945 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 72 0.632 3.795 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.857 1.893 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.109 3.024 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.712 1.724 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.756 3.141 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.407 2.030 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.543 0.782 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.229 1.966 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.958 0.817 -2.980 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.787 6.264 -3.303 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.742 7.195 -2.639 1.00 0.00 C ATOM 1112 C ASP A 73 -2.563 7.939 -3.693 1.00 0.00 C ATOM 1113 O ASP A 73 -3.741 8.177 -3.518 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.960 8.205 -1.797 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.929 8.999 -0.921 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.093 8.640 -0.883 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.489 9.954 -0.301 1.00 0.00 O ATOM 0 H ASP A 73 0.196 6.422 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.415 6.624 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.231 7.687 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.403 8.881 -2.446 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.954 8.317 -4.783 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.712 9.051 -5.832 1.00 0.00 C ATOM 1124 C ALA A 74 -3.802 8.148 -6.408 1.00 0.00 C ATOM 1125 O ALA A 74 -4.929 8.562 -6.595 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.758 9.480 -6.949 1.00 0.00 C ATOM 0 H ALA A 74 -0.970 8.150 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.173 9.934 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.315 10.017 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.986 10.131 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.293 8.598 -7.389 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.479 6.917 -6.688 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.507 5.994 -7.247 1.00 0.00 C ATOM 1134 C PHE A 75 -5.605 5.766 -6.208 1.00 0.00 C ATOM 1135 O PHE A 75 -6.780 5.839 -6.505 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.856 4.661 -7.610 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.877 3.765 -8.268 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.118 3.871 -9.643 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.583 2.829 -7.504 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.065 3.040 -10.254 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.530 1.998 -8.115 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.770 2.103 -9.490 1.00 0.00 C ATOM 0 H PHE A 75 -2.553 6.511 -6.555 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.943 6.436 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.014 4.826 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.459 4.182 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.573 4.594 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.397 2.748 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.251 3.122 -11.315 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.075 1.276 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.499 1.461 -9.961 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.229 5.488 -4.989 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.241 5.255 -3.928 1.00 0.00 C ATOM 1154 C VAL A 76 -7.039 6.537 -3.678 1.00 0.00 C ATOM 1155 O VAL A 76 -8.241 6.505 -3.515 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.523 4.841 -2.645 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.519 4.830 -1.491 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.931 3.441 -2.821 1.00 0.00 C ATOM 0 H VAL A 76 -4.258 5.413 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.927 4.468 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.722 5.549 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.010 4.535 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.943 5.827 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.318 4.121 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.418 3.145 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.731 2.732 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.221 3.447 -3.648 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.382 7.666 -3.642 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.105 8.941 -3.399 1.00 0.00 C ATOM 1170 C VAL A 77 -8.074 9.219 -4.550 1.00 0.00 C ATOM 1171 O VAL A 77 -9.188 9.660 -4.347 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.088 10.074 -3.301 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.819 11.412 -3.320 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.304 9.944 -1.993 1.00 0.00 C ATOM 0 H VAL A 77 -5.374 7.757 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.672 8.869 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.400 10.020 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.095 12.223 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.381 11.506 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.505 11.464 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.577 10.753 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.992 10.000 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.784 8.986 -1.974 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.652 8.975 -5.759 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.538 9.233 -6.929 1.00 0.00 C ATOM 1186 C GLY A 78 -9.830 8.420 -6.808 1.00 0.00 C ATOM 1187 O GLY A 78 -10.883 8.851 -7.237 1.00 0.00 O ATOM 0 H GLY A 78 -6.729 8.607 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.773 10.296 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.020 8.970 -7.851 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.764 7.243 -6.246 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.995 6.410 -6.124 1.00 0.00 C ATOM 1193 C ALA A 79 -11.567 6.503 -4.709 1.00 0.00 C ATOM 1194 O ALA A 79 -12.751 6.707 -4.524 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.652 4.953 -6.438 1.00 0.00 C ATOM 0 H ALA A 79 -8.915 6.824 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.741 6.778 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.550 4.341 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.262 4.882 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.899 4.597 -5.735 1.00 0.00 H new ATOM 1201 N THR A 80 -10.742 6.346 -3.711 1.00 0.00 N ATOM 1202 CA THR A 80 -11.242 6.417 -2.307 1.00 0.00 C ATOM 1203 C THR A 80 -10.380 7.381 -1.492 1.00 0.00 C ATOM 1204 O THR A 80 -9.169 7.386 -1.598 1.00 0.00 O ATOM 1205 CB THR A 80 -11.181 5.026 -1.676 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.889 4.106 -2.494 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.812 5.067 -0.283 1.00 0.00 C ATOM 0 H THR A 80 -9.742 6.171 -3.806 1.00 0.00 H new ATOM 0 HA THR A 80 -12.271 6.775 -2.312 1.00 0.00 H new ATOM 0 HB THR A 80 -10.141 4.710 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.399 3.258 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.768 4.075 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.266 5.773 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.852 5.383 -0.364 1.00 0.00 H new ATOM 1215 N THR A 81 -10.995 8.190 -0.672 1.00 0.00 N ATOM 1216 CA THR A 81 -10.221 9.150 0.161 1.00 0.00 C ATOM 1217 C THR A 81 -10.659 9.013 1.625 1.00 0.00 C ATOM 1218 O THR A 81 -11.569 9.684 2.070 1.00 0.00 O ATOM 1219 CB THR A 81 -10.497 10.575 -0.325 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.712 11.490 0.427 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.980 10.900 -0.143 1.00 0.00 C ATOM 0 H THR A 81 -12.006 8.226 -0.544 1.00 0.00 H new ATOM 0 HA THR A 81 -9.155 8.938 0.078 1.00 0.00 H new ATOM 0 HB THR A 81 -10.238 10.656 -1.381 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.886 12.403 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.175 11.915 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.580 10.197 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.243 10.820 0.912 1.00 0.00 H new ATOM 1229 N PRO A 82 -10.019 8.145 2.371 1.00 0.00 N ATOM 1230 CA PRO A 82 -10.351 7.914 3.804 1.00 0.00 C ATOM 1231 C PRO A 82 -9.688 8.937 4.735 1.00 0.00 C ATOM 1232 O PRO A 82 -8.733 9.593 4.369 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.799 6.515 4.069 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.661 6.343 3.115 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.910 7.283 1.929 1.00 0.00 C ATOM 0 HA PRO A 82 -11.420 8.013 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.463 6.415 5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.564 5.755 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.714 6.580 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.596 5.309 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.021 7.869 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.173 6.727 1.030 1.00 0.00 H new ATOM 1243 N PRO A 83 -10.194 9.060 5.933 1.00 0.00 N ATOM 1244 CA PRO A 83 -9.651 10.009 6.951 1.00 0.00 C ATOM 1245 C PRO A 83 -8.184 9.717 7.279 1.00 0.00 C ATOM 1246 O PRO A 83 -7.729 8.594 7.184 1.00 0.00 O ATOM 1247 CB PRO A 83 -10.531 9.787 8.188 1.00 0.00 C ATOM 1248 CG PRO A 83 -11.242 8.492 7.961 1.00 0.00 C ATOM 1249 CD PRO A 83 -11.344 8.308 6.451 1.00 0.00 C ATOM 0 HA PRO A 83 -9.673 11.038 6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.927 9.747 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.241 10.605 8.314 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.696 7.666 8.416 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.232 8.509 8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.294 7.256 6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.285 8.697 6.062 1.00 0.00 H new ATOM 1257 N VAL A 84 -7.436 10.718 7.656 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.999 10.490 7.977 1.00 0.00 C ATOM 1259 C VAL A 84 -5.851 10.148 9.461 1.00 0.00 C ATOM 1260 O VAL A 84 -6.378 10.825 10.322 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.198 11.758 7.670 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -3.712 11.496 7.921 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -5.404 12.151 6.207 1.00 0.00 C ATOM 0 H VAL A 84 -7.757 11.681 7.755 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.623 9.664 7.373 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.540 12.567 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.141 12.399 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.563 11.216 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.371 10.686 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.834 13.054 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.063 11.342 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.462 12.338 6.026 1.00 0.00 H new ATOM 1273 N GLU A 85 -5.131 9.101 9.761 1.00 0.00 N ATOM 1274 CA GLU A 85 -4.932 8.702 11.181 1.00 0.00 C ATOM 1275 C GLU A 85 -3.437 8.521 11.446 1.00 0.00 C ATOM 1276 O GLU A 85 -2.642 8.430 10.531 1.00 0.00 O ATOM 1277 CB GLU A 85 -5.662 7.384 11.449 1.00 0.00 C ATOM 1278 CG GLU A 85 -7.158 7.565 11.183 1.00 0.00 C ATOM 1279 CD GLU A 85 -7.898 6.271 11.525 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -7.233 5.279 11.774 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -9.118 6.293 11.532 1.00 0.00 O ATOM 0 H GLU A 85 -4.669 8.502 9.077 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.330 9.475 11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.261 6.597 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.501 7.070 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.548 8.388 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.323 7.825 10.138 1.00 0.00 H new ATOM 1288 N ALA A 86 -3.042 8.466 12.688 1.00 0.00 N ATOM 1289 CA ALA A 86 -1.595 8.289 12.995 1.00 0.00 C ATOM 1290 C ALA A 86 -1.072 7.057 12.254 1.00 0.00 C ATOM 1291 O ALA A 86 -1.765 6.069 12.108 1.00 0.00 O ATOM 1292 CB ALA A 86 -1.411 8.095 14.502 1.00 0.00 C ATOM 0 H ALA A 86 -3.655 8.536 13.500 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.042 9.172 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.352 7.966 14.726 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.789 8.970 15.030 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.961 7.211 14.825 1.00 0.00 H new ATOM 1298 N LYS A 87 0.141 7.108 11.779 1.00 0.00 N ATOM 1299 CA LYS A 87 0.702 5.940 11.041 1.00 0.00 C ATOM 1300 C LYS A 87 0.666 4.704 11.942 1.00 0.00 C ATOM 1301 O LYS A 87 0.418 3.603 11.491 1.00 0.00 O ATOM 1302 CB LYS A 87 2.146 6.238 10.633 1.00 0.00 C ATOM 1303 CG LYS A 87 2.657 5.126 9.714 1.00 0.00 C ATOM 1304 CD LYS A 87 4.109 5.411 9.325 1.00 0.00 C ATOM 1305 CE LYS A 87 4.540 4.447 8.218 1.00 0.00 C ATOM 1306 NZ LYS A 87 6.018 4.257 8.273 1.00 0.00 N ATOM 0 H LYS A 87 0.769 7.907 11.869 1.00 0.00 H new ATOM 0 HA LYS A 87 0.107 5.754 10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.200 7.200 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.777 6.311 11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.587 4.162 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.036 5.064 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.210 6.441 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.758 5.298 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.035 3.489 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.249 4.841 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.292 3.480 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.492 5.133 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.302 4.026 9.246 1.00 0.00 H new ATOM 1320 N LEU A 88 0.908 4.876 13.212 1.00 0.00 N ATOM 1321 CA LEU A 88 0.883 3.710 14.139 1.00 0.00 C ATOM 1322 C LEU A 88 -0.500 3.599 14.784 1.00 0.00 C ATOM 1323 O LEU A 88 -1.122 4.590 15.112 1.00 0.00 O ATOM 1324 CB LEU A 88 1.940 3.902 15.231 1.00 0.00 C ATOM 1325 CG LEU A 88 3.309 4.118 14.586 1.00 0.00 C ATOM 1326 CD1 LEU A 88 4.375 4.225 15.678 1.00 0.00 C ATOM 1327 CD2 LEU A 88 3.636 2.932 13.674 1.00 0.00 C ATOM 0 H LEU A 88 1.122 5.773 13.648 1.00 0.00 H new ATOM 0 HA LEU A 88 1.098 2.799 13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.682 4.757 15.855 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.967 3.029 15.883 1.00 0.00 H new ATOM 0 HG LEU A 88 3.293 5.037 13.999 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.352 4.379 15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.144 5.067 16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.390 3.306 16.263 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.612 3.085 13.214 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.652 2.014 14.262 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.877 2.851 12.896 1.00 0.00 H new ATOM 1339 N GLN A 89 -0.984 2.402 14.966 1.00 0.00 N ATOM 1340 CA GLN A 89 -2.327 2.229 15.589 1.00 0.00 C ATOM 1341 C GLN A 89 -2.173 2.086 17.103 1.00 0.00 C ATOM 1342 O GLN A 89 -1.054 2.195 17.578 1.00 0.00 O ATOM 1343 CB GLN A 89 -2.993 0.973 15.021 1.00 0.00 C ATOM 1344 CG GLN A 89 -3.034 1.061 13.495 1.00 0.00 C ATOM 1345 CD GLN A 89 -3.803 2.315 13.076 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -4.893 2.562 13.554 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -3.279 3.124 12.197 1.00 0.00 N ATOM 1348 OXT GLN A 89 -3.176 1.869 17.764 1.00 0.00 O ATOM 0 H GLN A 89 -0.509 1.536 14.711 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.945 3.099 15.369 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.441 0.085 15.330 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.004 0.874 15.417 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.021 1.092 13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.513 0.173 13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.364 2.918 11.795 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.784 3.963 11.911 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 5.834 -8.045 -11.898 1.00 0.00 O HETATM 1359 O4 PN7 A 101 6.033 -7.204 -9.356 1.00 0.00 O HETATM 1360 C2 PN7 A 101 3.924 -6.587 -11.772 1.00 0.00 C HETATM 1361 C1 PN7 A 101 3.245 -7.718 -10.996 1.00 0.00 C HETATM 1362 P PN7 A 101 3.578 -9.841 -9.816 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.263 -10.902 -10.587 1.00 0.00 O HETATM 1364 O2P PN7 A 101 2.104 -9.716 -9.880 1.00 0.00 O HETATM 1365 O3P PN7 A 101 4.221 -8.423 -10.226 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 3.460 -5.238 -11.219 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 3.550 -6.684 -13.253 1.00 0.00 C HETATM 1368 C3 PN7 A 101 5.440 -6.707 -11.623 1.00 0.00 C HETATM 1369 C4 PN7 A 101 5.847 -6.345 -10.195 1.00 0.00 C HETATM 1370 N5 PN7 A 101 6.089 -5.088 -9.939 1.00 0.00 N HETATM 1371 C6 PN7 A 101 7.474 -4.647 -9.611 1.00 0.00 C HETATM 1372 C7 PN7 A 101 8.466 -5.345 -10.543 1.00 0.00 C HETATM 1373 C8 PN7 A 101 9.697 -4.457 -10.737 1.00 0.00 C HETATM 1374 O8 PN7 A 101 10.169 -3.826 -9.814 1.00 0.00 O HETATM 1375 N9 PN7 A 101 10.248 -4.443 -11.920 1.00 0.00 N HETATM 1376 C10 PN7 A 101 11.728 -4.328 -12.050 1.00 0.00 C HETATM 1377 C11 PN7 A 101 12.393 -5.552 -11.417 1.00 0.00 C HETATM 1378 S12 PN7 A 101 13.874 -5.990 -12.360 1.00 0.00 S