USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -64:sc= 1.28 USER MOD Set 1.2: A 71 SER OG : rot 53:sc= 0.742 USER MOD Single : A 1 MET CE :methyl 146:sc= 0 (180deg=-1.66!) USER MOD Single : A 1 MET N :NH3+ -135:sc= -0.204 (180deg=-2.21!) USER MOD Single : A 2 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.3) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.579 USER MOD Single : A 65 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.3) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 81 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.328 13.750 1.110 1.00 0.00 N ATOM 2 CA MET A 1 -3.778 13.410 1.164 1.00 0.00 C ATOM 3 C MET A 1 -4.193 13.215 2.622 1.00 0.00 C ATOM 4 O MET A 1 -3.722 13.899 3.509 1.00 0.00 O ATOM 5 CB MET A 1 -4.026 12.112 0.394 1.00 0.00 C ATOM 6 CG MET A 1 -3.539 12.271 -1.046 1.00 0.00 C ATOM 7 SD MET A 1 -4.008 10.812 -2.008 1.00 0.00 S ATOM 8 CE MET A 1 -3.185 11.283 -3.550 1.00 0.00 C ATOM 0 H1 MET A 1 -2.181 14.542 0.452 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.000 14.023 2.058 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.789 12.923 0.782 1.00 0.00 H new ATOM 0 HA MET A 1 -4.359 14.217 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.504 11.286 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.088 11.868 0.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.972 13.167 -1.490 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.457 12.398 -1.063 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.813 10.390 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.895 11.795 -4.200 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.351 11.949 -3.329 1.00 0.00 H new ATOM 20 N GLN A 2 -5.063 12.278 2.879 1.00 0.00 N ATOM 21 CA GLN A 2 -5.496 12.031 4.281 1.00 0.00 C ATOM 22 C GLN A 2 -4.682 10.868 4.848 1.00 0.00 C ATOM 23 O GLN A 2 -4.594 9.813 4.251 1.00 0.00 O ATOM 24 CB GLN A 2 -6.983 11.672 4.302 1.00 0.00 C ATOM 25 CG GLN A 2 -7.786 12.779 3.617 1.00 0.00 C ATOM 26 CD GLN A 2 -7.543 14.107 4.336 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.645 14.184 5.545 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.223 15.163 3.640 1.00 0.00 N ATOM 0 H GLN A 2 -5.492 11.673 2.179 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.336 12.926 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.146 10.722 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.323 11.545 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.492 12.861 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.848 12.535 3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.137 15.099 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.058 16.053 4.110 1.00 0.00 H new ATOM 37 N HIS A 3 -4.076 11.049 5.988 1.00 0.00 N ATOM 38 CA HIS A 3 -3.264 9.947 6.572 1.00 0.00 C ATOM 39 C HIS A 3 -2.279 9.445 5.515 1.00 0.00 C ATOM 40 O HIS A 3 -1.952 8.276 5.460 1.00 0.00 O ATOM 41 CB HIS A 3 -4.186 8.804 7.001 1.00 0.00 C ATOM 42 CG HIS A 3 -5.235 9.335 7.938 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.536 9.590 7.525 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.192 9.670 9.270 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.215 10.057 8.590 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.442 10.124 9.674 1.00 0.00 N ATOM 0 H HIS A 3 -4.108 11.908 6.538 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.717 10.310 7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.657 8.354 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.608 8.020 7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.322 9.593 9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.257 10.342 8.569 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.711 10.442 10.605 1.00 0.00 H new ATOM 55 N ALA A 4 -1.810 10.323 4.671 1.00 0.00 N ATOM 56 CA ALA A 4 -0.852 9.906 3.609 1.00 0.00 C ATOM 57 C ALA A 4 0.410 9.327 4.252 1.00 0.00 C ATOM 58 O ALA A 4 1.031 8.427 3.722 1.00 0.00 O ATOM 59 CB ALA A 4 -0.476 11.121 2.760 1.00 0.00 C ATOM 0 H ALA A 4 -2.050 11.314 4.672 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.318 9.148 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.225 10.818 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.373 11.535 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.012 11.877 3.393 1.00 0.00 H new ATOM 65 N SER A 5 0.800 9.839 5.388 1.00 0.00 N ATOM 66 CA SER A 5 2.026 9.319 6.057 1.00 0.00 C ATOM 67 C SER A 5 1.838 7.842 6.410 1.00 0.00 C ATOM 68 O SER A 5 2.771 7.065 6.379 1.00 0.00 O ATOM 69 CB SER A 5 2.288 10.118 7.334 1.00 0.00 C ATOM 70 OG SER A 5 1.264 9.840 8.280 1.00 0.00 O ATOM 0 H SER A 5 0.323 10.594 5.881 1.00 0.00 H new ATOM 0 HA SER A 5 2.875 9.422 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.262 9.856 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.313 11.185 7.111 1.00 0.00 H new ATOM 0 HG SER A 5 1.430 10.349 9.101 1.00 0.00 H new ATOM 76 N VAL A 6 0.640 7.446 6.742 1.00 0.00 N ATOM 77 CA VAL A 6 0.403 6.017 7.091 1.00 0.00 C ATOM 78 C VAL A 6 0.645 5.144 5.864 1.00 0.00 C ATOM 79 O VAL A 6 1.194 4.068 5.956 1.00 0.00 O ATOM 80 CB VAL A 6 -1.037 5.828 7.565 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.345 4.332 7.677 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.213 6.487 8.935 1.00 0.00 C ATOM 0 H VAL A 6 -0.182 8.048 6.787 1.00 0.00 H new ATOM 0 HA VAL A 6 1.087 5.729 7.889 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.718 6.288 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.372 4.196 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.219 3.861 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.664 3.873 8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.240 6.353 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.532 6.027 9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.993 7.552 8.858 1.00 0.00 H new ATOM 92 N ILE A 7 0.231 5.597 4.715 1.00 0.00 N ATOM 93 CA ILE A 7 0.430 4.786 3.482 1.00 0.00 C ATOM 94 C ILE A 7 1.923 4.527 3.274 1.00 0.00 C ATOM 95 O ILE A 7 2.344 3.405 3.074 1.00 0.00 O ATOM 96 CB ILE A 7 -0.137 5.550 2.286 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.625 5.816 2.524 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.033 4.714 1.016 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.158 6.753 1.441 1.00 0.00 C ATOM 0 H ILE A 7 -0.236 6.493 4.576 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.085 3.830 3.581 1.00 0.00 H new ATOM 0 HB ILE A 7 0.394 6.495 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.179 4.877 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.772 6.260 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.372 5.260 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.092 4.516 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.500 3.770 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.218 6.941 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.612 7.696 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.025 6.291 0.463 1.00 0.00 H new ATOM 111 N ALA A 8 2.729 5.550 3.334 1.00 0.00 N ATOM 112 CA ALA A 8 4.196 5.349 3.154 1.00 0.00 C ATOM 113 C ALA A 8 4.714 4.472 4.293 1.00 0.00 C ATOM 114 O ALA A 8 5.483 3.554 4.089 1.00 0.00 O ATOM 115 CB ALA A 8 4.907 6.703 3.184 1.00 0.00 C ATOM 0 H ALA A 8 2.438 6.514 3.499 1.00 0.00 H new ATOM 0 HA ALA A 8 4.390 4.867 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.979 6.554 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.526 7.332 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.723 7.189 4.142 1.00 0.00 H new ATOM 121 N GLN A 9 4.281 4.748 5.489 1.00 0.00 N ATOM 122 CA GLN A 9 4.719 3.935 6.657 1.00 0.00 C ATOM 123 C GLN A 9 4.197 2.509 6.495 1.00 0.00 C ATOM 124 O GLN A 9 4.858 1.548 6.825 1.00 0.00 O ATOM 125 CB GLN A 9 4.140 4.544 7.938 1.00 0.00 C ATOM 126 CG GLN A 9 4.584 3.724 9.152 1.00 0.00 C ATOM 127 CD GLN A 9 3.355 3.315 9.965 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.040 3.930 10.964 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.639 2.296 9.572 1.00 0.00 N ATOM 0 H GLN A 9 3.637 5.508 5.710 1.00 0.00 H new ATOM 0 HA GLN A 9 5.807 3.925 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.474 5.576 8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.052 4.566 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.130 2.838 8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.265 4.309 9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.904 1.780 8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.815 2.016 10.104 1.00 0.00 H new ATOM 138 N PHE A 10 3.005 2.375 5.995 1.00 0.00 N ATOM 139 CA PHE A 10 2.409 1.024 5.815 1.00 0.00 C ATOM 140 C PHE A 10 3.302 0.187 4.899 1.00 0.00 C ATOM 141 O PHE A 10 3.593 -0.960 5.174 1.00 0.00 O ATOM 142 CB PHE A 10 1.028 1.188 5.175 1.00 0.00 C ATOM 143 CG PHE A 10 0.282 -0.121 5.191 1.00 0.00 C ATOM 144 CD1 PHE A 10 0.411 -1.016 4.124 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.552 -0.433 6.271 1.00 0.00 C ATOM 146 CE1 PHE A 10 -0.293 -2.225 4.137 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.258 -1.639 6.283 1.00 0.00 C ATOM 148 CZ PHE A 10 -1.128 -2.536 5.217 1.00 0.00 C ATOM 0 H PHE A 10 2.411 3.150 5.700 1.00 0.00 H new ATOM 0 HA PHE A 10 2.320 0.521 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.458 1.945 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.135 1.540 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.054 -0.774 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.650 0.258 7.095 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.192 -2.918 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.904 -1.879 7.115 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.672 -3.469 5.227 1.00 0.00 H new ATOM 158 N VAL A 11 3.728 0.751 3.806 1.00 0.00 N ATOM 159 CA VAL A 11 4.593 -0.008 2.858 1.00 0.00 C ATOM 160 C VAL A 11 6.011 -0.162 3.420 1.00 0.00 C ATOM 161 O VAL A 11 6.569 -1.241 3.433 1.00 0.00 O ATOM 162 CB VAL A 11 4.658 0.751 1.537 1.00 0.00 C ATOM 163 CG1 VAL A 11 5.494 -0.041 0.534 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.241 0.943 0.997 1.00 0.00 C ATOM 0 H VAL A 11 3.515 1.708 3.525 1.00 0.00 H new ATOM 0 HA VAL A 11 4.169 -1.001 2.709 1.00 0.00 H new ATOM 0 HB VAL A 11 5.120 1.726 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.540 0.502 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.502 -0.174 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.037 -1.017 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.282 1.485 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.778 -0.031 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.651 1.511 1.716 1.00 0.00 H new ATOM 174 N VAL A 12 6.603 0.911 3.870 1.00 0.00 N ATOM 175 CA VAL A 12 7.993 0.833 4.412 1.00 0.00 C ATOM 176 C VAL A 12 8.025 -0.043 5.664 1.00 0.00 C ATOM 177 O VAL A 12 8.953 -0.795 5.885 1.00 0.00 O ATOM 178 CB VAL A 12 8.476 2.237 4.762 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.809 2.149 5.508 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.664 3.047 3.477 1.00 0.00 C ATOM 0 H VAL A 12 6.184 1.841 3.886 1.00 0.00 H new ATOM 0 HA VAL A 12 8.645 0.394 3.657 1.00 0.00 H new ATOM 0 HB VAL A 12 7.737 2.726 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.153 3.153 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.676 1.573 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.549 1.659 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.009 4.050 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.402 2.557 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.715 3.112 2.945 1.00 0.00 H new ATOM 190 N GLU A 13 7.022 0.052 6.486 1.00 0.00 N ATOM 191 CA GLU A 13 6.991 -0.770 7.728 1.00 0.00 C ATOM 192 C GLU A 13 7.081 -2.250 7.363 1.00 0.00 C ATOM 193 O GLU A 13 7.614 -3.053 8.101 1.00 0.00 O ATOM 194 CB GLU A 13 5.683 -0.505 8.472 1.00 0.00 C ATOM 195 CG GLU A 13 5.647 -1.310 9.770 1.00 0.00 C ATOM 196 CD GLU A 13 4.289 -1.122 10.446 1.00 0.00 C ATOM 197 OE1 GLU A 13 3.468 -0.408 9.893 1.00 0.00 O ATOM 198 OE2 GLU A 13 4.091 -1.694 11.505 1.00 0.00 O ATOM 0 H GLU A 13 6.218 0.665 6.353 1.00 0.00 H new ATOM 0 HA GLU A 13 7.835 -0.505 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.589 0.559 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.836 -0.777 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.819 -2.366 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.446 -0.983 10.436 1.00 0.00 H new ATOM 205 N GLU A 14 6.549 -2.614 6.236 1.00 0.00 N ATOM 206 CA GLU A 14 6.582 -4.041 5.818 1.00 0.00 C ATOM 207 C GLU A 14 8.018 -4.497 5.540 1.00 0.00 C ATOM 208 O GLU A 14 8.330 -5.664 5.665 1.00 0.00 O ATOM 209 CB GLU A 14 5.748 -4.209 4.549 1.00 0.00 C ATOM 210 CG GLU A 14 5.650 -5.694 4.196 1.00 0.00 C ATOM 211 CD GLU A 14 4.899 -5.857 2.874 1.00 0.00 C ATOM 212 OE1 GLU A 14 4.521 -4.847 2.301 1.00 0.00 O ATOM 213 OE2 GLU A 14 4.713 -6.988 2.456 1.00 0.00 O ATOM 0 H GLU A 14 6.089 -1.982 5.581 1.00 0.00 H new ATOM 0 HA GLU A 14 6.174 -4.650 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.752 -3.793 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.203 -3.658 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.648 -6.126 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.132 -6.234 4.989 1.00 0.00 H new ATOM 220 N PHE A 15 8.885 -3.604 5.128 1.00 0.00 N ATOM 221 CA PHE A 15 10.285 -4.026 4.806 1.00 0.00 C ATOM 222 C PHE A 15 11.313 -3.317 5.698 1.00 0.00 C ATOM 223 O PHE A 15 12.173 -3.955 6.272 1.00 0.00 O ATOM 224 CB PHE A 15 10.572 -3.690 3.342 1.00 0.00 C ATOM 225 CG PHE A 15 9.387 -4.096 2.505 1.00 0.00 C ATOM 226 CD1 PHE A 15 9.270 -5.410 2.039 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.397 -3.155 2.204 1.00 0.00 C ATOM 228 CE1 PHE A 15 8.161 -5.782 1.270 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.288 -3.525 1.438 1.00 0.00 C ATOM 230 CZ PHE A 15 7.170 -4.840 0.970 1.00 0.00 C ATOM 0 H PHE A 15 8.687 -2.611 5.002 1.00 0.00 H new ATOM 0 HA PHE A 15 10.371 -5.098 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.763 -2.623 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.468 -4.211 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.034 -6.136 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.490 -2.141 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.070 -6.796 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.523 -2.798 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.314 -5.127 0.377 1.00 0.00 H new ATOM 240 N LEU A 16 11.262 -2.011 5.798 1.00 0.00 N ATOM 241 CA LEU A 16 12.279 -1.292 6.632 1.00 0.00 C ATOM 242 C LEU A 16 11.609 -0.389 7.675 1.00 0.00 C ATOM 243 O LEU A 16 11.477 0.803 7.481 1.00 0.00 O ATOM 244 CB LEU A 16 13.152 -0.434 5.713 1.00 0.00 C ATOM 245 CG LEU A 16 14.492 -1.133 5.483 1.00 0.00 C ATOM 246 CD1 LEU A 16 15.279 -0.388 4.403 1.00 0.00 C ATOM 247 CD2 LEU A 16 15.295 -1.136 6.786 1.00 0.00 C ATOM 0 H LEU A 16 10.569 -1.416 5.344 1.00 0.00 H new ATOM 0 HA LEU A 16 12.881 -2.032 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.646 -0.272 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.314 0.547 6.159 1.00 0.00 H new ATOM 0 HG LEU A 16 14.315 -2.159 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.234 -0.887 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.708 -0.384 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.456 0.638 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.251 -1.634 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.471 -0.109 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.736 -1.667 7.557 1.00 0.00 H new ATOM 259 N PRO A 17 11.217 -0.950 8.787 1.00 0.00 N ATOM 260 CA PRO A 17 10.589 -0.197 9.900 1.00 0.00 C ATOM 261 C PRO A 17 11.631 0.370 10.873 1.00 0.00 C ATOM 262 O PRO A 17 11.323 1.191 11.714 1.00 0.00 O ATOM 263 CB PRO A 17 9.728 -1.243 10.611 1.00 0.00 C ATOM 264 CG PRO A 17 10.164 -2.586 10.099 1.00 0.00 C ATOM 265 CD PRO A 17 11.313 -2.369 9.111 1.00 0.00 C ATOM 0 HA PRO A 17 10.025 0.662 9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.858 -1.181 11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.670 -1.076 10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.486 -3.221 10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.333 -3.095 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.277 -2.615 9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.203 -2.992 8.223 1.00 0.00 H new ATOM 273 N ASP A 18 12.858 -0.071 10.775 1.00 0.00 N ATOM 274 CA ASP A 18 13.907 0.434 11.704 1.00 0.00 C ATOM 275 C ASP A 18 14.341 1.836 11.279 1.00 0.00 C ATOM 276 O ASP A 18 15.114 2.489 11.953 1.00 0.00 O ATOM 277 CB ASP A 18 15.108 -0.507 11.660 1.00 0.00 C ATOM 278 CG ASP A 18 14.721 -1.859 12.261 1.00 0.00 C ATOM 279 OD1 ASP A 18 13.668 -1.935 12.871 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.485 -2.797 12.100 1.00 0.00 O ATOM 0 H ASP A 18 13.177 -0.758 10.092 1.00 0.00 H new ATOM 0 HA ASP A 18 13.508 0.475 12.717 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.443 -0.637 10.631 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.941 -0.076 12.215 1.00 0.00 H new ATOM 285 N VAL A 19 13.832 2.309 10.176 1.00 0.00 N ATOM 286 CA VAL A 19 14.188 3.677 9.706 1.00 0.00 C ATOM 287 C VAL A 19 12.927 4.536 9.742 1.00 0.00 C ATOM 288 O VAL A 19 11.838 4.052 9.508 1.00 0.00 O ATOM 289 CB VAL A 19 14.724 3.611 8.274 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.597 3.206 7.324 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.260 4.986 7.869 1.00 0.00 C ATOM 0 H VAL A 19 13.180 1.803 9.576 1.00 0.00 H new ATOM 0 HA VAL A 19 14.957 4.106 10.348 1.00 0.00 H new ATOM 0 HB VAL A 19 15.526 2.875 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.980 3.159 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.212 2.228 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.794 3.942 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.642 4.942 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.456 5.720 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.064 5.277 8.545 1.00 0.00 H new ATOM 301 N ALA A 20 13.047 5.799 10.039 1.00 0.00 N ATOM 302 CA ALA A 20 11.826 6.644 10.088 1.00 0.00 C ATOM 303 C ALA A 20 11.180 6.655 8.692 1.00 0.00 C ATOM 304 O ALA A 20 11.771 7.142 7.748 1.00 0.00 O ATOM 305 CB ALA A 20 12.215 8.072 10.476 1.00 0.00 C ATOM 0 H ALA A 20 13.924 6.276 10.247 1.00 0.00 H new ATOM 0 HA ALA A 20 11.125 6.247 10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.321 8.695 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.694 8.065 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.907 8.474 9.736 1.00 0.00 H new ATOM 311 N PRO A 21 9.983 6.127 8.546 1.00 0.00 N ATOM 312 CA PRO A 21 9.300 6.101 7.225 1.00 0.00 C ATOM 313 C PRO A 21 8.993 7.512 6.717 1.00 0.00 C ATOM 314 O PRO A 21 9.029 7.778 5.532 1.00 0.00 O ATOM 315 CB PRO A 21 8.011 5.302 7.448 1.00 0.00 C ATOM 316 CG PRO A 21 7.884 5.054 8.919 1.00 0.00 C ATOM 317 CD PRO A 21 9.168 5.515 9.607 1.00 0.00 C ATOM 0 HA PRO A 21 9.933 5.647 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.148 5.855 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.045 4.359 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.026 5.593 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.712 3.995 9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.953 6.232 10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.689 4.676 10.068 1.00 0.00 H new ATOM 325 N ALA A 22 8.709 8.420 7.608 1.00 0.00 N ATOM 326 CA ALA A 22 8.419 9.818 7.184 1.00 0.00 C ATOM 327 C ALA A 22 9.722 10.479 6.734 1.00 0.00 C ATOM 328 O ALA A 22 9.722 11.496 6.070 1.00 0.00 O ATOM 329 CB ALA A 22 7.827 10.598 8.359 1.00 0.00 C ATOM 0 H ALA A 22 8.665 8.254 8.613 1.00 0.00 H new ATOM 0 HA ALA A 22 7.704 9.814 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.615 11.621 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.903 10.120 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.540 10.610 9.184 1.00 0.00 H new ATOM 335 N ASP A 23 10.835 9.900 7.095 1.00 0.00 N ATOM 336 CA ASP A 23 12.148 10.478 6.698 1.00 0.00 C ATOM 337 C ASP A 23 12.583 9.860 5.372 1.00 0.00 C ATOM 338 O ASP A 23 13.651 10.136 4.863 1.00 0.00 O ATOM 339 CB ASP A 23 13.192 10.168 7.774 1.00 0.00 C ATOM 340 CG ASP A 23 12.831 10.907 9.064 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.978 11.776 9.006 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.416 10.591 10.087 1.00 0.00 O ATOM 0 H ASP A 23 10.890 9.047 7.651 1.00 0.00 H new ATOM 0 HA ASP A 23 12.056 11.559 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.233 9.094 7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.182 10.472 7.433 1.00 0.00 H new ATOM 347 N VAL A 24 11.755 9.028 4.808 1.00 0.00 N ATOM 348 CA VAL A 24 12.103 8.391 3.512 1.00 0.00 C ATOM 349 C VAL A 24 11.366 9.126 2.397 1.00 0.00 C ATOM 350 O VAL A 24 10.215 9.489 2.539 1.00 0.00 O ATOM 351 CB VAL A 24 11.676 6.921 3.530 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.112 6.246 2.229 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.335 6.213 4.716 1.00 0.00 C ATOM 0 H VAL A 24 10.848 8.761 5.192 1.00 0.00 H new ATOM 0 HA VAL A 24 13.179 8.445 3.347 1.00 0.00 H new ATOM 0 HB VAL A 24 10.592 6.860 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.808 5.199 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.644 6.749 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.196 6.307 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.031 5.166 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.419 6.275 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.025 6.693 5.644 1.00 0.00 H new ATOM 363 N ASP A 25 12.014 9.362 1.294 1.00 0.00 N ATOM 364 CA ASP A 25 11.336 10.088 0.189 1.00 0.00 C ATOM 365 C ASP A 25 10.189 9.235 -0.348 1.00 0.00 C ATOM 366 O ASP A 25 10.376 8.386 -1.197 1.00 0.00 O ATOM 367 CB ASP A 25 12.339 10.361 -0.934 1.00 0.00 C ATOM 368 CG ASP A 25 11.680 11.229 -2.008 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.558 11.656 -1.790 1.00 0.00 O ATOM 370 OD2 ASP A 25 12.308 11.451 -3.030 1.00 0.00 O ATOM 0 H ASP A 25 12.978 9.085 1.110 1.00 0.00 H new ATOM 0 HA ASP A 25 10.943 11.034 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.220 10.864 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.679 9.421 -1.369 1.00 0.00 H new ATOM 375 N VAL A 26 8.997 9.458 0.139 1.00 0.00 N ATOM 376 CA VAL A 26 7.835 8.662 -0.347 1.00 0.00 C ATOM 377 C VAL A 26 7.649 8.897 -1.848 1.00 0.00 C ATOM 378 O VAL A 26 6.713 8.411 -2.452 1.00 0.00 O ATOM 379 CB VAL A 26 6.572 9.100 0.397 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.815 9.026 1.905 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.226 10.539 0.007 1.00 0.00 C ATOM 0 H VAL A 26 8.779 10.156 0.851 1.00 0.00 H new ATOM 0 HA VAL A 26 8.017 7.603 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 26 5.746 8.441 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.915 9.338 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.063 8.002 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.641 9.685 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.326 10.853 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.053 11.197 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.052 10.593 -1.068 1.00 0.00 H new ATOM 391 N ASP A 27 8.540 9.632 -2.457 1.00 0.00 N ATOM 392 CA ASP A 27 8.424 9.890 -3.919 1.00 0.00 C ATOM 393 C ASP A 27 9.182 8.800 -4.678 1.00 0.00 C ATOM 394 O ASP A 27 9.393 8.888 -5.871 1.00 0.00 O ATOM 395 CB ASP A 27 9.029 11.257 -4.249 1.00 0.00 C ATOM 396 CG ASP A 27 8.789 11.579 -5.725 1.00 0.00 C ATOM 397 OD1 ASP A 27 8.101 10.810 -6.374 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.298 12.590 -6.180 1.00 0.00 O ATOM 0 H ASP A 27 9.344 10.065 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 27 7.374 9.882 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.580 12.026 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.098 11.254 -4.036 1.00 0.00 H new ATOM 403 N LEU A 28 9.594 7.772 -3.988 1.00 0.00 N ATOM 404 CA LEU A 28 10.342 6.670 -4.656 1.00 0.00 C ATOM 405 C LEU A 28 9.352 5.656 -5.218 1.00 0.00 C ATOM 406 O LEU A 28 8.445 5.217 -4.540 1.00 0.00 O ATOM 407 CB LEU A 28 11.245 5.976 -3.632 1.00 0.00 C ATOM 408 CG LEU A 28 12.128 4.937 -4.333 1.00 0.00 C ATOM 409 CD1 LEU A 28 13.335 5.630 -4.970 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.613 3.910 -3.307 1.00 0.00 C ATOM 0 H LEU A 28 9.444 7.648 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 28 10.949 7.079 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.868 6.713 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.637 5.493 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 28 11.550 4.436 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.960 4.888 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.991 6.362 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.915 6.134 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.241 3.170 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.189 4.415 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.754 3.413 -2.855 1.00 0.00 H new ATOM 422 N ASP A 29 9.523 5.272 -6.451 1.00 0.00 N ATOM 423 CA ASP A 29 8.594 4.277 -7.042 1.00 0.00 C ATOM 424 C ASP A 29 8.830 2.930 -6.364 1.00 0.00 C ATOM 425 O ASP A 29 9.923 2.399 -6.383 1.00 0.00 O ATOM 426 CB ASP A 29 8.861 4.153 -8.543 1.00 0.00 C ATOM 427 CG ASP A 29 8.488 5.464 -9.239 1.00 0.00 C ATOM 428 OD1 ASP A 29 7.841 6.283 -8.608 1.00 0.00 O ATOM 429 OD2 ASP A 29 8.856 5.626 -10.391 1.00 0.00 O ATOM 0 H ASP A 29 10.262 5.603 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 29 7.562 4.594 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.912 3.922 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.280 3.330 -8.959 1.00 0.00 H new ATOM 434 N LEU A 30 7.820 2.375 -5.758 1.00 0.00 N ATOM 435 CA LEU A 30 8.000 1.067 -5.074 1.00 0.00 C ATOM 436 C LEU A 30 8.191 -0.028 -6.124 1.00 0.00 C ATOM 437 O LEU A 30 8.218 -1.202 -5.812 1.00 0.00 O ATOM 438 CB LEU A 30 6.765 0.754 -4.225 1.00 0.00 C ATOM 439 CG LEU A 30 5.515 0.825 -5.103 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.639 -0.403 -4.849 1.00 0.00 C ATOM 441 CD2 LEU A 30 4.725 2.090 -4.765 1.00 0.00 C ATOM 0 H LEU A 30 6.881 2.769 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 30 8.876 1.112 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.856 -0.238 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.686 1.464 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 30 5.812 0.849 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.749 -0.351 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.200 -1.306 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.344 -0.428 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.834 2.141 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.431 2.066 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.347 2.967 -4.947 1.00 0.00 H new ATOM 453 N VAL A 31 8.320 0.345 -7.370 1.00 0.00 N ATOM 454 CA VAL A 31 8.504 -0.682 -8.432 1.00 0.00 C ATOM 455 C VAL A 31 9.647 -1.611 -8.031 1.00 0.00 C ATOM 456 O VAL A 31 9.569 -2.812 -8.193 1.00 0.00 O ATOM 457 CB VAL A 31 8.836 0.005 -9.758 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.285 0.492 -9.735 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.650 -0.989 -10.906 1.00 0.00 C ATOM 0 H VAL A 31 8.306 1.312 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 31 7.587 -1.259 -8.551 1.00 0.00 H new ATOM 0 HB VAL A 31 8.171 0.857 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.520 0.981 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.418 1.200 -8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.952 -0.358 -9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.886 -0.501 -11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.315 -1.841 -10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.616 -1.335 -10.924 1.00 0.00 H new ATOM 469 N ASP A 32 10.697 -1.068 -7.483 1.00 0.00 N ATOM 470 CA ASP A 32 11.828 -1.933 -7.046 1.00 0.00 C ATOM 471 C ASP A 32 11.282 -2.935 -6.033 1.00 0.00 C ATOM 472 O ASP A 32 11.648 -4.094 -6.017 1.00 0.00 O ATOM 473 CB ASP A 32 12.913 -1.075 -6.392 1.00 0.00 C ATOM 474 CG ASP A 32 14.160 -1.927 -6.148 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.166 -3.069 -6.576 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.087 -1.423 -5.536 1.00 0.00 O ATOM 0 H ASP A 32 10.821 -0.069 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 32 12.265 -2.452 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.158 -0.228 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.549 -0.666 -5.450 1.00 0.00 H new ATOM 481 N ASN A 33 10.383 -2.488 -5.200 1.00 0.00 N ATOM 482 CA ASN A 33 9.767 -3.387 -4.191 1.00 0.00 C ATOM 483 C ASN A 33 8.542 -4.044 -4.818 1.00 0.00 C ATOM 484 O ASN A 33 7.696 -4.587 -4.138 1.00 0.00 O ATOM 485 CB ASN A 33 9.344 -2.578 -2.971 1.00 0.00 C ATOM 486 CG ASN A 33 10.559 -1.856 -2.396 1.00 0.00 C ATOM 487 OD1 ASN A 33 11.604 -2.447 -2.212 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.465 -0.591 -2.113 1.00 0.00 N ATOM 0 H ASN A 33 10.047 -1.525 -5.178 1.00 0.00 H new ATOM 0 HA ASN A 33 10.484 -4.146 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.576 -1.856 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.908 -3.235 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.270 -0.092 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.586 -0.098 -2.269 1.00 0.00 H new ATOM 495 N GLY A 34 8.440 -3.976 -6.117 1.00 0.00 N ATOM 496 CA GLY A 34 7.275 -4.579 -6.817 1.00 0.00 C ATOM 497 C GLY A 34 6.966 -5.946 -6.212 1.00 0.00 C ATOM 498 O GLY A 34 5.912 -6.505 -6.430 1.00 0.00 O ATOM 0 H GLY A 34 9.121 -3.524 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.407 -3.926 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.490 -4.681 -7.881 1.00 0.00 H new ATOM 502 N VAL A 35 7.869 -6.492 -5.449 1.00 0.00 N ATOM 503 CA VAL A 35 7.602 -7.823 -4.840 1.00 0.00 C ATOM 504 C VAL A 35 6.241 -7.778 -4.146 1.00 0.00 C ATOM 505 O VAL A 35 5.513 -8.750 -4.113 1.00 0.00 O ATOM 506 CB VAL A 35 8.689 -8.147 -3.817 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.410 -7.379 -2.528 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.686 -9.649 -3.526 1.00 0.00 C ATOM 0 H VAL A 35 8.773 -6.079 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 35 7.601 -8.592 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 35 9.662 -7.858 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.183 -7.607 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.410 -6.309 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.437 -7.672 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.462 -9.880 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.714 -9.940 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.880 -10.198 -4.447 1.00 0.00 H new ATOM 518 N ILE A 36 5.895 -6.649 -3.594 1.00 0.00 N ATOM 519 CA ILE A 36 4.583 -6.518 -2.901 1.00 0.00 C ATOM 520 C ILE A 36 3.444 -6.510 -3.922 1.00 0.00 C ATOM 521 O ILE A 36 2.311 -6.804 -3.604 1.00 0.00 O ATOM 522 CB ILE A 36 4.550 -5.193 -2.145 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.534 -5.280 -1.009 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.135 -4.075 -3.104 1.00 0.00 C ATOM 525 CD1 ILE A 36 3.445 -3.928 -0.299 1.00 0.00 C ATOM 0 H ILE A 36 6.469 -5.806 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 36 4.460 -7.359 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 36 5.539 -4.983 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.557 -5.561 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.829 -6.055 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.110 -3.126 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.853 -4.011 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.145 -4.290 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.720 -3.990 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.422 -3.665 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.130 -3.164 -1.010 1.00 0.00 H new ATOM 537 N ASP A 37 3.736 -6.130 -5.132 1.00 0.00 N ATOM 538 CA ASP A 37 2.675 -6.041 -6.179 1.00 0.00 C ATOM 539 C ASP A 37 1.903 -7.357 -6.320 1.00 0.00 C ATOM 540 O ASP A 37 0.721 -7.345 -6.597 1.00 0.00 O ATOM 541 CB ASP A 37 3.311 -5.689 -7.525 1.00 0.00 C ATOM 542 CG ASP A 37 3.920 -4.287 -7.450 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.605 -3.575 -6.512 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.692 -3.951 -8.333 1.00 0.00 O ATOM 0 H ASP A 37 4.672 -5.874 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 37 1.973 -5.265 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.081 -6.418 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.561 -5.730 -8.315 1.00 0.00 H new ATOM 549 N SER A 38 2.548 -8.484 -6.171 1.00 0.00 N ATOM 550 CA SER A 38 1.816 -9.778 -6.336 1.00 0.00 C ATOM 551 C SER A 38 1.761 -10.564 -5.023 1.00 0.00 C ATOM 552 O SER A 38 0.702 -10.807 -4.481 1.00 0.00 O ATOM 553 CB SER A 38 2.517 -10.624 -7.397 1.00 0.00 C ATOM 554 OG SER A 38 2.325 -10.022 -8.682 1.00 0.00 O ATOM 0 H SER A 38 3.539 -8.567 -5.945 1.00 0.00 H new ATOM 0 HA SER A 38 0.795 -9.552 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.581 -10.701 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.117 -11.638 -7.394 1.00 0.00 H new ATOM 0 HG SER A 38 2.775 -10.561 -9.366 1.00 0.00 H new ATOM 559 N LEU A 39 2.884 -10.993 -4.523 1.00 0.00 N ATOM 560 CA LEU A 39 2.877 -11.793 -3.267 1.00 0.00 C ATOM 561 C LEU A 39 2.307 -10.966 -2.119 1.00 0.00 C ATOM 562 O LEU A 39 1.402 -11.386 -1.425 1.00 0.00 O ATOM 563 CB LEU A 39 4.306 -12.222 -2.931 1.00 0.00 C ATOM 564 CG LEU A 39 4.297 -13.177 -1.735 1.00 0.00 C ATOM 565 CD1 LEU A 39 5.332 -14.281 -1.957 1.00 0.00 C ATOM 566 CD2 LEU A 39 4.650 -12.405 -0.460 1.00 0.00 C ATOM 0 H LEU A 39 3.805 -10.825 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 39 2.253 -12.675 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.761 -12.710 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.914 -11.346 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 39 3.305 -13.618 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.326 -14.962 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.086 -14.833 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.322 -13.836 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.643 -13.086 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.641 -11.964 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.917 -11.615 -0.298 1.00 0.00 H new ATOM 578 N GLY A 40 2.828 -9.795 -1.915 1.00 0.00 N ATOM 579 CA GLY A 40 2.319 -8.938 -0.814 1.00 0.00 C ATOM 580 C GLY A 40 0.926 -8.421 -1.162 1.00 0.00 C ATOM 581 O GLY A 40 0.056 -8.329 -0.318 1.00 0.00 O ATOM 0 H GLY A 40 3.587 -9.392 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.284 -9.507 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.997 -8.101 -0.650 1.00 0.00 H new ATOM 585 N LEU A 41 0.711 -8.068 -2.398 1.00 0.00 N ATOM 586 CA LEU A 41 -0.622 -7.539 -2.800 1.00 0.00 C ATOM 587 C LEU A 41 -1.700 -8.591 -2.548 1.00 0.00 C ATOM 588 O LEU A 41 -2.779 -8.287 -2.084 1.00 0.00 O ATOM 589 CB LEU A 41 -0.603 -7.196 -4.289 1.00 0.00 C ATOM 590 CG LEU A 41 -1.894 -6.466 -4.670 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.822 -5.006 -4.216 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.074 -6.515 -6.189 1.00 0.00 C ATOM 0 H LEU A 41 1.401 -8.123 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.841 -6.647 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.260 -6.570 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.501 -8.106 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.738 -6.952 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.744 -4.494 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.694 -4.967 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.977 -4.516 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.992 -5.996 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.225 -6.031 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.133 -7.553 -6.515 1.00 0.00 H new ATOM 604 N LEU A 42 -1.423 -9.824 -2.859 1.00 0.00 N ATOM 605 CA LEU A 42 -2.447 -10.888 -2.646 1.00 0.00 C ATOM 606 C LEU A 42 -2.778 -10.999 -1.159 1.00 0.00 C ATOM 607 O LEU A 42 -3.927 -11.081 -0.774 1.00 0.00 O ATOM 608 CB LEU A 42 -1.904 -12.227 -3.144 1.00 0.00 C ATOM 609 CG LEU A 42 -2.455 -12.528 -4.536 1.00 0.00 C ATOM 610 CD1 LEU A 42 -3.939 -12.885 -4.433 1.00 0.00 C ATOM 611 CD2 LEU A 42 -2.289 -11.301 -5.428 1.00 0.00 C ATOM 0 H LEU A 42 -0.537 -10.143 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.350 -10.630 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.815 -12.199 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.184 -13.022 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.908 -13.367 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.331 -13.100 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.059 -13.763 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.486 -12.047 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.683 -11.517 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.834 -10.461 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.232 -11.047 -5.504 1.00 0.00 H new ATOM 623 N LYS A 43 -1.782 -11.000 -0.320 1.00 0.00 N ATOM 624 CA LYS A 43 -2.044 -11.102 1.139 1.00 0.00 C ATOM 625 C LYS A 43 -2.774 -9.848 1.625 1.00 0.00 C ATOM 626 O LYS A 43 -3.694 -9.919 2.414 1.00 0.00 O ATOM 627 CB LYS A 43 -0.717 -11.242 1.879 1.00 0.00 C ATOM 628 CG LYS A 43 -0.054 -12.566 1.494 1.00 0.00 C ATOM 629 CD LYS A 43 1.212 -12.766 2.328 1.00 0.00 C ATOM 630 CE LYS A 43 1.933 -14.034 1.866 1.00 0.00 C ATOM 631 NZ LYS A 43 2.611 -14.672 3.030 1.00 0.00 N ATOM 0 H LYS A 43 -0.798 -10.935 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.667 -11.974 1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.060 -10.408 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.883 -11.206 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.745 -13.392 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.194 -12.565 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.869 -11.903 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.956 -12.845 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.221 -14.729 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.664 -13.789 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.101 -15.534 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.302 -14.009 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.904 -14.919 3.751 1.00 0.00 H new ATOM 645 N VAL A 44 -2.362 -8.698 1.164 1.00 0.00 N ATOM 646 CA VAL A 44 -3.022 -7.435 1.605 1.00 0.00 C ATOM 647 C VAL A 44 -4.440 -7.347 1.038 1.00 0.00 C ATOM 648 O VAL A 44 -5.370 -6.985 1.728 1.00 0.00 O ATOM 649 CB VAL A 44 -2.206 -6.243 1.112 1.00 0.00 C ATOM 650 CG1 VAL A 44 -2.945 -4.947 1.448 1.00 0.00 C ATOM 651 CG2 VAL A 44 -0.841 -6.248 1.802 1.00 0.00 C ATOM 0 H VAL A 44 -1.596 -8.578 0.501 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.077 -7.426 2.694 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.070 -6.312 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.363 -4.095 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.920 -4.947 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.079 -4.874 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.254 -5.398 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.978 -6.176 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.316 -7.173 1.564 1.00 0.00 H new ATOM 661 N ILE A 45 -4.613 -7.663 -0.212 1.00 0.00 N ATOM 662 CA ILE A 45 -5.970 -7.584 -0.815 1.00 0.00 C ATOM 663 C ILE A 45 -6.924 -8.502 -0.052 1.00 0.00 C ATOM 664 O ILE A 45 -7.999 -8.106 0.338 1.00 0.00 O ATOM 665 CB ILE A 45 -5.893 -8.015 -2.285 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.808 -6.776 -3.181 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.135 -8.825 -2.663 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.742 -5.816 -2.650 1.00 0.00 C ATOM 0 H ILE A 45 -3.874 -7.973 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.340 -6.561 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.005 -8.632 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.566 -7.072 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.775 -6.275 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.069 -9.125 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.196 -9.713 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.026 -8.215 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.689 -4.938 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.002 -5.508 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.774 -6.317 -2.640 1.00 0.00 H new ATOM 680 N ALA A 46 -6.545 -9.729 0.151 1.00 0.00 N ATOM 681 CA ALA A 46 -7.441 -10.676 0.872 1.00 0.00 C ATOM 682 C ALA A 46 -7.655 -10.225 2.321 1.00 0.00 C ATOM 683 O ALA A 46 -8.757 -10.255 2.831 1.00 0.00 O ATOM 684 CB ALA A 46 -6.795 -12.060 0.871 1.00 0.00 C ATOM 0 H ALA A 46 -5.653 -10.120 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.407 -10.702 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.441 -12.763 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.654 -12.395 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.829 -12.011 1.373 1.00 0.00 H new ATOM 690 N TRP A 47 -6.613 -9.824 2.992 1.00 0.00 N ATOM 691 CA TRP A 47 -6.758 -9.393 4.411 1.00 0.00 C ATOM 692 C TRP A 47 -7.346 -7.981 4.492 1.00 0.00 C ATOM 693 O TRP A 47 -8.255 -7.718 5.255 1.00 0.00 O ATOM 694 CB TRP A 47 -5.386 -9.424 5.080 1.00 0.00 C ATOM 695 CG TRP A 47 -5.360 -8.471 6.226 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.273 -8.411 7.221 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.379 -7.440 6.508 1.00 0.00 C ATOM 698 NE1 TRP A 47 -5.910 -7.403 8.096 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.747 -6.774 7.697 1.00 0.00 C ATOM 700 CE3 TRP A 47 -3.216 -7.028 5.846 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -3.982 -5.728 8.213 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -2.441 -5.976 6.358 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.823 -5.327 7.540 1.00 0.00 C ATOM 0 H TRP A 47 -5.665 -9.776 2.619 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.438 -10.073 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.164 -10.433 5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.613 -9.160 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.142 -9.045 7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.437 -7.155 8.933 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.913 -7.523 4.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.282 -5.232 9.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.546 -5.665 5.839 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.223 -4.518 7.931 1.00 0.00 H new ATOM 714 N LEU A 48 -6.820 -7.068 3.728 1.00 0.00 N ATOM 715 CA LEU A 48 -7.322 -5.666 3.771 1.00 0.00 C ATOM 716 C LEU A 48 -8.789 -5.599 3.330 1.00 0.00 C ATOM 717 O LEU A 48 -9.605 -4.950 3.956 1.00 0.00 O ATOM 718 CB LEU A 48 -6.476 -4.819 2.821 1.00 0.00 C ATOM 719 CG LEU A 48 -6.804 -3.345 3.006 1.00 0.00 C ATOM 720 CD1 LEU A 48 -5.962 -2.791 4.149 1.00 0.00 C ATOM 721 CD2 LEU A 48 -6.481 -2.590 1.717 1.00 0.00 C ATOM 0 H LEU A 48 -6.058 -7.233 3.070 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.250 -5.292 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.417 -4.991 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.666 -5.116 1.789 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.862 -3.225 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.190 -1.734 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.189 -3.336 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.905 -2.906 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.715 -1.533 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.422 -2.702 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.076 -2.996 0.899 1.00 0.00 H new ATOM 733 N GLU A 49 -9.130 -6.248 2.252 1.00 0.00 N ATOM 734 CA GLU A 49 -10.537 -6.201 1.770 1.00 0.00 C ATOM 735 C GLU A 49 -11.458 -6.931 2.747 1.00 0.00 C ATOM 736 O GLU A 49 -12.593 -6.546 2.947 1.00 0.00 O ATOM 737 CB GLU A 49 -10.620 -6.858 0.394 1.00 0.00 C ATOM 738 CG GLU A 49 -9.800 -6.045 -0.602 1.00 0.00 C ATOM 739 CD GLU A 49 -9.924 -6.657 -1.996 1.00 0.00 C ATOM 740 OE1 GLU A 49 -10.515 -7.719 -2.106 1.00 0.00 O ATOM 741 OE2 GLU A 49 -9.422 -6.055 -2.931 1.00 0.00 O ATOM 0 H GLU A 49 -8.495 -6.809 1.684 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.856 -5.161 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.245 -7.880 0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.658 -6.915 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.148 -5.012 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.754 -6.025 -0.295 1.00 0.00 H new ATOM 748 N ASP A 50 -10.987 -7.982 3.357 1.00 0.00 N ATOM 749 CA ASP A 50 -11.851 -8.727 4.313 1.00 0.00 C ATOM 750 C ASP A 50 -12.291 -7.790 5.437 1.00 0.00 C ATOM 751 O ASP A 50 -13.420 -7.828 5.885 1.00 0.00 O ATOM 752 CB ASP A 50 -11.069 -9.898 4.903 1.00 0.00 C ATOM 753 CG ASP A 50 -12.005 -10.766 5.747 1.00 0.00 C ATOM 754 OD1 ASP A 50 -12.675 -11.610 5.174 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.036 -10.572 6.951 1.00 0.00 O ATOM 0 H ASP A 50 -10.046 -8.356 3.236 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.729 -9.105 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.627 -10.493 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.248 -9.528 5.517 1.00 0.00 H new ATOM 760 N ARG A 51 -11.408 -6.949 5.898 1.00 0.00 N ATOM 761 CA ARG A 51 -11.776 -6.012 6.992 1.00 0.00 C ATOM 762 C ARG A 51 -12.852 -5.033 6.521 1.00 0.00 C ATOM 763 O ARG A 51 -13.748 -4.683 7.263 1.00 0.00 O ATOM 764 CB ARG A 51 -10.541 -5.226 7.425 1.00 0.00 C ATOM 765 CG ARG A 51 -9.557 -6.159 8.131 1.00 0.00 C ATOM 766 CD ARG A 51 -8.434 -5.333 8.762 1.00 0.00 C ATOM 767 NE ARG A 51 -7.781 -4.495 7.719 1.00 0.00 N ATOM 768 CZ ARG A 51 -6.989 -3.518 8.070 1.00 0.00 C ATOM 769 NH1 ARG A 51 -6.768 -3.281 9.334 1.00 0.00 N ATOM 770 NH2 ARG A 51 -6.419 -2.780 7.158 1.00 0.00 N ATOM 0 H ARG A 51 -10.448 -6.871 5.564 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.165 -6.591 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.065 -4.770 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.830 -4.414 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.073 -6.736 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.142 -6.873 7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.836 -4.699 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.700 -5.993 9.224 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.952 -4.684 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.214 -3.859 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.149 -2.518 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.592 -2.966 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.800 -2.017 7.433 1.00 0.00 H new ATOM 784 N PHE A 52 -12.767 -4.571 5.303 1.00 0.00 N ATOM 785 CA PHE A 52 -13.778 -3.601 4.809 1.00 0.00 C ATOM 786 C PHE A 52 -14.822 -4.318 3.950 1.00 0.00 C ATOM 787 O PHE A 52 -15.795 -3.730 3.523 1.00 0.00 O ATOM 788 CB PHE A 52 -13.064 -2.527 3.990 1.00 0.00 C ATOM 789 CG PHE A 52 -12.180 -1.719 4.908 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.720 -0.659 5.646 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.822 -2.037 5.031 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.902 0.085 6.505 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.004 -1.294 5.891 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.544 -0.234 6.628 1.00 0.00 C ATOM 0 H PHE A 52 -12.042 -4.824 4.632 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.292 -3.140 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.468 -2.988 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.792 -1.879 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.768 -0.415 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.405 -2.855 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.318 0.904 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.956 -1.539 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.913 0.338 7.292 1.00 0.00 H new ATOM 804 N GLY A 53 -14.639 -5.586 3.706 1.00 0.00 N ATOM 805 CA GLY A 53 -15.635 -6.335 2.888 1.00 0.00 C ATOM 806 C GLY A 53 -15.650 -5.788 1.460 1.00 0.00 C ATOM 807 O GLY A 53 -16.676 -5.759 0.809 1.00 0.00 O ATOM 0 H GLY A 53 -13.845 -6.135 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.386 -7.396 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.626 -6.244 3.332 1.00 0.00 H new ATOM 811 N ILE A 54 -14.525 -5.351 0.964 1.00 0.00 N ATOM 812 CA ILE A 54 -14.493 -4.805 -0.425 1.00 0.00 C ATOM 813 C ILE A 54 -14.279 -5.943 -1.425 1.00 0.00 C ATOM 814 O ILE A 54 -13.516 -6.857 -1.188 1.00 0.00 O ATOM 815 CB ILE A 54 -13.350 -3.796 -0.548 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.584 -2.644 0.430 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.302 -3.249 -1.976 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.327 -1.775 0.507 1.00 0.00 C ATOM 0 H ILE A 54 -13.631 -5.348 1.456 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.441 -4.312 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.405 -4.287 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.434 -2.044 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.829 -3.035 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.487 -2.530 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.138 -4.069 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.246 -2.757 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.494 -0.954 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.488 -2.379 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.102 -1.372 -0.481 1.00 0.00 H new ATOM 830 N ALA A 55 -14.949 -5.899 -2.544 1.00 0.00 N ATOM 831 CA ALA A 55 -14.778 -6.982 -3.554 1.00 0.00 C ATOM 832 C ALA A 55 -13.410 -6.838 -4.223 1.00 0.00 C ATOM 833 O ALA A 55 -13.021 -5.765 -4.639 1.00 0.00 O ATOM 834 CB ALA A 55 -15.878 -6.872 -4.612 1.00 0.00 C ATOM 0 H ALA A 55 -15.606 -5.162 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.844 -7.953 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.753 -7.664 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.853 -6.971 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.813 -5.902 -5.105 1.00 0.00 H new ATOM 840 N ALA A 56 -12.675 -7.911 -4.332 1.00 0.00 N ATOM 841 CA ALA A 56 -11.333 -7.833 -4.974 1.00 0.00 C ATOM 842 C ALA A 56 -11.491 -7.500 -6.459 1.00 0.00 C ATOM 843 O ALA A 56 -10.639 -6.873 -7.058 1.00 0.00 O ATOM 844 CB ALA A 56 -10.614 -9.175 -4.824 1.00 0.00 C ATOM 0 H ALA A 56 -12.946 -8.838 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.747 -7.052 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.632 -9.116 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.496 -9.408 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.201 -9.958 -5.305 1.00 0.00 H new ATOM 850 N ASP A 57 -12.571 -7.919 -7.060 1.00 0.00 N ATOM 851 CA ASP A 57 -12.778 -7.631 -8.508 1.00 0.00 C ATOM 852 C ASP A 57 -13.414 -6.249 -8.676 1.00 0.00 C ATOM 853 O ASP A 57 -13.683 -5.810 -9.776 1.00 0.00 O ATOM 854 CB ASP A 57 -13.700 -8.690 -9.110 1.00 0.00 C ATOM 855 CG ASP A 57 -12.995 -10.048 -9.098 1.00 0.00 C ATOM 856 OD1 ASP A 57 -11.798 -10.070 -8.863 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.664 -11.043 -9.323 1.00 0.00 O ATOM 0 H ASP A 57 -13.319 -8.448 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.815 -7.649 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.628 -8.745 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.968 -8.416 -10.131 1.00 0.00 H new ATOM 862 N ASP A 58 -13.657 -5.559 -7.596 1.00 0.00 N ATOM 863 CA ASP A 58 -14.276 -4.208 -7.701 1.00 0.00 C ATOM 864 C ASP A 58 -13.427 -3.325 -8.618 1.00 0.00 C ATOM 865 O ASP A 58 -13.940 -2.530 -9.379 1.00 0.00 O ATOM 866 CB ASP A 58 -14.355 -3.573 -6.314 1.00 0.00 C ATOM 867 CG ASP A 58 -15.193 -2.296 -6.382 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.749 -2.031 -7.435 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.265 -1.604 -5.380 1.00 0.00 O ATOM 0 H ASP A 58 -13.454 -5.872 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.280 -4.302 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.798 -4.274 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.353 -3.344 -5.950 1.00 0.00 H new ATOM 874 N VAL A 59 -12.131 -3.461 -8.549 1.00 0.00 N ATOM 875 CA VAL A 59 -11.243 -2.632 -9.414 1.00 0.00 C ATOM 876 C VAL A 59 -10.177 -3.524 -10.052 1.00 0.00 C ATOM 877 O VAL A 59 -9.712 -4.476 -9.456 1.00 0.00 O ATOM 878 CB VAL A 59 -10.565 -1.556 -8.564 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.632 -2.219 -7.549 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.752 -0.629 -9.471 1.00 0.00 C ATOM 0 H VAL A 59 -11.647 -4.112 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.836 -2.158 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.324 -0.978 -8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.149 -1.452 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.209 -2.881 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.873 -2.797 -8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.268 0.138 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.993 -1.208 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.415 -0.156 -10.196 1.00 0.00 H new ATOM 890 N GLU A 60 -9.783 -3.227 -11.261 1.00 0.00 N ATOM 891 CA GLU A 60 -8.745 -4.061 -11.930 1.00 0.00 C ATOM 892 C GLU A 60 -7.363 -3.669 -11.407 1.00 0.00 C ATOM 893 O GLU A 60 -7.070 -2.507 -11.210 1.00 0.00 O ATOM 894 CB GLU A 60 -8.801 -3.839 -13.441 1.00 0.00 C ATOM 895 CG GLU A 60 -7.815 -4.777 -14.126 1.00 0.00 C ATOM 896 CD GLU A 60 -7.812 -4.510 -15.632 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.529 -3.618 -16.057 1.00 0.00 O ATOM 898 OE2 GLU A 60 -7.093 -5.201 -16.336 1.00 0.00 O ATOM 0 H GLU A 60 -10.134 -2.445 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.932 -5.113 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.810 -4.022 -13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.558 -2.803 -13.677 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.815 -4.630 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.089 -5.814 -13.931 1.00 0.00 H new ATOM 905 N LEU A 61 -6.515 -4.632 -11.171 1.00 0.00 N ATOM 906 CA LEU A 61 -5.158 -4.318 -10.650 1.00 0.00 C ATOM 907 C LEU A 61 -4.134 -4.403 -11.785 1.00 0.00 C ATOM 908 O LEU A 61 -4.176 -5.297 -12.607 1.00 0.00 O ATOM 909 CB LEU A 61 -4.795 -5.326 -9.559 1.00 0.00 C ATOM 910 CG LEU A 61 -5.926 -5.393 -8.536 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.501 -6.267 -7.356 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.251 -3.983 -8.039 1.00 0.00 C ATOM 0 H LEU A 61 -6.705 -5.623 -11.317 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.151 -3.309 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.628 -6.310 -9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.865 -5.032 -9.071 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.811 -5.825 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.310 -6.313 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.275 -7.272 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.615 -5.840 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.059 -4.032 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.366 -3.548 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.560 -3.363 -8.880 1.00 0.00 H new ATOM 924 N SER A 62 -3.209 -3.484 -11.830 1.00 0.00 N ATOM 925 CA SER A 62 -2.176 -3.513 -12.901 1.00 0.00 C ATOM 926 C SER A 62 -0.842 -3.030 -12.326 1.00 0.00 C ATOM 927 O SER A 62 -0.808 -2.316 -11.343 1.00 0.00 O ATOM 928 CB SER A 62 -2.602 -2.594 -14.047 1.00 0.00 C ATOM 929 OG SER A 62 -2.611 -3.332 -15.262 1.00 0.00 O ATOM 0 H SER A 62 -3.125 -2.712 -11.168 1.00 0.00 H new ATOM 0 HA SER A 62 -2.066 -4.530 -13.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.592 -2.183 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.917 -1.750 -14.126 1.00 0.00 H new ATOM 0 HG SER A 62 -2.885 -2.746 -15.998 1.00 0.00 H new ATOM 935 N PRO A 63 0.248 -3.416 -12.933 1.00 0.00 N ATOM 936 CA PRO A 63 1.609 -3.015 -12.472 1.00 0.00 C ATOM 937 C PRO A 63 1.811 -1.499 -12.532 1.00 0.00 C ATOM 938 O PRO A 63 2.527 -0.925 -11.736 1.00 0.00 O ATOM 939 CB PRO A 63 2.561 -3.721 -13.444 1.00 0.00 C ATOM 940 CG PRO A 63 1.733 -4.095 -14.629 1.00 0.00 C ATOM 941 CD PRO A 63 0.303 -4.271 -14.125 1.00 0.00 C ATOM 0 HA PRO A 63 1.778 -3.292 -11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.382 -3.065 -13.733 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.005 -4.604 -12.984 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.781 -3.321 -15.395 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.100 -5.016 -15.083 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.427 -3.962 -14.874 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.089 -5.312 -13.882 1.00 0.00 H new ATOM 949 N GLU A 64 1.183 -0.851 -13.472 1.00 0.00 N ATOM 950 CA GLU A 64 1.332 0.626 -13.592 1.00 0.00 C ATOM 951 C GLU A 64 0.756 1.308 -12.349 1.00 0.00 C ATOM 952 O GLU A 64 1.213 2.354 -11.931 1.00 0.00 O ATOM 953 CB GLU A 64 0.581 1.112 -14.831 1.00 0.00 C ATOM 954 CG GLU A 64 0.850 2.598 -15.041 1.00 0.00 C ATOM 955 CD GLU A 64 0.019 3.107 -16.220 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.719 2.317 -16.785 1.00 0.00 O ATOM 957 OE2 GLU A 64 0.135 4.279 -16.539 1.00 0.00 O ATOM 0 H GLU A 64 0.571 -1.282 -14.165 1.00 0.00 H new ATOM 0 HA GLU A 64 2.389 0.875 -13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.900 0.547 -15.707 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.489 0.939 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.599 3.155 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.910 2.763 -15.232 1.00 0.00 H new ATOM 964 N HIS A 65 -0.258 0.730 -11.767 1.00 0.00 N ATOM 965 CA HIS A 65 -0.889 1.343 -10.561 1.00 0.00 C ATOM 966 C HIS A 65 0.058 1.283 -9.357 1.00 0.00 C ATOM 967 O HIS A 65 -0.038 2.081 -8.447 1.00 0.00 O ATOM 968 CB HIS A 65 -2.175 0.585 -10.228 1.00 0.00 C ATOM 969 CG HIS A 65 -2.820 1.201 -9.018 1.00 0.00 C ATOM 970 ND1 HIS A 65 -3.278 2.511 -9.010 1.00 0.00 N ATOM 971 CD2 HIS A 65 -3.088 0.702 -7.767 1.00 0.00 C ATOM 972 CE1 HIS A 65 -3.792 2.753 -7.790 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.701 1.684 -6.998 1.00 0.00 N ATOM 0 H HIS A 65 -0.680 -0.146 -12.076 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.110 2.388 -10.777 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.860 0.619 -11.075 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.953 -0.465 -10.040 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.858 -0.299 -7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.225 3.696 -7.490 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.015 1.604 -6.031 1.00 0.00 H new ATOM 982 N PHE A 66 0.952 0.335 -9.325 1.00 0.00 N ATOM 983 CA PHE A 66 1.872 0.225 -8.156 1.00 0.00 C ATOM 984 C PHE A 66 3.192 0.948 -8.440 1.00 0.00 C ATOM 985 O PHE A 66 4.134 0.845 -7.683 1.00 0.00 O ATOM 986 CB PHE A 66 2.149 -1.253 -7.873 1.00 0.00 C ATOM 987 CG PHE A 66 0.842 -1.955 -7.598 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.268 -1.896 -6.323 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.200 -2.658 -8.624 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.950 -2.541 -6.074 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.017 -3.302 -8.376 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.592 -3.244 -7.102 1.00 0.00 C ATOM 0 H PHE A 66 1.086 -0.366 -10.054 1.00 0.00 H new ATOM 0 HA PHE A 66 1.401 0.689 -7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.650 -1.712 -8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.817 -1.354 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.764 -1.354 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.644 -2.703 -9.607 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.394 -2.497 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.513 -3.844 -9.168 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.531 -3.741 -6.911 1.00 0.00 H new ATOM 1002 N ARG A 67 3.277 1.672 -9.519 1.00 0.00 N ATOM 1003 CA ARG A 67 4.549 2.388 -9.831 1.00 0.00 C ATOM 1004 C ARG A 67 4.901 3.364 -8.707 1.00 0.00 C ATOM 1005 O ARG A 67 6.054 3.531 -8.364 1.00 0.00 O ATOM 1006 CB ARG A 67 4.393 3.162 -11.141 1.00 0.00 C ATOM 1007 CG ARG A 67 4.273 2.177 -12.300 1.00 0.00 C ATOM 1008 CD ARG A 67 5.669 1.811 -12.806 1.00 0.00 C ATOM 1009 NE ARG A 67 6.267 2.983 -13.506 1.00 0.00 N ATOM 1010 CZ ARG A 67 5.802 3.356 -14.667 1.00 0.00 C ATOM 1011 NH1 ARG A 67 4.816 2.702 -15.216 1.00 0.00 N ATOM 1012 NH2 ARG A 67 6.325 4.383 -15.279 1.00 0.00 N ATOM 0 H ARG A 67 2.526 1.800 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 67 5.349 1.654 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.509 3.798 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.251 3.817 -11.293 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.746 1.280 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.686 2.618 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.303 1.510 -11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.610 0.960 -13.484 1.00 0.00 H new ATOM 0 HE ARG A 67 7.039 3.493 -13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.408 1.899 -14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.453 2.994 -16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.097 4.894 -14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.962 4.675 -16.186 1.00 0.00 H new ATOM 1026 N SER A 68 3.927 4.018 -8.136 1.00 0.00 N ATOM 1027 CA SER A 68 4.231 4.988 -7.042 1.00 0.00 C ATOM 1028 C SER A 68 3.214 4.850 -5.906 1.00 0.00 C ATOM 1029 O SER A 68 2.074 4.484 -6.114 1.00 0.00 O ATOM 1030 CB SER A 68 4.174 6.411 -7.599 1.00 0.00 C ATOM 1031 OG SER A 68 2.836 6.719 -7.965 1.00 0.00 O ATOM 0 H SER A 68 2.940 3.925 -8.376 1.00 0.00 H new ATOM 0 HA SER A 68 5.227 4.778 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.531 7.120 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.830 6.501 -8.465 1.00 0.00 H new ATOM 0 HG SER A 68 2.554 6.133 -8.698 1.00 0.00 H new ATOM 1037 N ILE A 69 3.627 5.152 -4.704 1.00 0.00 N ATOM 1038 CA ILE A 69 2.711 5.059 -3.537 1.00 0.00 C ATOM 1039 C ILE A 69 1.590 6.095 -3.668 1.00 0.00 C ATOM 1040 O ILE A 69 0.461 5.857 -3.287 1.00 0.00 O ATOM 1041 CB ILE A 69 3.509 5.341 -2.265 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.622 4.312 -2.113 1.00 0.00 C ATOM 1043 CG2 ILE A 69 2.592 5.251 -1.059 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.550 4.725 -0.969 1.00 0.00 C ATOM 0 H ILE A 69 4.573 5.463 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 69 2.272 4.062 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 69 3.939 6.340 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.197 3.328 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.187 4.232 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.162 5.452 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.792 5.985 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.162 4.251 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.346 3.988 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.986 5.700 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.981 4.782 -0.041 1.00 0.00 H new ATOM 1056 N ARG A 70 1.902 7.252 -4.187 1.00 0.00 N ATOM 1057 CA ARG A 70 0.868 8.319 -4.325 1.00 0.00 C ATOM 1058 C ARG A 70 -0.276 7.841 -5.220 1.00 0.00 C ATOM 1059 O ARG A 70 -1.433 8.092 -4.948 1.00 0.00 O ATOM 1060 CB ARG A 70 1.508 9.552 -4.959 1.00 0.00 C ATOM 1061 CG ARG A 70 0.510 10.711 -4.952 1.00 0.00 C ATOM 1062 CD ARG A 70 1.068 11.861 -5.789 1.00 0.00 C ATOM 1063 NE ARG A 70 2.467 12.138 -5.367 1.00 0.00 N ATOM 1064 CZ ARG A 70 2.968 13.337 -5.493 1.00 0.00 C ATOM 1065 NH1 ARG A 70 2.246 14.300 -5.999 1.00 0.00 N ATOM 1066 NH2 ARG A 70 4.195 13.573 -5.117 1.00 0.00 N ATOM 0 H ARG A 70 2.831 7.505 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 70 0.472 8.558 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.407 9.830 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.815 9.330 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.448 10.384 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.329 11.044 -3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.039 11.604 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.453 12.752 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 70 3.038 11.388 -4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.288 14.117 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.640 15.236 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.762 12.821 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.587 14.509 -5.215 1.00 0.00 H new ATOM 1080 N SER A 71 0.034 7.167 -6.290 1.00 0.00 N ATOM 1081 CA SER A 71 -1.042 6.692 -7.202 1.00 0.00 C ATOM 1082 C SER A 71 -2.024 5.809 -6.428 1.00 0.00 C ATOM 1083 O SER A 71 -3.223 5.915 -6.586 1.00 0.00 O ATOM 1084 CB SER A 71 -0.415 5.886 -8.337 1.00 0.00 C ATOM 1085 OG SER A 71 0.588 6.669 -8.971 1.00 0.00 O ATOM 0 H SER A 71 0.984 6.925 -6.573 1.00 0.00 H new ATOM 0 HA SER A 71 -1.578 7.548 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.019 4.965 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.179 5.599 -9.059 1.00 0.00 H new ATOM 0 HG SER A 71 1.221 6.997 -8.298 1.00 0.00 H new ATOM 1091 N ILE A 72 -1.528 4.943 -5.589 1.00 0.00 N ATOM 1092 CA ILE A 72 -2.430 4.062 -4.806 1.00 0.00 C ATOM 1093 C ILE A 72 -3.217 4.898 -3.795 1.00 0.00 C ATOM 1094 O ILE A 72 -4.383 4.661 -3.549 1.00 0.00 O ATOM 1095 CB ILE A 72 -1.588 3.025 -4.066 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.792 2.198 -5.079 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -2.504 2.107 -3.267 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.151 1.251 -4.335 1.00 0.00 C ATOM 0 H ILE A 72 -0.532 4.809 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.129 3.562 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.899 3.530 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.471 1.628 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.221 2.856 -5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.905 1.366 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.071 2.696 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.192 1.601 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.718 0.662 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.838 1.831 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.431 0.584 -3.699 1.00 0.00 H new ATOM 1110 N ASP A 73 -2.582 5.869 -3.199 1.00 0.00 N ATOM 1111 CA ASP A 73 -3.280 6.718 -2.192 1.00 0.00 C ATOM 1112 C ASP A 73 -4.491 7.409 -2.823 1.00 0.00 C ATOM 1113 O ASP A 73 -5.537 7.521 -2.214 1.00 0.00 O ATOM 1114 CB ASP A 73 -2.310 7.781 -1.672 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.967 8.561 -0.533 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -4.041 8.164 -0.112 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.384 9.541 -0.100 1.00 0.00 O ATOM 0 H ASP A 73 -1.606 6.112 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.621 6.086 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.392 7.310 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.032 8.460 -2.478 1.00 0.00 H new ATOM 1122 N ALA A 74 -4.360 7.885 -4.030 1.00 0.00 N ATOM 1123 CA ALA A 74 -5.508 8.581 -4.679 1.00 0.00 C ATOM 1124 C ALA A 74 -6.648 7.594 -4.930 1.00 0.00 C ATOM 1125 O ALA A 74 -7.800 7.888 -4.678 1.00 0.00 O ATOM 1126 CB ALA A 74 -5.053 9.185 -6.009 1.00 0.00 C ATOM 0 H ALA A 74 -3.512 7.823 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.863 9.373 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.892 9.694 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.250 9.900 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.692 8.392 -6.664 1.00 0.00 H new ATOM 1132 N PHE A 75 -6.343 6.429 -5.425 1.00 0.00 N ATOM 1133 CA PHE A 75 -7.418 5.436 -5.689 1.00 0.00 C ATOM 1134 C PHE A 75 -8.079 5.032 -4.371 1.00 0.00 C ATOM 1135 O PHE A 75 -9.288 4.969 -4.265 1.00 0.00 O ATOM 1136 CB PHE A 75 -6.815 4.204 -6.363 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.632 4.478 -7.837 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.807 5.528 -8.258 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.288 3.681 -8.783 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -5.638 5.780 -9.625 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.119 3.934 -10.149 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.294 4.983 -10.570 1.00 0.00 C ATOM 0 H PHE A 75 -5.399 6.122 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.169 5.877 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.857 3.958 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.467 3.342 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.301 6.143 -7.529 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.924 2.871 -8.459 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.001 6.590 -9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.625 3.319 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.164 5.178 -11.624 1.00 0.00 H new ATOM 1152 N VAL A 76 -7.297 4.760 -3.362 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.882 4.364 -2.058 1.00 0.00 C ATOM 1154 C VAL A 76 -8.631 5.551 -1.445 1.00 0.00 C ATOM 1155 O VAL A 76 -9.732 5.412 -0.954 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.757 3.926 -1.122 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -7.317 3.724 0.281 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -6.161 2.609 -1.625 1.00 0.00 C ATOM 0 H VAL A 76 -6.278 4.796 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.582 3.541 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.982 4.692 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.516 3.411 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.746 4.660 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.090 2.956 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.358 2.295 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.936 1.843 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.764 2.750 -2.630 1.00 0.00 H new ATOM 1168 N VAL A 77 -8.047 6.719 -1.472 1.00 0.00 N ATOM 1169 CA VAL A 77 -8.729 7.904 -0.891 1.00 0.00 C ATOM 1170 C VAL A 77 -10.021 8.183 -1.658 1.00 0.00 C ATOM 1171 O VAL A 77 -11.037 8.522 -1.084 1.00 0.00 O ATOM 1172 CB VAL A 77 -7.803 9.113 -0.995 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -8.588 10.379 -0.673 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -6.652 8.962 0.002 1.00 0.00 C ATOM 0 H VAL A 77 -7.127 6.901 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.969 7.711 0.155 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.402 9.178 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.929 11.244 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.410 10.488 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.987 10.312 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.991 9.825 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.053 8.898 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.091 8.055 -0.224 1.00 0.00 H new ATOM 1184 N GLY A 78 -9.988 8.052 -2.953 1.00 0.00 N ATOM 1185 CA GLY A 78 -11.208 8.318 -3.763 1.00 0.00 C ATOM 1186 C GLY A 78 -12.354 7.413 -3.305 1.00 0.00 C ATOM 1187 O GLY A 78 -13.507 7.792 -3.358 1.00 0.00 O ATOM 0 H GLY A 78 -9.166 7.771 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.499 9.364 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.998 8.145 -4.818 1.00 0.00 H new ATOM 1191 N ALA A 79 -12.055 6.216 -2.870 1.00 0.00 N ATOM 1192 CA ALA A 79 -13.144 5.296 -2.430 1.00 0.00 C ATOM 1193 C ALA A 79 -13.189 5.207 -0.903 1.00 0.00 C ATOM 1194 O ALA A 79 -14.230 5.364 -0.295 1.00 0.00 O ATOM 1195 CB ALA A 79 -12.891 3.902 -3.009 1.00 0.00 C ATOM 0 H ALA A 79 -11.110 5.838 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.098 5.684 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.684 3.226 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.877 3.957 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.931 3.529 -2.652 1.00 0.00 H new ATOM 1201 N THR A 80 -12.076 4.951 -0.277 1.00 0.00 N ATOM 1202 CA THR A 80 -12.069 4.846 1.210 1.00 0.00 C ATOM 1203 C THR A 80 -10.682 5.192 1.752 1.00 0.00 C ATOM 1204 O THR A 80 -9.676 4.754 1.231 1.00 0.00 O ATOM 1205 CB THR A 80 -12.432 3.419 1.619 1.00 0.00 C ATOM 1206 OG1 THR A 80 -13.675 3.061 1.031 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.540 3.332 3.142 1.00 0.00 C ATOM 0 H THR A 80 -11.172 4.810 -0.728 1.00 0.00 H new ATOM 0 HA THR A 80 -12.798 5.544 1.621 1.00 0.00 H new ATOM 0 HB THR A 80 -11.657 2.735 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.908 2.145 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.799 2.313 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.585 3.605 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.313 4.016 3.492 1.00 0.00 H new ATOM 1215 N THR A 81 -10.622 5.962 2.803 1.00 0.00 N ATOM 1216 CA THR A 81 -9.305 6.329 3.392 1.00 0.00 C ATOM 1217 C THR A 81 -9.244 5.809 4.833 1.00 0.00 C ATOM 1218 O THR A 81 -9.602 6.501 5.765 1.00 0.00 O ATOM 1219 CB THR A 81 -9.164 7.853 3.387 1.00 0.00 C ATOM 1220 OG1 THR A 81 -8.072 8.229 4.215 1.00 0.00 O ATOM 1221 CG2 THR A 81 -10.452 8.487 3.913 1.00 0.00 C ATOM 0 H THR A 81 -11.433 6.354 3.281 1.00 0.00 H new ATOM 0 HA THR A 81 -8.496 5.888 2.810 1.00 0.00 H new ATOM 0 HB THR A 81 -8.982 8.199 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.308 9.033 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.351 9.572 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.287 8.198 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.637 8.143 4.931 1.00 0.00 H new