USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= -0.336 K(o=-0.36,f=-2!) USER MOD Set 1.2: A 81 THR OG1 : rot -150:sc= -0.0193 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.309 (180deg=-1.84!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.159) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.407 F(o=-1.2,f=-0.41) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 33 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 18:sc= 0.0937 USER MOD Single : A 65 HIS : no HE2:sc= -7.39! C(o=-7.4!,f=-10!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.202 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.992 (180deg=-1.37!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.298 -5.663 3.985 1.00 0.00 N ATOM 2 CA MET A 1 12.583 -4.784 3.016 1.00 0.00 C ATOM 3 C MET A 1 12.668 -5.383 1.614 1.00 0.00 C ATOM 4 O MET A 1 13.649 -5.225 0.915 1.00 0.00 O ATOM 5 CB MET A 1 13.218 -3.395 3.020 1.00 0.00 C ATOM 6 CG MET A 1 12.854 -2.680 4.319 1.00 0.00 C ATOM 7 SD MET A 1 13.531 -1.002 4.299 1.00 0.00 S ATOM 8 CE MET A 1 15.273 -1.463 4.140 1.00 0.00 C ATOM 0 H1 MET A 1 13.056 -5.378 4.956 1.00 0.00 H new ATOM 0 H2 MET A 1 13.013 -6.651 3.833 1.00 0.00 H new ATOM 0 H3 MET A 1 14.324 -5.573 3.843 1.00 0.00 H new ATOM 0 HA MET A 1 11.536 -4.704 3.308 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.301 -3.477 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.867 -2.819 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.771 -2.645 4.435 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.248 -3.232 5.172 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.896 -0.698 4.604 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.443 -2.419 4.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.532 -1.550 3.085 1.00 0.00 H new ATOM 20 N GLN A 2 11.637 -6.060 1.196 1.00 0.00 N ATOM 21 CA GLN A 2 11.642 -6.665 -0.165 1.00 0.00 C ATOM 22 C GLN A 2 10.876 -5.748 -1.120 1.00 0.00 C ATOM 23 O GLN A 2 9.705 -5.482 -0.932 1.00 0.00 O ATOM 24 CB GLN A 2 10.965 -8.037 -0.112 1.00 0.00 C ATOM 25 CG GLN A 2 11.054 -8.706 -1.484 1.00 0.00 C ATOM 26 CD GLN A 2 10.424 -10.098 -1.415 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.078 -10.569 -0.349 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.262 -10.782 -2.514 1.00 0.00 N ATOM 0 H GLN A 2 10.789 -6.221 1.739 1.00 0.00 H new ATOM 0 HA GLN A 2 12.667 -6.784 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.446 -8.662 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.922 -7.928 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.541 -8.099 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.095 -8.782 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.552 -10.387 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.845 -11.712 -2.479 1.00 0.00 H new ATOM 37 N HIS A 3 11.527 -5.250 -2.137 1.00 0.00 N ATOM 38 CA HIS A 3 10.830 -4.341 -3.087 1.00 0.00 C ATOM 39 C HIS A 3 10.120 -3.241 -2.295 1.00 0.00 C ATOM 40 O HIS A 3 9.042 -2.806 -2.645 1.00 0.00 O ATOM 41 CB HIS A 3 9.803 -5.129 -3.904 1.00 0.00 C ATOM 42 CG HIS A 3 10.489 -6.264 -4.616 1.00 0.00 C ATOM 43 ND1 HIS A 3 10.213 -7.607 -4.683 1.00 0.00 N flip ATOM 44 CD2 HIS A 3 11.623 -6.070 -5.394 1.00 0.00 C flip ATOM 45 CE1 HIS A 3 11.156 -8.235 -5.488 1.00 0.00 C flip ATOM 46 NE2 HIS A 3 11.982 -7.268 -5.892 1.00 0.00 N flip ATOM 0 H HIS A 3 12.508 -5.434 -2.349 1.00 0.00 H new ATOM 0 HA HIS A 3 11.558 -3.897 -3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.022 -5.516 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.317 -4.473 -4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.125 -5.130 -5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.209 -9.285 -5.735 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.785 -7.418 -6.502 1.00 0.00 H new ATOM 55 N ALA A 4 10.718 -2.795 -1.223 1.00 0.00 N ATOM 56 CA ALA A 4 10.082 -1.730 -0.400 1.00 0.00 C ATOM 57 C ALA A 4 9.888 -0.469 -1.245 1.00 0.00 C ATOM 58 O ALA A 4 8.919 0.246 -1.093 1.00 0.00 O ATOM 59 CB ALA A 4 10.981 -1.404 0.794 1.00 0.00 C ATOM 0 H ALA A 4 11.621 -3.124 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 4 9.113 -2.081 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.516 -0.624 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.118 -2.299 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.950 -1.056 0.436 1.00 0.00 H new ATOM 65 N SER A 5 10.803 -0.188 -2.131 1.00 0.00 N ATOM 66 CA SER A 5 10.666 1.031 -2.976 1.00 0.00 C ATOM 67 C SER A 5 9.371 0.956 -3.783 1.00 0.00 C ATOM 68 O SER A 5 8.666 1.933 -3.934 1.00 0.00 O ATOM 69 CB SER A 5 11.858 1.128 -3.929 1.00 0.00 C ATOM 70 OG SER A 5 11.820 2.379 -4.602 1.00 0.00 O ATOM 0 H SER A 5 11.637 -0.748 -2.306 1.00 0.00 H new ATOM 0 HA SER A 5 10.640 1.913 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.791 1.029 -3.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.828 0.312 -4.651 1.00 0.00 H new ATOM 0 HG SER A 5 12.584 2.445 -5.213 1.00 0.00 H new ATOM 76 N VAL A 6 9.045 -0.197 -4.297 1.00 0.00 N ATOM 77 CA VAL A 6 7.788 -0.328 -5.085 1.00 0.00 C ATOM 78 C VAL A 6 6.596 -0.069 -4.172 1.00 0.00 C ATOM 79 O VAL A 6 5.637 0.561 -4.557 1.00 0.00 O ATOM 80 CB VAL A 6 7.686 -1.736 -5.667 1.00 0.00 C ATOM 81 CG1 VAL A 6 6.289 -1.947 -6.256 1.00 0.00 C ATOM 82 CG2 VAL A 6 8.735 -1.909 -6.767 1.00 0.00 C ATOM 0 H VAL A 6 9.593 -1.052 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 6 7.794 0.396 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 6 7.861 -2.468 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.217 -2.952 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.541 -1.824 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.112 -1.215 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.663 -2.914 -7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.560 -1.176 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.730 -1.760 -6.348 1.00 0.00 H new ATOM 92 N ILE A 7 6.647 -0.555 -2.967 1.00 0.00 N ATOM 93 CA ILE A 7 5.512 -0.340 -2.030 1.00 0.00 C ATOM 94 C ILE A 7 5.299 1.161 -1.821 1.00 0.00 C ATOM 95 O ILE A 7 4.202 1.665 -1.950 1.00 0.00 O ATOM 96 CB ILE A 7 5.837 -1.008 -0.696 1.00 0.00 C ATOM 97 CG1 ILE A 7 6.030 -2.509 -0.925 1.00 0.00 C ATOM 98 CG2 ILE A 7 4.685 -0.782 0.284 1.00 0.00 C ATOM 99 CD1 ILE A 7 6.538 -3.161 0.359 1.00 0.00 C ATOM 0 H ILE A 7 7.427 -1.093 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 7 4.602 -0.774 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 7 6.749 -0.579 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.088 -2.965 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.740 -2.675 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.918 -1.259 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.544 0.288 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.771 -1.213 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.675 -4.230 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.490 -2.712 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.812 -3.007 1.157 1.00 0.00 H new ATOM 111 N ALA A 8 6.343 1.880 -1.512 1.00 0.00 N ATOM 112 CA ALA A 8 6.198 3.350 -1.310 1.00 0.00 C ATOM 113 C ALA A 8 5.766 3.990 -2.627 1.00 0.00 C ATOM 114 O ALA A 8 4.872 4.811 -2.672 1.00 0.00 O ATOM 115 CB ALA A 8 7.540 3.940 -0.870 1.00 0.00 C ATOM 0 H ALA A 8 7.288 1.515 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 8 5.451 3.546 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.434 5.015 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.853 3.474 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.290 3.752 -1.638 1.00 0.00 H new ATOM 121 N GLN A 9 6.394 3.608 -3.701 1.00 0.00 N ATOM 122 CA GLN A 9 6.030 4.174 -5.028 1.00 0.00 C ATOM 123 C GLN A 9 4.607 3.747 -5.397 1.00 0.00 C ATOM 124 O GLN A 9 3.843 4.506 -5.953 1.00 0.00 O ATOM 125 CB GLN A 9 7.008 3.644 -6.079 1.00 0.00 C ATOM 126 CG GLN A 9 6.701 4.276 -7.438 1.00 0.00 C ATOM 127 CD GLN A 9 6.608 3.177 -8.496 1.00 0.00 C ATOM 128 OE1 GLN A 9 7.365 3.166 -9.446 1.00 0.00 O ATOM 129 NE2 GLN A 9 5.704 2.244 -8.369 1.00 0.00 N ATOM 0 H GLN A 9 7.150 2.923 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 9 6.080 5.262 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.032 3.873 -5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.931 2.559 -6.147 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.764 4.831 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.481 4.989 -7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.069 2.254 -7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.633 1.505 -9.068 1.00 0.00 H new ATOM 138 N PHE A 10 4.259 2.528 -5.103 1.00 0.00 N ATOM 139 CA PHE A 10 2.898 2.028 -5.447 1.00 0.00 C ATOM 140 C PHE A 10 1.837 2.867 -4.736 1.00 0.00 C ATOM 141 O PHE A 10 0.916 3.371 -5.348 1.00 0.00 O ATOM 142 CB PHE A 10 2.785 0.568 -4.997 1.00 0.00 C ATOM 143 CG PHE A 10 1.484 -0.027 -5.472 1.00 0.00 C ATOM 144 CD1 PHE A 10 1.405 -0.601 -6.745 1.00 0.00 C ATOM 145 CD2 PHE A 10 0.361 -0.018 -4.636 1.00 0.00 C ATOM 146 CE1 PHE A 10 0.202 -1.166 -7.184 1.00 0.00 C ATOM 147 CE2 PHE A 10 -0.842 -0.582 -5.075 1.00 0.00 C ATOM 148 CZ PHE A 10 -0.920 -1.157 -6.350 1.00 0.00 C ATOM 0 H PHE A 10 4.862 1.851 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 10 2.740 2.102 -6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.622 -0.007 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.844 0.510 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.272 -0.608 -7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.423 0.424 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.141 -1.609 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.709 -0.574 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.848 -1.594 -6.689 1.00 0.00 H new ATOM 158 N VAL A 11 1.960 3.025 -3.450 1.00 0.00 N ATOM 159 CA VAL A 11 0.959 3.837 -2.702 1.00 0.00 C ATOM 160 C VAL A 11 1.177 5.325 -2.990 1.00 0.00 C ATOM 161 O VAL A 11 0.240 6.082 -3.146 1.00 0.00 O ATOM 162 CB VAL A 11 1.101 3.574 -1.200 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.286 4.365 -0.647 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.179 4.010 -0.485 1.00 0.00 C ATOM 0 H VAL A 11 2.709 2.628 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.044 3.555 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 11 1.269 2.510 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.383 4.175 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.199 4.055 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.122 5.430 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.080 3.824 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.346 5.074 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.025 3.444 -0.875 1.00 0.00 H new ATOM 174 N VAL A 12 2.411 5.749 -3.047 1.00 0.00 N ATOM 175 CA VAL A 12 2.698 7.190 -3.309 1.00 0.00 C ATOM 176 C VAL A 12 2.265 7.569 -4.729 1.00 0.00 C ATOM 177 O VAL A 12 1.732 8.637 -4.957 1.00 0.00 O ATOM 178 CB VAL A 12 4.195 7.444 -3.146 1.00 0.00 C ATOM 179 CG1 VAL A 12 4.508 8.899 -3.489 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.607 7.163 -1.699 1.00 0.00 C ATOM 0 H VAL A 12 3.234 5.159 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 12 2.140 7.799 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 12 4.748 6.786 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.577 9.079 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.217 9.101 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.954 9.558 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.676 7.344 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.053 7.820 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.387 6.124 -1.453 1.00 0.00 H new ATOM 190 N GLU A 13 2.493 6.710 -5.683 1.00 0.00 N ATOM 191 CA GLU A 13 2.099 7.032 -7.087 1.00 0.00 C ATOM 192 C GLU A 13 0.608 7.358 -7.138 1.00 0.00 C ATOM 193 O GLU A 13 0.153 8.095 -7.989 1.00 0.00 O ATOM 194 CB GLU A 13 2.397 5.840 -7.995 1.00 0.00 C ATOM 195 CG GLU A 13 2.076 6.208 -9.441 1.00 0.00 C ATOM 196 CD GLU A 13 2.315 4.995 -10.342 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.069 5.108 -11.532 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.745 3.976 -9.827 1.00 0.00 O ATOM 0 H GLU A 13 2.934 5.800 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 13 2.670 7.895 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.445 5.554 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.804 4.978 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.040 6.536 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.700 7.042 -9.762 1.00 0.00 H new ATOM 205 N GLU A 14 -0.156 6.812 -6.236 1.00 0.00 N ATOM 206 CA GLU A 14 -1.617 7.088 -6.234 1.00 0.00 C ATOM 207 C GLU A 14 -1.863 8.571 -5.933 1.00 0.00 C ATOM 208 O GLU A 14 -2.809 9.161 -6.416 1.00 0.00 O ATOM 209 CB GLU A 14 -2.290 6.223 -5.169 1.00 0.00 C ATOM 210 CG GLU A 14 -3.803 6.430 -5.224 1.00 0.00 C ATOM 211 CD GLU A 14 -4.467 5.638 -4.098 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.683 5.680 -4.006 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.748 4.999 -3.346 1.00 0.00 O ATOM 0 H GLU A 14 0.169 6.186 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.036 6.851 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.050 5.173 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.912 6.485 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.040 7.490 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.190 6.105 -6.189 1.00 0.00 H new ATOM 220 N PHE A 15 -1.018 9.182 -5.145 1.00 0.00 N ATOM 221 CA PHE A 15 -1.209 10.628 -4.828 1.00 0.00 C ATOM 222 C PHE A 15 0.153 11.322 -4.714 1.00 0.00 C ATOM 223 O PHE A 15 0.390 12.097 -3.810 1.00 0.00 O ATOM 224 CB PHE A 15 -1.970 10.776 -3.506 1.00 0.00 C ATOM 225 CG PHE A 15 -1.412 9.818 -2.479 1.00 0.00 C ATOM 226 CD1 PHE A 15 -0.358 10.214 -1.647 1.00 0.00 C ATOM 227 CD2 PHE A 15 -1.954 8.534 -2.359 1.00 0.00 C ATOM 228 CE1 PHE A 15 0.154 9.323 -0.695 1.00 0.00 C ATOM 229 CE2 PHE A 15 -1.443 7.644 -1.408 1.00 0.00 C ATOM 230 CZ PHE A 15 -0.389 8.038 -0.577 1.00 0.00 C ATOM 0 H PHE A 15 -0.207 8.744 -4.709 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.784 11.092 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.888 11.800 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.030 10.577 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.060 11.206 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.767 8.229 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.967 9.627 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.862 6.653 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.006 7.350 0.156 1.00 0.00 H new ATOM 240 N LEU A 16 1.050 11.053 -5.624 1.00 0.00 N ATOM 241 CA LEU A 16 2.390 11.699 -5.561 1.00 0.00 C ATOM 242 C LEU A 16 2.316 13.123 -6.135 1.00 0.00 C ATOM 243 O LEU A 16 1.791 13.330 -7.211 1.00 0.00 O ATOM 244 CB LEU A 16 3.415 10.856 -6.346 1.00 0.00 C ATOM 245 CG LEU A 16 3.595 11.351 -7.793 1.00 0.00 C ATOM 246 CD1 LEU A 16 4.641 10.478 -8.488 1.00 0.00 C ATOM 247 CD2 LEU A 16 2.276 11.247 -8.568 1.00 0.00 C ATOM 0 H LEU A 16 0.912 10.414 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 16 2.709 11.760 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.376 10.886 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.092 9.815 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 16 3.913 12.393 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.777 10.820 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.588 10.550 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.305 9.441 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.424 11.602 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.947 10.208 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.517 11.858 -8.078 1.00 0.00 H new ATOM 259 N PRO A 17 2.848 14.102 -5.439 1.00 0.00 N ATOM 260 CA PRO A 17 2.843 15.507 -5.926 1.00 0.00 C ATOM 261 C PRO A 17 3.871 15.694 -7.050 1.00 0.00 C ATOM 262 O PRO A 17 4.157 14.772 -7.788 1.00 0.00 O ATOM 263 CB PRO A 17 3.219 16.321 -4.681 1.00 0.00 C ATOM 264 CG PRO A 17 4.026 15.394 -3.839 1.00 0.00 C ATOM 265 CD PRO A 17 3.512 13.986 -4.125 1.00 0.00 C ATOM 0 HA PRO A 17 1.886 15.812 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.791 17.209 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.330 16.663 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.086 15.476 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.919 15.638 -2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.327 13.263 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.816 13.652 -3.355 1.00 0.00 H new ATOM 273 N ASP A 18 4.431 16.860 -7.190 1.00 0.00 N ATOM 274 CA ASP A 18 5.435 17.072 -8.264 1.00 0.00 C ATOM 275 C ASP A 18 6.778 16.478 -7.827 1.00 0.00 C ATOM 276 O ASP A 18 7.803 16.733 -8.426 1.00 0.00 O ATOM 277 CB ASP A 18 5.590 18.572 -8.516 1.00 0.00 C ATOM 278 CG ASP A 18 6.139 19.256 -7.261 1.00 0.00 C ATOM 279 OD1 ASP A 18 6.581 18.552 -6.368 1.00 0.00 O ATOM 280 OD2 ASP A 18 6.110 20.475 -7.215 1.00 0.00 O ATOM 0 H ASP A 18 4.237 17.675 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 18 5.107 16.582 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.263 18.741 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.627 19.006 -8.786 1.00 0.00 H new ATOM 285 N VAL A 19 6.775 15.690 -6.782 1.00 0.00 N ATOM 286 CA VAL A 19 8.046 15.079 -6.296 1.00 0.00 C ATOM 287 C VAL A 19 7.995 13.562 -6.493 1.00 0.00 C ATOM 288 O VAL A 19 7.006 12.921 -6.199 1.00 0.00 O ATOM 289 CB VAL A 19 8.219 15.391 -4.808 1.00 0.00 C ATOM 290 CG1 VAL A 19 9.570 14.861 -4.328 1.00 0.00 C ATOM 291 CG2 VAL A 19 8.161 16.906 -4.597 1.00 0.00 C ATOM 0 H VAL A 19 5.944 15.444 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 19 8.885 15.489 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 19 7.421 14.913 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.692 15.084 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.612 13.782 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.370 15.338 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.284 17.131 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.960 17.383 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.198 17.284 -4.939 1.00 0.00 H new ATOM 301 N ALA A 20 9.055 12.980 -6.987 1.00 0.00 N ATOM 302 CA ALA A 20 9.063 11.505 -7.200 1.00 0.00 C ATOM 303 C ALA A 20 9.119 10.794 -5.836 1.00 0.00 C ATOM 304 O ALA A 20 9.794 11.251 -4.935 1.00 0.00 O ATOM 305 CB ALA A 20 10.295 11.119 -8.022 1.00 0.00 C ATOM 0 H ALA A 20 9.914 13.462 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 20 8.159 11.207 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.304 10.040 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.263 11.626 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.197 11.415 -7.486 1.00 0.00 H new ATOM 311 N PRO A 21 8.431 9.683 -5.676 1.00 0.00 N ATOM 312 CA PRO A 21 8.441 8.925 -4.389 1.00 0.00 C ATOM 313 C PRO A 21 9.864 8.709 -3.867 1.00 0.00 C ATOM 314 O PRO A 21 10.101 8.666 -2.676 1.00 0.00 O ATOM 315 CB PRO A 21 7.808 7.580 -4.743 1.00 0.00 C ATOM 316 CG PRO A 21 6.987 7.817 -5.967 1.00 0.00 C ATOM 317 CD PRO A 21 7.574 9.033 -6.685 1.00 0.00 C ATOM 0 HA PRO A 21 7.910 9.462 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.573 6.826 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.189 7.213 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.006 6.942 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.945 7.995 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.149 8.736 -7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.789 9.706 -7.031 1.00 0.00 H new ATOM 325 N ALA A 22 10.810 8.576 -4.753 1.00 0.00 N ATOM 326 CA ALA A 22 12.220 8.366 -4.319 1.00 0.00 C ATOM 327 C ALA A 22 12.722 9.617 -3.596 1.00 0.00 C ATOM 328 O ALA A 22 13.610 9.556 -2.769 1.00 0.00 O ATOM 329 CB ALA A 22 13.092 8.104 -5.549 1.00 0.00 C ATOM 0 H ALA A 22 10.668 8.604 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 22 12.272 7.512 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.125 7.950 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.733 7.215 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.040 8.961 -6.221 1.00 0.00 H new ATOM 335 N ASP A 23 12.157 10.752 -3.903 1.00 0.00 N ATOM 336 CA ASP A 23 12.595 12.011 -3.239 1.00 0.00 C ATOM 337 C ASP A 23 11.645 12.334 -2.088 1.00 0.00 C ATOM 338 O ASP A 23 11.756 13.359 -1.444 1.00 0.00 O ATOM 339 CB ASP A 23 12.583 13.156 -4.255 1.00 0.00 C ATOM 340 CG ASP A 23 13.667 12.916 -5.308 1.00 0.00 C ATOM 341 OD1 ASP A 23 14.494 12.046 -5.090 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.650 13.607 -6.313 1.00 0.00 O ATOM 0 H ASP A 23 11.409 10.862 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 23 13.606 11.886 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.605 13.222 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.756 14.106 -3.750 1.00 0.00 H new ATOM 347 N VAL A 24 10.716 11.460 -1.818 1.00 0.00 N ATOM 348 CA VAL A 24 9.762 11.704 -0.703 1.00 0.00 C ATOM 349 C VAL A 24 10.166 10.838 0.486 1.00 0.00 C ATOM 350 O VAL A 24 10.515 9.684 0.333 1.00 0.00 O ATOM 351 CB VAL A 24 8.343 11.337 -1.144 1.00 0.00 C ATOM 352 CG1 VAL A 24 7.367 11.603 0.003 1.00 0.00 C ATOM 353 CG2 VAL A 24 7.948 12.190 -2.351 1.00 0.00 C ATOM 0 H VAL A 24 10.577 10.585 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 24 9.785 12.757 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 24 8.310 10.282 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.356 11.342 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.646 10.999 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.402 12.659 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.938 11.929 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.982 13.245 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.642 12.005 -3.170 1.00 0.00 H new ATOM 363 N ASP A 25 10.131 11.380 1.668 1.00 0.00 N ATOM 364 CA ASP A 25 10.526 10.578 2.855 1.00 0.00 C ATOM 365 C ASP A 25 9.553 9.413 3.027 1.00 0.00 C ATOM 366 O ASP A 25 8.497 9.551 3.613 1.00 0.00 O ATOM 367 CB ASP A 25 10.490 11.460 4.105 1.00 0.00 C ATOM 368 CG ASP A 25 11.577 12.532 4.004 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.541 13.461 4.795 1.00 0.00 O ATOM 370 OD2 ASP A 25 12.429 12.404 3.140 1.00 0.00 O ATOM 0 H ASP A 25 9.847 12.340 1.863 1.00 0.00 H new ATOM 0 HA ASP A 25 11.536 10.193 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.511 11.928 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.645 10.852 4.997 1.00 0.00 H new ATOM 375 N VAL A 26 9.902 8.259 2.522 1.00 0.00 N ATOM 376 CA VAL A 26 8.998 7.083 2.662 1.00 0.00 C ATOM 377 C VAL A 26 8.770 6.799 4.147 1.00 0.00 C ATOM 378 O VAL A 26 8.062 5.882 4.514 1.00 0.00 O ATOM 379 CB VAL A 26 9.641 5.863 2.000 1.00 0.00 C ATOM 380 CG1 VAL A 26 10.010 6.200 0.554 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.906 5.474 2.769 1.00 0.00 C ATOM 0 H VAL A 26 10.772 8.082 2.020 1.00 0.00 H new ATOM 0 HA VAL A 26 8.044 7.294 2.179 1.00 0.00 H new ATOM 0 HB VAL A 26 8.936 5.032 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.468 5.330 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.111 6.479 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.714 7.032 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.365 4.605 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.609 6.307 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.646 5.233 3.800 1.00 0.00 H new ATOM 391 N ASP A 27 9.358 7.588 5.004 1.00 0.00 N ATOM 392 CA ASP A 27 9.172 7.376 6.466 1.00 0.00 C ATOM 393 C ASP A 27 7.930 8.143 6.925 1.00 0.00 C ATOM 394 O ASP A 27 7.678 8.295 8.103 1.00 0.00 O ATOM 395 CB ASP A 27 10.399 7.895 7.219 1.00 0.00 C ATOM 396 CG ASP A 27 11.614 7.034 6.870 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.718 7.444 7.188 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.420 5.979 6.289 1.00 0.00 O ATOM 0 H ASP A 27 9.960 8.372 4.753 1.00 0.00 H new ATOM 0 HA ASP A 27 9.048 6.313 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.589 8.935 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.218 7.868 8.293 1.00 0.00 H new ATOM 403 N LEU A 28 7.152 8.627 5.994 1.00 0.00 N ATOM 404 CA LEU A 28 5.925 9.387 6.364 1.00 0.00 C ATOM 405 C LEU A 28 4.796 8.409 6.667 1.00 0.00 C ATOM 406 O LEU A 28 4.564 7.465 5.938 1.00 0.00 O ATOM 407 CB LEU A 28 5.513 10.289 5.199 1.00 0.00 C ATOM 408 CG LEU A 28 4.334 11.168 5.622 1.00 0.00 C ATOM 409 CD1 LEU A 28 4.796 12.192 6.665 1.00 0.00 C ATOM 410 CD2 LEU A 28 3.785 11.905 4.398 1.00 0.00 C ATOM 0 H LEU A 28 7.314 8.528 4.992 1.00 0.00 H new ATOM 0 HA LEU A 28 6.127 9.997 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.353 10.913 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.236 9.683 4.337 1.00 0.00 H new ATOM 0 HG LEU A 28 3.555 10.540 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.952 12.815 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.187 11.670 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.577 12.820 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.945 12.532 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.568 12.529 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.450 11.180 3.656 1.00 0.00 H new ATOM 422 N ASP A 29 4.090 8.626 7.740 1.00 0.00 N ATOM 423 CA ASP A 29 2.979 7.707 8.084 1.00 0.00 C ATOM 424 C ASP A 29 1.880 7.847 7.035 1.00 0.00 C ATOM 425 O ASP A 29 1.352 8.918 6.815 1.00 0.00 O ATOM 426 CB ASP A 29 2.422 8.064 9.464 1.00 0.00 C ATOM 427 CG ASP A 29 3.483 7.784 10.530 1.00 0.00 C ATOM 428 OD1 ASP A 29 4.458 7.124 10.209 1.00 0.00 O ATOM 429 OD2 ASP A 29 3.303 8.235 11.650 1.00 0.00 O ATOM 0 H ASP A 29 4.236 9.398 8.390 1.00 0.00 H new ATOM 0 HA ASP A 29 3.343 6.680 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.133 9.115 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.524 7.481 9.667 1.00 0.00 H new ATOM 434 N LEU A 30 1.535 6.776 6.381 1.00 0.00 N ATOM 435 CA LEU A 30 0.475 6.857 5.346 1.00 0.00 C ATOM 436 C LEU A 30 -0.818 7.357 5.989 1.00 0.00 C ATOM 437 O LEU A 30 -1.750 7.741 5.309 1.00 0.00 O ATOM 438 CB LEU A 30 0.242 5.477 4.723 1.00 0.00 C ATOM 439 CG LEU A 30 1.536 4.976 4.079 1.00 0.00 C ATOM 440 CD1 LEU A 30 1.288 3.611 3.434 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.988 5.968 3.003 1.00 0.00 C ATOM 0 H LEU A 30 1.941 5.851 6.519 1.00 0.00 H new ATOM 0 HA LEU A 30 0.787 7.548 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.091 4.774 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.549 5.534 3.975 1.00 0.00 H new ATOM 0 HG LEU A 30 2.309 4.886 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.209 3.253 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.963 2.902 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.515 3.704 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.910 5.612 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.214 6.056 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.162 6.943 3.457 1.00 0.00 H new ATOM 453 N VAL A 31 -0.889 7.353 7.293 1.00 0.00 N ATOM 454 CA VAL A 31 -2.130 7.829 7.960 1.00 0.00 C ATOM 455 C VAL A 31 -2.508 9.190 7.386 1.00 0.00 C ATOM 456 O VAL A 31 -3.658 9.455 7.096 1.00 0.00 O ATOM 457 CB VAL A 31 -1.900 7.954 9.467 1.00 0.00 C ATOM 458 CG1 VAL A 31 -3.053 8.736 10.097 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.839 6.558 10.088 1.00 0.00 C ATOM 0 H VAL A 31 -0.146 7.043 7.919 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.935 7.115 7.785 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.962 8.478 9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.889 8.825 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.103 9.731 9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.991 8.211 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.675 6.644 11.162 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.779 6.037 9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.020 5.996 9.640 1.00 0.00 H new ATOM 469 N ASP A 32 -1.548 10.049 7.192 1.00 0.00 N ATOM 470 CA ASP A 32 -1.864 11.378 6.604 1.00 0.00 C ATOM 471 C ASP A 32 -2.578 11.131 5.281 1.00 0.00 C ATOM 472 O ASP A 32 -3.484 11.845 4.897 1.00 0.00 O ATOM 473 CB ASP A 32 -0.570 12.158 6.359 1.00 0.00 C ATOM 474 CG ASP A 32 -0.907 13.598 5.971 1.00 0.00 C ATOM 475 OD1 ASP A 32 -2.075 13.945 6.021 1.00 0.00 O ATOM 476 OD2 ASP A 32 0.008 14.328 5.627 1.00 0.00 O ATOM 0 H ASP A 32 -0.565 9.890 7.413 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.492 11.960 7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.049 12.147 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.009 11.683 5.567 1.00 0.00 H new ATOM 481 N ASN A 33 -2.182 10.095 4.593 1.00 0.00 N ATOM 482 CA ASN A 33 -2.828 9.748 3.302 1.00 0.00 C ATOM 483 C ASN A 33 -4.051 8.878 3.598 1.00 0.00 C ATOM 484 O ASN A 33 -4.517 8.134 2.758 1.00 0.00 O ATOM 485 CB ASN A 33 -1.844 8.970 2.430 1.00 0.00 C ATOM 486 CG ASN A 33 -0.524 9.738 2.336 1.00 0.00 C ATOM 487 OD1 ASN A 33 0.531 9.144 2.235 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.537 11.042 2.370 1.00 0.00 N ATOM 0 H ASN A 33 -1.429 9.469 4.877 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.128 10.653 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.671 7.980 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.262 8.823 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.338 11.562 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.422 11.541 2.455 1.00 0.00 H new ATOM 495 N GLY A 34 -4.556 8.957 4.802 1.00 0.00 N ATOM 496 CA GLY A 34 -5.736 8.133 5.188 1.00 0.00 C ATOM 497 C GLY A 34 -6.761 8.119 4.056 1.00 0.00 C ATOM 498 O GLY A 34 -7.646 7.290 4.021 1.00 0.00 O ATOM 0 H GLY A 34 -4.197 9.563 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.420 7.115 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.189 8.535 6.094 1.00 0.00 H new ATOM 502 N VAL A 35 -6.651 9.014 3.120 1.00 0.00 N ATOM 503 CA VAL A 35 -7.625 9.013 1.996 1.00 0.00 C ATOM 504 C VAL A 35 -7.650 7.611 1.386 1.00 0.00 C ATOM 505 O VAL A 35 -8.688 7.088 1.035 1.00 0.00 O ATOM 506 CB VAL A 35 -7.190 10.028 0.938 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.039 9.851 -0.322 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.379 11.446 1.483 1.00 0.00 C ATOM 0 H VAL A 35 -5.936 9.741 3.082 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.617 9.284 2.356 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.140 9.868 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.728 10.575 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.906 8.842 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.089 10.010 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.069 12.170 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.429 11.605 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.774 11.575 2.380 1.00 0.00 H new ATOM 518 N ILE A 36 -6.503 6.999 1.270 1.00 0.00 N ATOM 519 CA ILE A 36 -6.431 5.626 0.696 1.00 0.00 C ATOM 520 C ILE A 36 -7.023 4.617 1.682 1.00 0.00 C ATOM 521 O ILE A 36 -7.441 3.546 1.308 1.00 0.00 O ATOM 522 CB ILE A 36 -4.966 5.263 0.452 1.00 0.00 C ATOM 523 CG1 ILE A 36 -4.876 4.116 -0.554 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.333 4.820 1.772 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.472 3.513 -0.515 1.00 0.00 C ATOM 0 H ILE A 36 -5.606 7.395 1.551 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.992 5.600 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.440 6.132 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.618 3.353 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.100 4.479 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.288 4.560 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.393 5.633 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.866 3.951 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.407 2.695 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.740 4.279 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.266 3.135 0.486 1.00 0.00 H new ATOM 537 N ASP A 37 -7.035 4.937 2.944 1.00 0.00 N ATOM 538 CA ASP A 37 -7.571 3.975 3.951 1.00 0.00 C ATOM 539 C ASP A 37 -9.054 3.682 3.695 1.00 0.00 C ATOM 540 O ASP A 37 -9.547 2.632 4.053 1.00 0.00 O ATOM 541 CB ASP A 37 -7.399 4.546 5.361 1.00 0.00 C ATOM 542 CG ASP A 37 -5.910 4.646 5.693 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.117 4.115 4.934 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.588 5.248 6.704 1.00 0.00 O ATOM 0 H ASP A 37 -6.698 5.821 3.324 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.012 3.043 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.864 5.530 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.902 3.908 6.087 1.00 0.00 H new ATOM 549 N SER A 38 -9.780 4.596 3.105 1.00 0.00 N ATOM 550 CA SER A 38 -11.233 4.340 2.872 1.00 0.00 C ATOM 551 C SER A 38 -11.510 4.049 1.396 1.00 0.00 C ATOM 552 O SER A 38 -11.920 2.965 1.037 1.00 0.00 O ATOM 553 CB SER A 38 -12.034 5.570 3.300 1.00 0.00 C ATOM 554 OG SER A 38 -12.889 5.219 4.395 1.00 0.00 O ATOM 0 H SER A 38 -9.435 5.498 2.778 1.00 0.00 H new ATOM 0 HA SER A 38 -11.530 3.470 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.359 6.374 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.627 5.941 2.464 1.00 0.00 H new ATOM 559 N LEU A 39 -11.313 5.008 0.538 1.00 0.00 N ATOM 560 CA LEU A 39 -11.595 4.776 -0.907 1.00 0.00 C ATOM 561 C LEU A 39 -10.519 3.888 -1.529 1.00 0.00 C ATOM 562 O LEU A 39 -10.812 2.903 -2.178 1.00 0.00 O ATOM 563 CB LEU A 39 -11.634 6.122 -1.635 1.00 0.00 C ATOM 564 CG LEU A 39 -12.122 5.927 -3.074 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.021 7.099 -3.468 1.00 0.00 C ATOM 566 CD2 LEU A 39 -10.920 5.874 -4.022 1.00 0.00 C ATOM 0 H LEU A 39 -10.970 5.940 0.772 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.557 4.273 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.295 6.810 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.641 6.572 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.681 4.994 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.369 6.962 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.878 7.142 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.458 8.029 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.269 5.735 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.361 6.807 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.273 5.042 -3.743 1.00 0.00 H new ATOM 578 N GLY A 40 -9.280 4.233 -1.346 1.00 0.00 N ATOM 579 CA GLY A 40 -8.182 3.418 -1.935 1.00 0.00 C ATOM 580 C GLY A 40 -8.147 2.033 -1.290 1.00 0.00 C ATOM 581 O GLY A 40 -7.857 1.045 -1.935 1.00 0.00 O ATOM 0 H GLY A 40 -8.976 5.047 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.328 3.322 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.226 3.921 -1.786 1.00 0.00 H new ATOM 585 N LEU A 41 -8.427 1.952 -0.020 1.00 0.00 N ATOM 586 CA LEU A 41 -8.393 0.633 0.665 1.00 0.00 C ATOM 587 C LEU A 41 -9.358 -0.317 -0.030 1.00 0.00 C ATOM 588 O LEU A 41 -9.045 -1.463 -0.275 1.00 0.00 O ATOM 589 CB LEU A 41 -8.806 0.810 2.128 1.00 0.00 C ATOM 590 CG LEU A 41 -8.679 -0.526 2.866 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.174 -0.275 4.287 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.047 -1.213 2.936 1.00 0.00 C ATOM 0 H LEU A 41 -8.678 2.743 0.573 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.385 0.221 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.177 1.561 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.833 1.172 2.185 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.978 -1.165 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.083 -1.225 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.200 0.212 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.879 0.367 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.951 -2.163 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.749 -0.572 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.416 -1.393 1.926 1.00 0.00 H new ATOM 604 N LEU A 42 -10.523 0.147 -0.368 1.00 0.00 N ATOM 605 CA LEU A 42 -11.486 -0.745 -1.062 1.00 0.00 C ATOM 606 C LEU A 42 -10.869 -1.199 -2.380 1.00 0.00 C ATOM 607 O LEU A 42 -10.927 -2.358 -2.742 1.00 0.00 O ATOM 608 CB LEU A 42 -12.784 0.016 -1.336 1.00 0.00 C ATOM 609 CG LEU A 42 -13.477 0.348 -0.017 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.735 1.172 -0.296 1.00 0.00 C ATOM 611 CD2 LEU A 42 -13.867 -0.950 0.683 1.00 0.00 C ATOM 0 H LEU A 42 -10.849 1.098 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.707 -1.611 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.570 0.933 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.443 -0.585 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.802 0.921 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.231 1.410 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.459 2.096 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.413 0.598 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.363 -0.720 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.545 -1.518 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.972 -1.541 0.878 1.00 0.00 H new ATOM 623 N LYS A 43 -10.268 -0.292 -3.098 1.00 0.00 N ATOM 624 CA LYS A 43 -9.635 -0.665 -4.389 1.00 0.00 C ATOM 625 C LYS A 43 -8.392 -1.524 -4.130 1.00 0.00 C ATOM 626 O LYS A 43 -8.073 -2.416 -4.890 1.00 0.00 O ATOM 627 CB LYS A 43 -9.232 0.605 -5.133 1.00 0.00 C ATOM 628 CG LYS A 43 -10.484 1.399 -5.509 1.00 0.00 C ATOM 629 CD LYS A 43 -10.087 2.609 -6.357 1.00 0.00 C ATOM 630 CE LYS A 43 -11.323 3.466 -6.635 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.081 2.886 -7.780 1.00 0.00 N ATOM 0 H LYS A 43 -10.189 0.693 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.343 -1.236 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.578 1.213 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.668 0.349 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.177 0.765 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.003 1.727 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.332 3.199 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.642 2.278 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.957 3.508 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.026 4.490 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.922 3.468 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.474 2.868 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.377 1.917 -7.545 1.00 0.00 H new ATOM 645 N VAL A 44 -7.677 -1.244 -3.072 1.00 0.00 N ATOM 646 CA VAL A 44 -6.440 -2.024 -2.772 1.00 0.00 C ATOM 647 C VAL A 44 -6.778 -3.486 -2.468 1.00 0.00 C ATOM 648 O VAL A 44 -6.185 -4.392 -3.019 1.00 0.00 O ATOM 649 CB VAL A 44 -5.737 -1.400 -1.565 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.541 -2.263 -1.159 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.250 0.004 -1.929 1.00 0.00 C ATOM 0 H VAL A 44 -7.897 -0.507 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.786 -1.997 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.438 -1.341 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.044 -1.814 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.886 -3.263 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.840 -2.327 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.749 0.450 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.552 -0.058 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.102 0.622 -2.213 1.00 0.00 H new ATOM 661 N ILE A 45 -7.716 -3.731 -1.597 1.00 0.00 N ATOM 662 CA ILE A 45 -8.070 -5.139 -1.271 1.00 0.00 C ATOM 663 C ILE A 45 -8.551 -5.850 -2.535 1.00 0.00 C ATOM 664 O ILE A 45 -8.121 -6.944 -2.845 1.00 0.00 O ATOM 665 CB ILE A 45 -9.178 -5.155 -0.217 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.714 -4.428 1.054 1.00 0.00 C ATOM 667 CG2 ILE A 45 -9.524 -6.598 0.125 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.382 -5.007 1.536 1.00 0.00 C ATOM 0 H ILE A 45 -8.251 -3.020 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.193 -5.654 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.056 -4.646 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.604 -3.362 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.467 -4.529 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.314 -6.615 0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.866 -7.113 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.640 -7.101 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.063 -4.484 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.505 -6.068 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.628 -4.882 0.758 1.00 0.00 H new ATOM 680 N ALA A 46 -9.435 -5.239 -3.272 1.00 0.00 N ATOM 681 CA ALA A 46 -9.934 -5.882 -4.518 1.00 0.00 C ATOM 682 C ALA A 46 -8.791 -5.977 -5.528 1.00 0.00 C ATOM 683 O ALA A 46 -8.713 -6.902 -6.312 1.00 0.00 O ATOM 684 CB ALA A 46 -11.070 -5.042 -5.107 1.00 0.00 C ATOM 0 H ALA A 46 -9.833 -4.323 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.305 -6.881 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.435 -5.513 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.883 -4.972 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.702 -4.042 -5.337 1.00 0.00 H new ATOM 690 N TRP A 47 -7.899 -5.023 -5.515 1.00 0.00 N ATOM 691 CA TRP A 47 -6.759 -5.051 -6.470 1.00 0.00 C ATOM 692 C TRP A 47 -5.776 -6.151 -6.075 1.00 0.00 C ATOM 693 O TRP A 47 -5.330 -6.927 -6.896 1.00 0.00 O ATOM 694 CB TRP A 47 -6.040 -3.701 -6.439 1.00 0.00 C ATOM 695 CG TRP A 47 -4.720 -3.831 -7.124 1.00 0.00 C ATOM 696 CD1 TRP A 47 -4.546 -3.972 -8.458 1.00 0.00 C ATOM 697 CD2 TRP A 47 -3.388 -3.838 -6.534 1.00 0.00 C ATOM 698 NE1 TRP A 47 -3.192 -4.067 -8.722 1.00 0.00 N ATOM 699 CE2 TRP A 47 -2.437 -3.987 -7.569 1.00 0.00 C ATOM 700 CE3 TRP A 47 -2.918 -3.728 -5.212 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -1.068 -4.030 -7.305 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -1.540 -3.770 -4.943 1.00 0.00 C ATOM 703 CH2 TRP A 47 -0.617 -3.920 -5.988 1.00 0.00 C ATOM 0 H TRP A 47 -7.913 -4.224 -4.881 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.137 -5.248 -7.473 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.646 -2.941 -6.933 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.898 -3.375 -5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.335 -4.005 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.799 -4.182 -9.656 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.620 -3.611 -4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.362 -4.148 -8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.189 -3.686 -3.925 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.441 -3.950 -5.775 1.00 0.00 H new ATOM 714 N LEU A 48 -5.424 -6.214 -4.823 1.00 0.00 N ATOM 715 CA LEU A 48 -4.459 -7.250 -4.370 1.00 0.00 C ATOM 716 C LEU A 48 -5.021 -8.641 -4.664 1.00 0.00 C ATOM 717 O LEU A 48 -4.328 -9.508 -5.160 1.00 0.00 O ATOM 718 CB LEU A 48 -4.241 -7.099 -2.866 1.00 0.00 C ATOM 719 CG LEU A 48 -3.114 -8.019 -2.416 1.00 0.00 C ATOM 720 CD1 LEU A 48 -1.784 -7.492 -2.948 1.00 0.00 C ATOM 721 CD2 LEU A 48 -3.073 -8.060 -0.887 1.00 0.00 C ATOM 0 H LEU A 48 -5.765 -5.590 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.513 -7.127 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.996 -6.064 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.158 -7.342 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.286 -9.023 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.977 -8.150 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.814 -7.461 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.610 -6.488 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.267 -8.718 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.900 -7.056 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.023 -8.436 -0.507 1.00 0.00 H new ATOM 733 N GLU A 49 -6.271 -8.862 -4.366 1.00 0.00 N ATOM 734 CA GLU A 49 -6.873 -10.197 -4.634 1.00 0.00 C ATOM 735 C GLU A 49 -6.991 -10.426 -6.141 1.00 0.00 C ATOM 736 O GLU A 49 -6.845 -11.531 -6.621 1.00 0.00 O ATOM 737 CB GLU A 49 -8.256 -10.285 -3.970 1.00 0.00 C ATOM 738 CG GLU A 49 -8.967 -11.567 -4.404 1.00 0.00 C ATOM 739 CD GLU A 49 -10.321 -11.664 -3.699 1.00 0.00 C ATOM 740 OE1 GLU A 49 -10.995 -12.663 -3.888 1.00 0.00 O ATOM 741 OE2 GLU A 49 -10.661 -10.737 -2.982 1.00 0.00 O ATOM 0 H GLU A 49 -6.901 -8.177 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.230 -10.971 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.149 -10.269 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.855 -9.417 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.107 -11.570 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.355 -12.435 -4.160 1.00 0.00 H new ATOM 748 N ASP A 50 -7.258 -9.400 -6.892 1.00 0.00 N ATOM 749 CA ASP A 50 -7.391 -9.581 -8.363 1.00 0.00 C ATOM 750 C ASP A 50 -6.092 -10.149 -8.941 1.00 0.00 C ATOM 751 O ASP A 50 -6.111 -10.965 -9.842 1.00 0.00 O ATOM 752 CB ASP A 50 -7.690 -8.233 -9.015 1.00 0.00 C ATOM 753 CG ASP A 50 -8.061 -8.445 -10.484 1.00 0.00 C ATOM 754 OD1 ASP A 50 -8.169 -9.591 -10.886 1.00 0.00 O ATOM 755 OD2 ASP A 50 -8.228 -7.458 -11.181 1.00 0.00 O ATOM 0 H ASP A 50 -7.390 -8.446 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.206 -10.276 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.507 -7.737 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.820 -7.580 -8.940 1.00 0.00 H new ATOM 760 N ARG A 51 -4.965 -9.713 -8.449 1.00 0.00 N ATOM 761 CA ARG A 51 -3.675 -10.218 -8.991 1.00 0.00 C ATOM 762 C ARG A 51 -3.242 -11.517 -8.295 1.00 0.00 C ATOM 763 O ARG A 51 -2.857 -12.472 -8.941 1.00 0.00 O ATOM 764 CB ARG A 51 -2.599 -9.153 -8.785 1.00 0.00 C ATOM 765 CG ARG A 51 -2.921 -7.926 -9.638 1.00 0.00 C ATOM 766 CD ARG A 51 -1.766 -6.928 -9.550 1.00 0.00 C ATOM 767 NE ARG A 51 -1.463 -6.641 -8.119 1.00 0.00 N ATOM 768 CZ ARG A 51 -0.552 -7.331 -7.484 1.00 0.00 C ATOM 769 NH1 ARG A 51 -0.285 -7.060 -6.236 1.00 0.00 N ATOM 770 NH2 ARG A 51 0.086 -8.297 -8.089 1.00 0.00 N ATOM 0 H ARG A 51 -4.883 -9.030 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.808 -10.431 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.547 -8.873 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.622 -9.552 -9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.082 -8.222 -10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.844 -7.461 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.883 -7.333 -10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.028 -6.006 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.970 -5.902 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.787 -6.311 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.425 -7.597 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.125 -8.517 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.796 -8.832 -7.588 1.00 0.00 H new ATOM 784 N PHE A 52 -3.265 -11.558 -6.988 1.00 0.00 N ATOM 785 CA PHE A 52 -2.812 -12.794 -6.278 1.00 0.00 C ATOM 786 C PHE A 52 -3.984 -13.756 -6.034 1.00 0.00 C ATOM 787 O PHE A 52 -3.792 -14.946 -5.891 1.00 0.00 O ATOM 788 CB PHE A 52 -2.179 -12.405 -4.941 1.00 0.00 C ATOM 789 CG PHE A 52 -1.187 -13.467 -4.524 1.00 0.00 C ATOM 790 CD1 PHE A 52 -1.636 -14.685 -3.994 1.00 0.00 C ATOM 791 CD2 PHE A 52 0.186 -13.233 -4.666 1.00 0.00 C ATOM 792 CE1 PHE A 52 -0.713 -15.663 -3.608 1.00 0.00 C ATOM 793 CE2 PHE A 52 1.108 -14.212 -4.280 1.00 0.00 C ATOM 794 CZ PHE A 52 0.659 -15.427 -3.751 1.00 0.00 C ATOM 0 H PHE A 52 -3.575 -10.796 -6.385 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.080 -13.304 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.679 -11.441 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.951 -12.295 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.695 -14.868 -3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.534 -12.296 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.060 -16.601 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.167 -14.030 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.371 -16.182 -3.453 1.00 0.00 H new ATOM 804 N GLY A 53 -5.192 -13.264 -5.985 1.00 0.00 N ATOM 805 CA GLY A 53 -6.353 -14.178 -5.749 1.00 0.00 C ATOM 806 C GLY A 53 -6.471 -14.524 -4.259 1.00 0.00 C ATOM 807 O GLY A 53 -6.592 -15.675 -3.887 1.00 0.00 O ATOM 0 H GLY A 53 -5.427 -12.278 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.272 -13.703 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.229 -15.091 -6.332 1.00 0.00 H new ATOM 811 N ILE A 54 -6.451 -13.534 -3.404 1.00 0.00 N ATOM 812 CA ILE A 54 -6.578 -13.794 -1.940 1.00 0.00 C ATOM 813 C ILE A 54 -7.956 -13.330 -1.464 1.00 0.00 C ATOM 814 O ILE A 54 -8.462 -12.315 -1.891 1.00 0.00 O ATOM 815 CB ILE A 54 -5.498 -13.013 -1.191 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.124 -13.465 -1.676 1.00 0.00 C ATOM 817 CG2 ILE A 54 -5.621 -13.277 0.310 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.074 -12.432 -1.269 1.00 0.00 C ATOM 0 H ILE A 54 -6.352 -12.552 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.460 -14.860 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.622 -11.947 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.878 -14.437 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.130 -13.585 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.850 -12.719 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.604 -12.958 0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.497 -14.342 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.092 -12.755 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.318 -11.469 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.061 -12.334 -0.183 1.00 0.00 H new ATOM 830 N ALA A 55 -8.571 -14.065 -0.584 1.00 0.00 N ATOM 831 CA ALA A 55 -9.917 -13.658 -0.095 1.00 0.00 C ATOM 832 C ALA A 55 -9.814 -12.299 0.599 1.00 0.00 C ATOM 833 O ALA A 55 -8.861 -12.017 1.297 1.00 0.00 O ATOM 834 CB ALA A 55 -10.436 -14.701 0.897 1.00 0.00 C ATOM 0 H ALA A 55 -8.203 -14.927 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.605 -13.586 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.421 -14.404 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.507 -15.670 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.750 -14.774 1.741 1.00 0.00 H new ATOM 840 N ALA A 56 -10.789 -11.454 0.407 1.00 0.00 N ATOM 841 CA ALA A 56 -10.748 -10.111 1.048 1.00 0.00 C ATOM 842 C ALA A 56 -10.757 -10.269 2.571 1.00 0.00 C ATOM 843 O ALA A 56 -10.228 -9.447 3.293 1.00 0.00 O ATOM 844 CB ALA A 56 -11.973 -9.303 0.613 1.00 0.00 C ATOM 0 H ALA A 56 -11.613 -11.636 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.840 -9.591 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.945 -8.319 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.968 -9.189 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.880 -9.825 0.919 1.00 0.00 H new ATOM 850 N ASP A 57 -11.358 -11.318 3.063 1.00 0.00 N ATOM 851 CA ASP A 57 -11.407 -11.529 4.539 1.00 0.00 C ATOM 852 C ASP A 57 -10.108 -12.183 5.013 1.00 0.00 C ATOM 853 O ASP A 57 -9.934 -12.463 6.182 1.00 0.00 O ATOM 854 CB ASP A 57 -12.586 -12.436 4.883 1.00 0.00 C ATOM 855 CG ASP A 57 -13.898 -11.715 4.566 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.853 -10.516 4.344 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.924 -12.373 4.551 1.00 0.00 O ATOM 0 H ASP A 57 -11.818 -12.039 2.507 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.527 -10.566 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.522 -13.364 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.554 -12.707 5.938 1.00 0.00 H new ATOM 862 N ASP A 58 -9.193 -12.427 4.117 1.00 0.00 N ATOM 863 CA ASP A 58 -7.906 -13.061 4.518 1.00 0.00 C ATOM 864 C ASP A 58 -7.249 -12.234 5.625 1.00 0.00 C ATOM 865 O ASP A 58 -6.560 -12.759 6.477 1.00 0.00 O ATOM 866 CB ASP A 58 -6.970 -13.136 3.313 1.00 0.00 C ATOM 867 CG ASP A 58 -5.752 -13.991 3.667 1.00 0.00 C ATOM 868 OD1 ASP A 58 -4.850 -14.070 2.851 1.00 0.00 O ATOM 869 OD2 ASP A 58 -5.742 -14.552 4.751 1.00 0.00 O ATOM 0 H ASP A 58 -9.281 -12.215 3.123 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.102 -14.068 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.493 -13.565 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.653 -12.135 3.022 1.00 0.00 H new ATOM 874 N VAL A 59 -7.455 -10.944 5.613 1.00 0.00 N ATOM 875 CA VAL A 59 -6.840 -10.074 6.658 1.00 0.00 C ATOM 876 C VAL A 59 -7.942 -9.305 7.393 1.00 0.00 C ATOM 877 O VAL A 59 -9.042 -9.156 6.901 1.00 0.00 O ATOM 878 CB VAL A 59 -5.884 -9.081 5.996 1.00 0.00 C ATOM 879 CG1 VAL A 59 -4.829 -9.846 5.193 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.672 -8.165 5.057 1.00 0.00 C ATOM 0 H VAL A 59 -8.024 -10.454 4.923 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.290 -10.692 7.368 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.393 -8.482 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.147 -9.138 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.268 -10.500 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.319 -10.445 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.992 -7.457 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.162 -8.765 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.425 -7.620 5.627 1.00 0.00 H new ATOM 890 N GLU A 60 -7.653 -8.823 8.571 1.00 0.00 N ATOM 891 CA GLU A 60 -8.683 -8.072 9.342 1.00 0.00 C ATOM 892 C GLU A 60 -8.462 -6.567 9.180 1.00 0.00 C ATOM 893 O GLU A 60 -7.456 -6.127 8.659 1.00 0.00 O ATOM 894 CB GLU A 60 -8.590 -8.443 10.819 1.00 0.00 C ATOM 895 CG GLU A 60 -8.940 -9.919 10.994 1.00 0.00 C ATOM 896 CD GLU A 60 -10.386 -10.166 10.556 1.00 0.00 C ATOM 897 OE1 GLU A 60 -11.137 -9.207 10.491 1.00 0.00 O ATOM 898 OE2 GLU A 60 -10.716 -11.311 10.294 1.00 0.00 O ATOM 0 H GLU A 60 -6.748 -8.917 9.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.671 -8.333 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.584 -8.250 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.271 -7.825 11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.262 -10.535 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.811 -10.211 12.036 1.00 0.00 H new ATOM 905 N LEU A 61 -9.403 -5.777 9.618 1.00 0.00 N ATOM 906 CA LEU A 61 -9.262 -4.300 9.484 1.00 0.00 C ATOM 907 C LEU A 61 -8.290 -3.787 10.552 1.00 0.00 C ATOM 908 O LEU A 61 -8.463 -4.031 11.730 1.00 0.00 O ATOM 909 CB LEU A 61 -10.630 -3.628 9.677 1.00 0.00 C ATOM 910 CG LEU A 61 -11.744 -4.678 9.702 1.00 0.00 C ATOM 911 CD1 LEU A 61 -13.101 -3.974 9.763 1.00 0.00 C ATOM 912 CD2 LEU A 61 -11.681 -5.539 8.436 1.00 0.00 C ATOM 0 H LEU A 61 -10.265 -6.091 10.064 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.880 -4.061 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.635 -3.061 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.810 -2.917 8.870 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.615 -5.315 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.897 -4.719 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.154 -3.364 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.220 -3.337 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.477 -6.283 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.806 -4.905 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.715 -6.042 8.386 1.00 0.00 H new ATOM 924 N SER A 62 -7.267 -3.078 10.151 1.00 0.00 N ATOM 925 CA SER A 62 -6.288 -2.554 11.145 1.00 0.00 C ATOM 926 C SER A 62 -5.815 -1.155 10.727 1.00 0.00 C ATOM 927 O SER A 62 -4.811 -1.013 10.057 1.00 0.00 O ATOM 928 CB SER A 62 -5.084 -3.495 11.212 1.00 0.00 C ATOM 929 OG SER A 62 -4.736 -3.907 9.896 1.00 0.00 O ATOM 0 H SER A 62 -7.069 -2.840 9.179 1.00 0.00 H new ATOM 0 HA SER A 62 -6.767 -2.494 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.240 -2.991 11.683 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.320 -4.363 11.827 1.00 0.00 H new ATOM 0 HG SER A 62 -5.133 -3.292 9.245 1.00 0.00 H new ATOM 935 N PRO A 63 -6.526 -0.128 11.122 1.00 0.00 N ATOM 936 CA PRO A 63 -6.157 1.277 10.781 1.00 0.00 C ATOM 937 C PRO A 63 -4.714 1.593 11.179 1.00 0.00 C ATOM 938 O PRO A 63 -4.018 2.334 10.514 1.00 0.00 O ATOM 939 CB PRO A 63 -7.129 2.130 11.598 1.00 0.00 C ATOM 940 CG PRO A 63 -8.280 1.239 11.929 1.00 0.00 C ATOM 941 CD PRO A 63 -7.752 -0.196 11.931 1.00 0.00 C ATOM 0 HA PRO A 63 -6.220 1.463 9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.653 2.505 12.504 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.459 2.999 11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.699 1.497 12.902 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.079 1.354 11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -7.543 -0.542 12.943 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.476 -0.888 11.500 1.00 0.00 H new ATOM 949 N GLU A 64 -4.261 1.018 12.257 1.00 0.00 N ATOM 950 CA GLU A 64 -2.864 1.255 12.711 1.00 0.00 C ATOM 951 C GLU A 64 -1.897 0.618 11.712 1.00 0.00 C ATOM 952 O GLU A 64 -0.709 0.874 11.727 1.00 0.00 O ATOM 953 CB GLU A 64 -2.661 0.627 14.089 1.00 0.00 C ATOM 954 CG GLU A 64 -3.569 1.314 15.103 1.00 0.00 C ATOM 955 CD GLU A 64 -3.315 0.735 16.495 1.00 0.00 C ATOM 956 OE1 GLU A 64 -2.603 -0.252 16.583 1.00 0.00 O ATOM 957 OE2 GLU A 64 -3.835 1.287 17.450 1.00 0.00 O ATOM 0 H GLU A 64 -4.804 0.388 12.848 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.675 2.327 12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.884 -0.439 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.619 0.724 14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.381 2.388 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.613 1.173 14.825 1.00 0.00 H new ATOM 964 N HIS A 65 -2.400 -0.227 10.855 1.00 0.00 N ATOM 965 CA HIS A 65 -1.521 -0.908 9.864 1.00 0.00 C ATOM 966 C HIS A 65 -0.950 0.115 8.878 1.00 0.00 C ATOM 967 O HIS A 65 0.107 -0.084 8.309 1.00 0.00 O ATOM 968 CB HIS A 65 -2.344 -1.950 9.104 1.00 0.00 C ATOM 969 CG HIS A 65 -1.438 -2.778 8.240 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.587 -2.847 6.862 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.368 -3.584 8.543 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.631 -3.668 6.391 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.136 -4.141 7.374 1.00 0.00 N ATOM 0 H HIS A 65 -3.387 -0.476 10.799 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.695 -1.394 10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.877 -2.590 9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.097 -1.456 8.490 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.293 -2.363 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.021 -3.758 9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.501 -3.913 5.347 1.00 0.00 H new ATOM 982 N PHE A 66 -1.632 1.206 8.666 1.00 0.00 N ATOM 983 CA PHE A 66 -1.117 2.232 7.714 1.00 0.00 C ATOM 984 C PHE A 66 -0.287 3.269 8.476 1.00 0.00 C ATOM 985 O PHE A 66 0.100 4.286 7.936 1.00 0.00 O ATOM 986 CB PHE A 66 -2.293 2.919 7.021 1.00 0.00 C ATOM 987 CG PHE A 66 -3.023 1.905 6.175 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.628 1.684 4.850 1.00 0.00 C ATOM 989 CD2 PHE A 66 -4.090 1.180 6.719 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.300 0.736 4.070 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.761 0.234 5.938 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.367 0.011 4.613 1.00 0.00 C ATOM 0 H PHE A 66 -2.522 1.432 9.109 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.488 1.750 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.968 3.348 7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.937 3.741 6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.806 2.244 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.395 1.351 7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.995 0.564 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.584 -0.325 6.357 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.886 -0.720 4.011 1.00 0.00 H new ATOM 1002 N ARG A 67 -0.010 3.017 9.725 1.00 0.00 N ATOM 1003 CA ARG A 67 0.796 3.985 10.522 1.00 0.00 C ATOM 1004 C ARG A 67 2.117 4.266 9.799 1.00 0.00 C ATOM 1005 O ARG A 67 2.624 5.369 9.824 1.00 0.00 O ATOM 1006 CB ARG A 67 1.083 3.387 11.906 1.00 0.00 C ATOM 1007 CG ARG A 67 1.819 4.401 12.789 1.00 0.00 C ATOM 1008 CD ARG A 67 0.823 5.397 13.395 1.00 0.00 C ATOM 1009 NE ARG A 67 1.556 6.362 14.262 1.00 0.00 N ATOM 1010 CZ ARG A 67 0.925 7.373 14.792 1.00 0.00 C ATOM 1011 NH1 ARG A 67 1.567 8.219 15.551 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -0.349 7.540 14.562 1.00 0.00 N ATOM 0 H ARG A 67 -0.307 2.182 10.229 1.00 0.00 H new ATOM 0 HA ARG A 67 0.242 4.917 10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.148 3.093 12.382 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.685 2.484 11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.354 3.881 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.564 4.934 12.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.296 5.930 12.603 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.070 4.867 13.978 1.00 0.00 H new ATOM 0 HE ARG A 67 2.552 6.232 14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.563 8.090 15.730 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.073 9.009 15.965 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.851 6.880 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.843 8.331 14.976 1.00 0.00 H new ATOM 1026 N SER A 68 2.679 3.278 9.159 1.00 0.00 N ATOM 1027 CA SER A 68 3.967 3.496 8.439 1.00 0.00 C ATOM 1028 C SER A 68 4.067 2.544 7.243 1.00 0.00 C ATOM 1029 O SER A 68 3.543 1.449 7.263 1.00 0.00 O ATOM 1030 CB SER A 68 5.132 3.234 9.395 1.00 0.00 C ATOM 1031 OG SER A 68 5.193 1.845 9.690 1.00 0.00 O ATOM 0 H SER A 68 2.304 2.331 9.103 1.00 0.00 H new ATOM 0 HA SER A 68 4.007 4.525 8.081 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.068 3.564 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.001 3.807 10.313 1.00 0.00 H new ATOM 0 HG SER A 68 5.940 1.673 10.301 1.00 0.00 H new ATOM 1037 N ILE A 69 4.740 2.958 6.203 1.00 0.00 N ATOM 1038 CA ILE A 69 4.885 2.091 5.006 1.00 0.00 C ATOM 1039 C ILE A 69 5.730 0.858 5.343 1.00 0.00 C ATOM 1040 O ILE A 69 5.464 -0.233 4.880 1.00 0.00 O ATOM 1041 CB ILE A 69 5.572 2.889 3.901 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.742 4.121 3.567 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.696 2.027 2.658 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.504 5.002 2.577 1.00 0.00 C ATOM 0 H ILE A 69 5.198 3.867 6.134 1.00 0.00 H new ATOM 0 HA ILE A 69 3.899 1.762 4.677 1.00 0.00 H new ATOM 0 HB ILE A 69 6.561 3.194 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.785 3.822 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.525 4.682 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.186 2.596 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.287 1.141 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.703 1.725 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.907 5.883 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.450 5.313 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.699 4.439 1.664 1.00 0.00 H new ATOM 1056 N ARG A 70 6.759 1.028 6.127 1.00 0.00 N ATOM 1057 CA ARG A 70 7.634 -0.130 6.472 1.00 0.00 C ATOM 1058 C ARG A 70 6.831 -1.203 7.211 1.00 0.00 C ATOM 1059 O ARG A 70 7.007 -2.384 6.986 1.00 0.00 O ATOM 1060 CB ARG A 70 8.780 0.349 7.366 1.00 0.00 C ATOM 1061 CG ARG A 70 9.665 1.323 6.586 1.00 0.00 C ATOM 1062 CD ARG A 70 10.884 1.695 7.432 1.00 0.00 C ATOM 1063 NE ARG A 70 10.431 2.253 8.737 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.056 3.501 8.818 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.660 3.991 9.961 1.00 0.00 N ATOM 1066 NH2 ARG A 70 10.080 4.259 7.756 1.00 0.00 N ATOM 0 H ARG A 70 7.032 1.918 6.544 1.00 0.00 H new ATOM 0 HA ARG A 70 8.033 -0.557 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.381 0.836 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.370 -0.502 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.985 0.869 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.100 2.219 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.508 0.816 7.597 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.497 2.426 6.905 1.00 0.00 H new ATOM 0 HE ARG A 70 10.414 1.660 9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.643 3.399 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.367 4.966 10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.392 3.876 6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.787 5.234 7.819 1.00 0.00 H new ATOM 1080 N SER A 71 5.954 -0.811 8.093 1.00 0.00 N ATOM 1081 CA SER A 71 5.155 -1.823 8.838 1.00 0.00 C ATOM 1082 C SER A 71 4.331 -2.649 7.849 1.00 0.00 C ATOM 1083 O SER A 71 4.280 -3.860 7.925 1.00 0.00 O ATOM 1084 CB SER A 71 4.218 -1.115 9.816 1.00 0.00 C ATOM 1085 OG SER A 71 3.602 -2.080 10.658 1.00 0.00 O ATOM 0 H SER A 71 5.757 0.161 8.329 1.00 0.00 H new ATOM 0 HA SER A 71 5.826 -2.480 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.776 -0.395 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.459 -0.555 9.270 1.00 0.00 H new ATOM 0 HG SER A 71 3.001 -1.629 11.288 1.00 0.00 H new ATOM 1091 N ILE A 72 3.688 -2.000 6.918 1.00 0.00 N ATOM 1092 CA ILE A 72 2.867 -2.731 5.921 1.00 0.00 C ATOM 1093 C ILE A 72 3.767 -3.630 5.071 1.00 0.00 C ATOM 1094 O ILE A 72 3.403 -4.734 4.717 1.00 0.00 O ATOM 1095 CB ILE A 72 2.169 -1.713 5.021 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.284 -0.801 5.874 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.309 -2.445 3.998 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.686 0.299 4.995 1.00 0.00 C ATOM 0 H ILE A 72 3.698 -0.986 6.807 1.00 0.00 H new ATOM 0 HA ILE A 72 2.128 -3.348 6.432 1.00 0.00 H new ATOM 0 HB ILE A 72 2.917 -1.112 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.488 -1.382 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.870 -0.359 6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.811 -1.719 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.939 -3.094 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.561 -3.046 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.056 0.948 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.489 0.886 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.086 -0.153 4.205 1.00 0.00 H new ATOM 1110 N ASP A 73 4.933 -3.159 4.730 1.00 0.00 N ATOM 1111 CA ASP A 73 5.852 -3.974 3.890 1.00 0.00 C ATOM 1112 C ASP A 73 6.145 -5.313 4.571 1.00 0.00 C ATOM 1113 O ASP A 73 6.182 -6.347 3.934 1.00 0.00 O ATOM 1114 CB ASP A 73 7.165 -3.213 3.695 1.00 0.00 C ATOM 1115 CG ASP A 73 8.020 -3.928 2.648 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.545 -4.904 2.091 1.00 0.00 O ATOM 1117 OD2 ASP A 73 9.134 -3.488 2.421 1.00 0.00 O ATOM 0 H ASP A 73 5.290 -2.242 4.998 1.00 0.00 H new ATOM 0 HA ASP A 73 5.380 -4.160 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.961 -2.191 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.705 -3.151 4.640 1.00 0.00 H new ATOM 1122 N ALA A 74 6.370 -5.305 5.856 1.00 0.00 N ATOM 1123 CA ALA A 74 6.676 -6.582 6.559 1.00 0.00 C ATOM 1124 C ALA A 74 5.457 -7.504 6.549 1.00 0.00 C ATOM 1125 O ALA A 74 5.562 -8.680 6.266 1.00 0.00 O ATOM 1126 CB ALA A 74 7.083 -6.287 8.004 1.00 0.00 C ATOM 0 H ALA A 74 6.355 -4.474 6.447 1.00 0.00 H new ATOM 0 HA ALA A 74 7.496 -7.079 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.307 -7.222 8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.967 -5.649 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.266 -5.779 8.516 1.00 0.00 H new ATOM 1132 N PHE A 75 4.303 -6.987 6.856 1.00 0.00 N ATOM 1133 CA PHE A 75 3.093 -7.850 6.863 1.00 0.00 C ATOM 1134 C PHE A 75 2.833 -8.375 5.452 1.00 0.00 C ATOM 1135 O PHE A 75 2.553 -9.540 5.254 1.00 0.00 O ATOM 1136 CB PHE A 75 1.887 -7.039 7.332 1.00 0.00 C ATOM 1137 CG PHE A 75 2.029 -6.721 8.802 1.00 0.00 C ATOM 1138 CD1 PHE A 75 2.181 -5.394 9.219 1.00 0.00 C ATOM 1139 CD2 PHE A 75 2.012 -7.754 9.746 1.00 0.00 C ATOM 1140 CE1 PHE A 75 2.316 -5.100 10.582 1.00 0.00 C ATOM 1141 CE2 PHE A 75 2.146 -7.461 11.108 1.00 0.00 C ATOM 1142 CZ PHE A 75 2.298 -6.133 11.526 1.00 0.00 C ATOM 0 H PHE A 75 4.145 -6.010 7.101 1.00 0.00 H new ATOM 0 HA PHE A 75 3.252 -8.688 7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.810 -6.117 6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.969 -7.600 7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.194 -4.597 8.490 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.895 -8.778 9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.434 -4.076 10.904 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.132 -8.258 11.836 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.401 -5.906 12.577 1.00 0.00 H new ATOM 1152 N VAL A 76 2.919 -7.524 4.468 1.00 0.00 N ATOM 1153 CA VAL A 76 2.673 -7.969 3.076 1.00 0.00 C ATOM 1154 C VAL A 76 3.788 -8.912 2.619 1.00 0.00 C ATOM 1155 O VAL A 76 3.531 -9.962 2.070 1.00 0.00 O ATOM 1156 CB VAL A 76 2.635 -6.744 2.166 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.629 -7.197 0.710 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.368 -5.936 2.452 1.00 0.00 C ATOM 0 H VAL A 76 3.150 -6.536 4.573 1.00 0.00 H new ATOM 0 HA VAL A 76 1.723 -8.501 3.027 1.00 0.00 H new ATOM 0 HB VAL A 76 3.512 -6.124 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.602 -6.324 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.530 -7.775 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.751 -7.816 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.340 -5.061 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.491 -6.556 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.369 -5.615 3.494 1.00 0.00 H new ATOM 1168 N VAL A 77 5.027 -8.550 2.838 1.00 0.00 N ATOM 1169 CA VAL A 77 6.144 -9.431 2.404 1.00 0.00 C ATOM 1170 C VAL A 77 6.158 -10.710 3.242 1.00 0.00 C ATOM 1171 O VAL A 77 6.326 -11.799 2.729 1.00 0.00 O ATOM 1172 CB VAL A 77 7.463 -8.684 2.587 1.00 0.00 C ATOM 1173 CG1 VAL A 77 8.622 -9.663 2.437 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.581 -7.592 1.523 1.00 0.00 C ATOM 0 H VAL A 77 5.309 -7.684 3.298 1.00 0.00 H new ATOM 0 HA VAL A 77 6.011 -9.699 1.356 1.00 0.00 H new ATOM 0 HB VAL A 77 7.492 -8.231 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.565 -9.133 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.538 -10.445 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.592 -10.113 1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.522 -7.058 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.554 -8.045 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.751 -6.893 1.625 1.00 0.00 H new ATOM 1184 N GLY A 78 5.992 -10.583 4.525 1.00 0.00 N ATOM 1185 CA GLY A 78 6.004 -11.785 5.404 1.00 0.00 C ATOM 1186 C GLY A 78 4.859 -12.730 5.032 1.00 0.00 C ATOM 1187 O GLY A 78 4.933 -13.920 5.262 1.00 0.00 O ATOM 0 H GLY A 78 5.848 -9.696 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.958 -12.304 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.909 -11.482 6.447 1.00 0.00 H new ATOM 1191 N ALA A 79 3.791 -12.211 4.482 1.00 0.00 N ATOM 1192 CA ALA A 79 2.641 -13.093 4.130 1.00 0.00 C ATOM 1193 C ALA A 79 2.598 -13.370 2.625 1.00 0.00 C ATOM 1194 O ALA A 79 2.478 -14.503 2.203 1.00 0.00 O ATOM 1195 CB ALA A 79 1.338 -12.412 4.553 1.00 0.00 C ATOM 0 H ALA A 79 3.667 -11.222 4.263 1.00 0.00 H new ATOM 0 HA ALA A 79 2.762 -14.042 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.493 -13.052 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.351 -12.239 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.240 -11.459 4.034 1.00 0.00 H new ATOM 1201 N THR A 80 2.673 -12.351 1.811 1.00 0.00 N ATOM 1202 CA THR A 80 2.612 -12.578 0.336 1.00 0.00 C ATOM 1203 C THR A 80 3.688 -11.763 -0.386 1.00 0.00 C ATOM 1204 O THR A 80 3.941 -10.621 -0.064 1.00 0.00 O ATOM 1205 CB THR A 80 1.236 -12.159 -0.180 1.00 0.00 C ATOM 1206 OG1 THR A 80 0.229 -12.850 0.548 1.00 0.00 O ATOM 1207 CG2 THR A 80 1.120 -12.501 -1.667 1.00 0.00 C ATOM 0 H THR A 80 2.773 -11.378 2.100 1.00 0.00 H new ATOM 0 HA THR A 80 2.785 -13.636 0.139 1.00 0.00 H new ATOM 0 HB THR A 80 1.109 -11.085 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.654 -12.582 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.138 -12.202 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.892 -11.970 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.247 -13.575 -1.804 1.00 0.00 H new ATOM 1215 N THR A 81 4.303 -12.342 -1.379 1.00 0.00 N ATOM 1216 CA THR A 81 5.346 -11.614 -2.151 1.00 0.00 C ATOM 1217 C THR A 81 4.952 -11.635 -3.634 1.00 0.00 C ATOM 1218 O THR A 81 5.325 -12.530 -4.365 1.00 0.00 O ATOM 1219 CB THR A 81 6.694 -12.315 -1.965 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.578 -11.925 -3.005 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.493 -13.831 -2.001 1.00 0.00 C ATOM 0 H THR A 81 4.125 -13.297 -1.691 1.00 0.00 H new ATOM 0 HA THR A 81 5.429 -10.585 -1.802 1.00 0.00 H new ATOM 0 HB THR A 81 7.121 -12.032 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.206 -12.654 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.454 -14.329 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.817 -14.128 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.065 -14.119 -2.961 1.00 0.00 H new ATOM 1229 N PRO A 82 4.182 -10.667 -4.069 1.00 0.00 N ATOM 1230 CA PRO A 82 3.707 -10.588 -5.478 1.00 0.00 C ATOM 1231 C PRO A 82 4.739 -9.976 -6.434 1.00 0.00 C ATOM 1232 O PRO A 82 5.646 -9.281 -6.023 1.00 0.00 O ATOM 1233 CB PRO A 82 2.477 -9.687 -5.383 1.00 0.00 C ATOM 1234 CG PRO A 82 2.725 -8.796 -4.209 1.00 0.00 C ATOM 1235 CD PRO A 82 3.676 -9.540 -3.265 1.00 0.00 C ATOM 0 HA PRO A 82 3.509 -11.579 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 82 2.345 -9.106 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.570 -10.275 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.163 -7.851 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.789 -8.558 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.488 -8.895 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.157 -9.890 -2.373 1.00 0.00 H new ATOM 1243 N PRO A 83 4.582 -10.233 -7.708 1.00 0.00 N ATOM 1244 CA PRO A 83 5.490 -9.704 -8.768 1.00 0.00 C ATOM 1245 C PRO A 83 5.423 -8.177 -8.863 1.00 0.00 C ATOM 1246 O PRO A 83 4.420 -7.572 -8.538 1.00 0.00 O ATOM 1247 CB PRO A 83 4.978 -10.344 -10.062 1.00 0.00 C ATOM 1248 CG PRO A 83 3.576 -10.769 -9.775 1.00 0.00 C ATOM 1249 CD PRO A 83 3.509 -11.062 -8.279 1.00 0.00 C ATOM 0 HA PRO A 83 6.533 -9.942 -8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.011 -9.635 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.595 -11.196 -10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.870 -9.985 -10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.312 -11.653 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.536 -10.799 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.668 -12.120 -8.072 1.00 0.00 H new ATOM 1257 N VAL A 84 6.477 -7.547 -9.299 1.00 0.00 N ATOM 1258 CA VAL A 84 6.457 -6.062 -9.403 1.00 0.00 C ATOM 1259 C VAL A 84 5.930 -5.652 -10.779 1.00 0.00 C ATOM 1260 O VAL A 84 6.411 -6.099 -11.802 1.00 0.00 O ATOM 1261 CB VAL A 84 7.877 -5.522 -9.223 1.00 0.00 C ATOM 1262 CG1 VAL A 84 7.866 -3.999 -9.359 1.00 0.00 C ATOM 1263 CG2 VAL A 84 8.395 -5.905 -7.834 1.00 0.00 C ATOM 0 H VAL A 84 7.348 -7.993 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 84 5.808 -5.653 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 84 8.527 -5.950 -9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.878 -3.615 -9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.496 -3.725 -10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.216 -3.570 -8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.407 -5.521 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.744 -5.477 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.404 -6.991 -7.735 1.00 0.00 H new ATOM 1273 N GLU A 85 4.940 -4.801 -10.807 1.00 0.00 N ATOM 1274 CA GLU A 85 4.368 -4.352 -12.107 1.00 0.00 C ATOM 1275 C GLU A 85 3.983 -2.875 -12.005 1.00 0.00 C ATOM 1276 O GLU A 85 3.679 -2.377 -10.939 1.00 0.00 O ATOM 1277 CB GLU A 85 3.127 -5.184 -12.432 1.00 0.00 C ATOM 1278 CG GLU A 85 2.618 -4.819 -13.829 1.00 0.00 C ATOM 1279 CD GLU A 85 1.321 -5.577 -14.114 1.00 0.00 C ATOM 1280 OE1 GLU A 85 0.790 -5.417 -15.200 1.00 0.00 O ATOM 1281 OE2 GLU A 85 0.878 -6.306 -13.240 1.00 0.00 O ATOM 0 H GLU A 85 4.501 -4.396 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 85 5.107 -4.482 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.367 -6.246 -12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.349 -5.001 -11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.446 -3.745 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.370 -5.068 -14.578 1.00 0.00 H new ATOM 1288 N ALA A 86 3.992 -2.169 -13.102 1.00 0.00 N ATOM 1289 CA ALA A 86 3.623 -0.726 -13.058 1.00 0.00 C ATOM 1290 C ALA A 86 2.222 -0.578 -12.458 1.00 0.00 C ATOM 1291 O ALA A 86 1.352 -1.397 -12.680 1.00 0.00 O ATOM 1292 CB ALA A 86 3.635 -0.152 -14.476 1.00 0.00 C ATOM 0 H ALA A 86 4.238 -2.528 -14.025 1.00 0.00 H new ATOM 0 HA ALA A 86 4.342 -0.185 -12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.365 0.904 -14.444 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.632 -0.259 -14.903 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.916 -0.691 -15.093 1.00 0.00 H new ATOM 1298 N LYS A 87 1.998 0.459 -11.698 1.00 0.00 N ATOM 1299 CA LYS A 87 0.654 0.657 -11.082 1.00 0.00 C ATOM 1300 C LYS A 87 -0.310 1.211 -12.133 1.00 0.00 C ATOM 1301 O LYS A 87 0.017 2.118 -12.872 1.00 0.00 O ATOM 1302 CB LYS A 87 0.771 1.648 -9.921 1.00 0.00 C ATOM 1303 CG LYS A 87 -0.529 1.652 -9.113 1.00 0.00 C ATOM 1304 CD LYS A 87 -0.417 2.672 -7.976 1.00 0.00 C ATOM 1305 CE LYS A 87 -1.607 2.520 -7.026 1.00 0.00 C ATOM 1306 NZ LYS A 87 -2.585 1.556 -7.605 1.00 0.00 N ATOM 0 H LYS A 87 2.687 1.178 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 87 0.276 -0.296 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.608 1.374 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.976 2.648 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.371 1.902 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.722 0.659 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.516 2.523 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.391 3.683 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.266 2.168 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.084 3.487 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.458 1.566 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.803 1.829 -8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.177 0.599 -7.594 1.00 0.00 H new ATOM 1320 N LEU A 88 -1.497 0.673 -12.205 1.00 0.00 N ATOM 1321 CA LEU A 88 -2.479 1.169 -13.210 1.00 0.00 C ATOM 1322 C LEU A 88 -2.737 2.659 -12.976 1.00 0.00 C ATOM 1323 O LEU A 88 -2.928 3.418 -13.905 1.00 0.00 O ATOM 1324 CB LEU A 88 -3.793 0.397 -13.064 1.00 0.00 C ATOM 1325 CG LEU A 88 -3.529 -1.102 -13.225 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -4.856 -1.863 -13.162 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -2.862 -1.363 -14.577 1.00 0.00 C ATOM 0 H LEU A 88 -1.829 -0.088 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.079 1.020 -14.213 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.237 0.596 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.509 0.733 -13.814 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.873 -1.441 -12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.669 -2.931 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.335 -1.680 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.510 -1.521 -13.964 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.675 -2.431 -14.690 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.518 -1.023 -15.378 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.917 -0.822 -14.627 1.00 0.00 H new ATOM 1339 N GLN A 89 -2.741 3.084 -11.742 1.00 0.00 N ATOM 1340 CA GLN A 89 -2.985 4.525 -11.450 1.00 0.00 C ATOM 1341 C GLN A 89 -2.779 4.786 -9.958 1.00 0.00 C ATOM 1342 O GLN A 89 -1.807 5.442 -9.619 1.00 0.00 O ATOM 1343 CB GLN A 89 -4.420 4.888 -11.838 1.00 0.00 C ATOM 1344 CG GLN A 89 -4.629 6.395 -11.670 1.00 0.00 C ATOM 1345 CD GLN A 89 -6.051 6.764 -12.092 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -6.777 5.939 -12.613 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -6.485 7.979 -11.891 1.00 0.00 N ATOM 1348 OXT GLN A 89 -3.595 4.324 -9.177 1.00 0.00 O ATOM 0 H GLN A 89 -2.586 2.496 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.288 5.135 -12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.614 4.596 -12.870 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.126 4.340 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.460 6.683 -10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.906 6.943 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.877 8.672 -11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.432 8.235 -12.171 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -6.095 -2.578 7.851 1.00 0.00 O HETATM 1359 P 7V9 A 101 -11.986 5.205 5.730 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -10.681 0.468 9.442 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -11.281 2.250 7.801 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -12.358 6.376 6.552 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -10.575 4.998 5.336 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -12.495 3.877 6.485 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.688 3.718 7.656 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -9.889 2.045 7.201 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -12.286 1.362 7.064 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -11.261 1.872 9.280 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -10.449 2.798 9.991 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -11.345 -0.438 9.906 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -9.432 0.289 9.111 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -9.013 -0.973 8.443 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -7.664 -0.768 7.752 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -7.093 -2.124 7.329 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -7.704 -2.763 6.368 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -6.971 -3.104 5.115 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -6.143 -4.373 5.332 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.480 -4.129 4.662 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -4.346 -5.716 3.798 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -3.908 -6.688 4.380 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -3.706 -5.237 2.649 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -2.487 -4.555 2.754 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -1.863 -4.106 1.654 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -2.382 -4.294 0.431 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -3.599 -4.970 0.270 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -4.243 -5.491 1.390 1.00 0.00 C