USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 42 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= -0.172 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0.565 (180deg=-0.542) USER MOD Set 2.3: A 32 HIS : no HE2:sc= 0.58 K(o=0.97,f=-6.7!) USER MOD Single : A 1 ARG N :NH3+ 169:sc= -0.344 (180deg=-0.499) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= -0.0914 (180deg=-0.832) USER MOD Single : A 4 GLN : amide:sc= -0.73 K(o=-0.73,f=-2.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.833 K(o=-0.83,f=0.12) USER MOD Single : A 16 SER OG : rot -84:sc= 0.657 USER MOD Single : A 20 LYS NZ :NH3+ -148:sc= -0.139 (180deg=-0.5) USER MOD Single : A 25 ASN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.34 K(o=1.3,f=-0.003) USER MOD Single : A 37 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00358 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.905 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.0507 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.581 12.071 -8.424 1.00 0.00 N ATOM 2 CA ARG A 1 -13.346 11.404 -7.964 1.00 0.00 C ATOM 3 C ARG A 1 -12.118 12.009 -8.658 1.00 0.00 C ATOM 4 O ARG A 1 -11.410 11.327 -9.392 1.00 0.00 O ATOM 5 CB ARG A 1 -13.420 9.868 -8.172 1.00 0.00 C ATOM 6 CG ARG A 1 -14.246 9.483 -9.422 1.00 0.00 C ATOM 7 CD ARG A 1 -13.529 9.908 -10.710 1.00 0.00 C ATOM 8 NE ARG A 1 -14.236 9.403 -11.897 1.00 0.00 N ATOM 9 CZ ARG A 1 -14.099 8.147 -12.366 1.00 0.00 C ATOM 10 NH1 ARG A 1 -13.308 7.269 -11.735 1.00 0.00 N ATOM 11 NH2 ARG A 1 -14.759 7.774 -13.471 1.00 0.00 N ATOM 0 H1 ARG A 1 -15.409 11.535 -8.093 1.00 0.00 H new ATOM 0 H2 ARG A 1 -14.618 13.037 -8.040 1.00 0.00 H new ATOM 0 H3 ARG A 1 -14.587 12.112 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.246 11.576 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -12.411 9.468 -8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -13.863 9.405 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -14.413 8.406 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -15.226 9.957 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -13.467 10.995 -10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -12.507 9.530 -10.703 1.00 0.00 H new ATOM 0 HE ARG A 1 -14.863 10.037 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.804 7.549 -10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -13.209 6.320 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -15.362 8.440 -13.954 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -14.658 6.824 -13.829 1.00 0.00 H new ATOM 27 N LYS A 2 -11.868 13.304 -8.415 1.00 0.00 N ATOM 28 CA LYS A 2 -10.733 13.997 -9.017 1.00 0.00 C ATOM 29 C LYS A 2 -9.413 13.493 -8.416 1.00 0.00 C ATOM 30 O LYS A 2 -8.357 13.664 -9.021 1.00 0.00 O ATOM 31 CB LYS A 2 -10.886 15.516 -8.829 1.00 0.00 C ATOM 32 CG LYS A 2 -11.039 15.869 -7.341 1.00 0.00 C ATOM 33 CD LYS A 2 -10.800 17.372 -7.126 1.00 0.00 C ATOM 34 CE LYS A 2 -11.854 18.200 -7.878 1.00 0.00 C ATOM 35 NZ LYS A 2 -11.380 18.586 -9.221 1.00 0.00 N ATOM 0 H LYS A 2 -12.440 13.888 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.713 13.784 -10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.016 16.027 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.756 15.870 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.037 15.599 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.330 15.292 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.839 17.603 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.803 17.641 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.775 17.624 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.093 19.095 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.313 19.622 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.443 18.168 -9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.050 18.241 -9.938 1.00 0.00 H new ATOM 49 N ARG A 3 -9.476 12.876 -7.226 1.00 0.00 N ATOM 50 CA ARG A 3 -8.294 12.352 -6.559 1.00 0.00 C ATOM 51 C ARG A 3 -8.695 11.176 -5.670 1.00 0.00 C ATOM 52 O ARG A 3 -9.204 11.374 -4.567 1.00 0.00 O ATOM 53 CB ARG A 3 -7.638 13.469 -5.736 1.00 0.00 C ATOM 54 CG ARG A 3 -6.318 12.970 -5.135 1.00 0.00 C ATOM 55 CD ARG A 3 -5.685 14.075 -4.281 1.00 0.00 C ATOM 56 NE ARG A 3 -5.302 15.234 -5.102 1.00 0.00 N ATOM 57 CZ ARG A 3 -4.168 15.286 -5.830 1.00 0.00 C ATOM 58 NH1 ARG A 3 -3.338 14.234 -5.866 1.00 0.00 N ATOM 59 NH2 ARG A 3 -3.872 16.394 -6.520 1.00 0.00 N ATOM 0 H ARG A 3 -10.344 12.732 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.572 11.997 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.454 14.338 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.311 13.790 -4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.497 12.084 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.634 12.676 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.389 14.390 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.806 13.683 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.927 16.040 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.563 13.389 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.482 14.279 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.503 17.195 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.015 16.438 -7.072 1.00 0.00 H new ATOM 73 N GLN A 4 -8.462 9.952 -6.154 1.00 0.00 N ATOM 74 CA GLN A 4 -8.783 8.750 -5.402 1.00 0.00 C ATOM 75 C GLN A 4 -7.770 8.582 -4.272 1.00 0.00 C ATOM 76 O GLN A 4 -6.565 8.556 -4.521 1.00 0.00 O ATOM 77 CB GLN A 4 -8.761 7.541 -6.353 1.00 0.00 C ATOM 78 CG GLN A 4 -9.552 6.365 -5.755 1.00 0.00 C ATOM 79 CD GLN A 4 -8.788 5.690 -4.615 1.00 0.00 C ATOM 80 OE1 GLN A 4 -7.673 5.207 -4.807 1.00 0.00 O ATOM 81 NE2 GLN A 4 -9.395 5.652 -3.427 1.00 0.00 N ATOM 0 H GLN A 4 -8.049 9.774 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.778 8.827 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.189 7.821 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.731 7.236 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.513 6.723 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.762 5.634 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.320 6.066 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.933 5.209 -2.632 1.00 0.00 H new ATOM 90 N ALA A 5 -8.260 8.470 -3.031 1.00 0.00 N ATOM 91 CA ALA A 5 -7.400 8.293 -1.873 1.00 0.00 C ATOM 92 C ALA A 5 -6.882 6.851 -1.843 1.00 0.00 C ATOM 93 O ALA A 5 -6.089 6.469 -2.696 1.00 0.00 O ATOM 94 CB ALA A 5 -8.185 8.641 -0.604 1.00 0.00 C ATOM 0 H ALA A 5 -9.256 8.500 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.539 8.959 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.544 8.510 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.520 9.677 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.051 7.984 -0.520 1.00 0.00 H new ATOM 100 N TRP A 6 -7.333 6.052 -0.867 1.00 0.00 N ATOM 101 CA TRP A 6 -6.923 4.659 -0.744 1.00 0.00 C ATOM 102 C TRP A 6 -8.104 3.843 -0.229 1.00 0.00 C ATOM 103 O TRP A 6 -8.889 4.337 0.579 1.00 0.00 O ATOM 104 CB TRP A 6 -5.727 4.556 0.211 1.00 0.00 C ATOM 105 CG TRP A 6 -4.406 4.919 -0.398 1.00 0.00 C ATOM 106 CD1 TRP A 6 -3.956 6.167 -0.617 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.341 4.040 -0.871 1.00 0.00 C ATOM 108 NE1 TRP A 6 -2.707 6.149 -1.190 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.272 4.848 -1.372 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.161 2.638 -0.927 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.100 4.298 -1.899 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -1.976 2.081 -1.452 1.00 0.00 C ATOM 113 CH2 TRP A 6 -0.950 2.912 -1.935 1.00 0.00 C ATOM 0 H TRP A 6 -7.988 6.357 -0.147 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.617 4.267 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.907 5.205 1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.669 3.536 0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.504 7.065 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.174 6.980 -1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.941 1.986 -0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.318 4.941 -2.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.856 1.008 -1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.046 2.477 -2.334 1.00 0.00 H new ATOM 124 N LEU A 7 -8.234 2.600 -0.704 1.00 0.00 N ATOM 125 CA LEU A 7 -9.336 1.734 -0.311 1.00 0.00 C ATOM 126 C LEU A 7 -8.957 0.933 0.934 1.00 0.00 C ATOM 127 O LEU A 7 -7.786 0.630 1.156 1.00 0.00 O ATOM 128 CB LEU A 7 -9.692 0.786 -1.465 1.00 0.00 C ATOM 129 CG LEU A 7 -10.504 1.521 -2.545 1.00 0.00 C ATOM 130 CD1 LEU A 7 -9.565 2.250 -3.514 1.00 0.00 C ATOM 131 CD2 LEU A 7 -11.337 0.503 -3.328 1.00 0.00 C ATOM 0 H LEU A 7 -7.583 2.175 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.205 2.349 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.780 0.380 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.266 -0.059 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.155 2.250 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.154 2.766 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.967 2.976 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.906 1.527 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.915 1.019 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.675 -0.223 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.015 -0.012 -2.648 1.00 0.00 H new ATOM 143 N TRP A 8 -9.969 0.583 1.736 1.00 0.00 N ATOM 144 CA TRP A 8 -9.786 -0.196 2.953 1.00 0.00 C ATOM 145 C TRP A 8 -9.019 -1.488 2.652 1.00 0.00 C ATOM 146 O TRP A 8 -8.172 -1.910 3.440 1.00 0.00 O ATOM 147 CB TRP A 8 -11.167 -0.515 3.542 1.00 0.00 C ATOM 148 CG TRP A 8 -11.985 -1.477 2.729 1.00 0.00 C ATOM 149 CD1 TRP A 8 -12.096 -2.796 2.962 1.00 0.00 C ATOM 150 CD2 TRP A 8 -12.798 -1.227 1.538 1.00 0.00 C ATOM 151 NE1 TRP A 8 -12.899 -3.398 2.025 1.00 0.00 N ATOM 152 CE2 TRP A 8 -13.365 -2.471 1.110 1.00 0.00 C ATOM 153 CE3 TRP A 8 -13.119 -0.083 0.765 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -14.192 -2.574 -0.013 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -13.951 -0.186 -0.371 1.00 0.00 C ATOM 156 CH2 TRP A 8 -14.485 -1.428 -0.757 1.00 0.00 C ATOM 0 H TRP A 8 -10.940 0.836 1.553 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.203 0.378 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -11.035 -0.926 4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.725 0.415 3.651 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -11.616 -3.314 3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -13.122 -4.393 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.722 0.880 1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -14.601 -3.531 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -14.179 0.697 -0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -15.121 -1.496 -1.627 1.00 0.00 H new ATOM 167 N GLU A 9 -9.323 -2.115 1.508 1.00 0.00 N ATOM 168 CA GLU A 9 -8.680 -3.351 1.112 1.00 0.00 C ATOM 169 C GLU A 9 -7.190 -3.107 0.869 1.00 0.00 C ATOM 170 O GLU A 9 -6.363 -3.927 1.252 1.00 0.00 O ATOM 171 CB GLU A 9 -9.381 -3.916 -0.134 1.00 0.00 C ATOM 172 CG GLU A 9 -9.061 -3.065 -1.369 1.00 0.00 C ATOM 173 CD GLU A 9 -9.959 -3.429 -2.545 1.00 0.00 C ATOM 174 OE1 GLU A 9 -10.725 -4.408 -2.401 1.00 0.00 O ATOM 175 OE2 GLU A 9 -9.860 -2.719 -3.566 1.00 0.00 O ATOM 0 H GLU A 9 -10.018 -1.774 0.843 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.765 -4.090 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.061 -4.944 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.459 -3.940 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.186 -2.010 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.017 -3.206 -1.649 1.00 0.00 H new ATOM 182 N GLU A 10 -6.847 -1.978 0.240 1.00 0.00 N ATOM 183 CA GLU A 10 -5.460 -1.643 -0.033 1.00 0.00 C ATOM 184 C GLU A 10 -4.732 -1.375 1.279 1.00 0.00 C ATOM 185 O GLU A 10 -3.592 -1.788 1.445 1.00 0.00 O ATOM 186 CB GLU A 10 -5.386 -0.411 -0.941 1.00 0.00 C ATOM 187 CG GLU A 10 -6.023 -0.707 -2.301 1.00 0.00 C ATOM 188 CD GLU A 10 -6.059 0.549 -3.165 1.00 0.00 C ATOM 189 OE1 GLU A 10 -6.399 1.615 -2.606 1.00 0.00 O ATOM 190 OE2 GLU A 10 -5.744 0.424 -4.371 1.00 0.00 O ATOM 0 H GLU A 10 -7.519 -1.284 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.981 -2.479 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.897 0.427 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.346 -0.114 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.459 -1.488 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.035 -1.086 -2.159 1.00 0.00 H new ATOM 197 N ASP A 11 -5.394 -0.676 2.209 1.00 0.00 N ATOM 198 CA ASP A 11 -4.801 -0.338 3.494 1.00 0.00 C ATOM 199 C ASP A 11 -4.367 -1.602 4.237 1.00 0.00 C ATOM 200 O ASP A 11 -3.196 -1.740 4.588 1.00 0.00 O ATOM 201 CB ASP A 11 -5.809 0.454 4.338 1.00 0.00 C ATOM 202 CG ASP A 11 -6.142 1.796 3.696 1.00 0.00 C ATOM 203 OD1 ASP A 11 -5.198 2.426 3.176 1.00 0.00 O ATOM 204 OD2 ASP A 11 -7.330 2.169 3.744 1.00 0.00 O ATOM 0 H ASP A 11 -6.347 -0.335 2.087 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.918 0.277 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.722 -0.129 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.401 0.618 5.335 1.00 0.00 H new ATOM 209 N LYS A 12 -5.310 -2.518 4.491 1.00 0.00 N ATOM 210 CA LYS A 12 -5.011 -3.734 5.243 1.00 0.00 C ATOM 211 C LYS A 12 -4.099 -4.674 4.442 1.00 0.00 C ATOM 212 O LYS A 12 -3.205 -5.290 5.018 1.00 0.00 O ATOM 213 CB LYS A 12 -6.321 -4.425 5.672 1.00 0.00 C ATOM 214 CG LYS A 12 -7.149 -4.864 4.456 1.00 0.00 C ATOM 215 CD LYS A 12 -6.967 -6.368 4.212 1.00 0.00 C ATOM 216 CE LYS A 12 -7.697 -6.770 2.928 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.491 -8.198 2.627 1.00 0.00 N ATOM 0 H LYS A 12 -6.280 -2.437 4.187 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.463 -3.463 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.090 -5.293 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.909 -3.744 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.202 -4.639 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.839 -4.304 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.907 -6.608 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.358 -6.934 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.763 -6.567 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.337 -6.164 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.996 -8.445 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.475 -8.384 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.856 -8.774 3.412 1.00 0.00 H new ATOM 231 N ASN A 13 -4.318 -4.786 3.123 1.00 0.00 N ATOM 232 CA ASN A 13 -3.517 -5.668 2.276 1.00 0.00 C ATOM 233 C ASN A 13 -2.063 -5.192 2.249 1.00 0.00 C ATOM 234 O ASN A 13 -1.140 -5.993 2.385 1.00 0.00 O ATOM 235 CB ASN A 13 -4.115 -5.685 0.864 1.00 0.00 C ATOM 236 CG ASN A 13 -3.390 -6.668 -0.048 1.00 0.00 C ATOM 237 OD1 ASN A 13 -2.695 -7.561 0.425 1.00 0.00 O ATOM 238 ND2 ASN A 13 -3.561 -6.501 -1.360 1.00 0.00 N ATOM 0 H ASN A 13 -5.045 -4.274 2.624 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.531 -6.681 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.170 -5.952 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.062 -4.684 0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.103 -7.132 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.149 -5.743 -1.705 1.00 0.00 H new ATOM 245 N LEU A 14 -1.864 -3.885 2.073 1.00 0.00 N ATOM 246 CA LEU A 14 -0.536 -3.303 2.027 1.00 0.00 C ATOM 247 C LEU A 14 0.136 -3.439 3.389 1.00 0.00 C ATOM 248 O LEU A 14 1.257 -3.919 3.481 1.00 0.00 O ATOM 249 CB LEU A 14 -0.646 -1.829 1.618 1.00 0.00 C ATOM 250 CG LEU A 14 0.752 -1.202 1.503 1.00 0.00 C ATOM 251 CD1 LEU A 14 0.817 -0.336 0.249 1.00 0.00 C ATOM 252 CD2 LEU A 14 1.041 -0.332 2.731 1.00 0.00 C ATOM 0 H LEU A 14 -2.619 -3.209 1.960 1.00 0.00 H new ATOM 0 HA LEU A 14 0.074 -3.828 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.168 -1.747 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.237 -1.284 2.353 1.00 0.00 H new ATOM 0 HG LEU A 14 1.495 -1.998 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.808 0.110 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.621 -0.952 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.068 0.454 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.034 0.108 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.297 0.462 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.997 -0.946 3.630 1.00 0.00 H new ATOM 264 N ARG A 15 -0.557 -3.006 4.444 1.00 0.00 N ATOM 265 CA ARG A 15 -0.022 -3.042 5.794 1.00 0.00 C ATOM 266 C ARG A 15 0.461 -4.452 6.161 1.00 0.00 C ATOM 267 O ARG A 15 1.529 -4.598 6.752 1.00 0.00 O ATOM 268 CB ARG A 15 -1.101 -2.550 6.762 1.00 0.00 C ATOM 269 CG ARG A 15 -0.588 -2.611 8.203 1.00 0.00 C ATOM 270 CD ARG A 15 -1.513 -1.806 9.124 1.00 0.00 C ATOM 271 NE ARG A 15 -2.887 -2.344 9.108 1.00 0.00 N ATOM 272 CZ ARG A 15 -3.910 -1.784 8.424 1.00 0.00 C ATOM 273 NH1 ARG A 15 -3.704 -0.739 7.607 1.00 0.00 N ATOM 274 NH2 ARG A 15 -5.147 -2.277 8.564 1.00 0.00 N ATOM 0 H ARG A 15 -1.500 -2.623 4.381 1.00 0.00 H new ATOM 0 HA ARG A 15 0.846 -2.387 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.385 -1.528 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.997 -3.163 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.541 -3.647 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.425 -2.213 8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.124 -1.827 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.525 -0.763 8.809 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.076 -3.190 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.765 -0.356 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.486 -0.328 7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.313 -3.070 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.923 -1.859 8.051 1.00 0.00 H new ATOM 288 N SER A 16 -0.316 -5.487 5.819 1.00 0.00 N ATOM 289 CA SER A 16 0.055 -6.862 6.141 1.00 0.00 C ATOM 290 C SER A 16 1.203 -7.333 5.241 1.00 0.00 C ATOM 291 O SER A 16 2.215 -7.833 5.735 1.00 0.00 O ATOM 292 CB SER A 16 -1.171 -7.767 5.986 1.00 0.00 C ATOM 293 OG SER A 16 -1.663 -7.685 4.666 1.00 0.00 O ATOM 0 H SER A 16 -1.202 -5.395 5.321 1.00 0.00 H new ATOM 0 HA SER A 16 0.402 -6.912 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.905 -8.798 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.946 -7.468 6.692 1.00 0.00 H new ATOM 0 HG SER A 16 -2.251 -6.906 4.584 1.00 0.00 H new ATOM 299 N GLY A 17 1.039 -7.180 3.921 1.00 0.00 N ATOM 300 CA GLY A 17 2.034 -7.613 2.950 1.00 0.00 C ATOM 301 C GLY A 17 3.404 -6.995 3.234 1.00 0.00 C ATOM 302 O GLY A 17 4.425 -7.676 3.125 1.00 0.00 O ATOM 0 H GLY A 17 0.212 -6.753 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.113 -8.700 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.710 -7.335 1.947 1.00 0.00 H new ATOM 306 N VAL A 18 3.428 -5.707 3.591 1.00 0.00 N ATOM 307 CA VAL A 18 4.671 -5.001 3.864 1.00 0.00 C ATOM 308 C VAL A 18 5.446 -5.693 4.987 1.00 0.00 C ATOM 309 O VAL A 18 6.656 -5.844 4.888 1.00 0.00 O ATOM 310 CB VAL A 18 4.363 -3.539 4.221 1.00 0.00 C ATOM 311 CG1 VAL A 18 5.569 -2.904 4.914 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.056 -2.757 2.941 1.00 0.00 C ATOM 0 H VAL A 18 2.591 -5.134 3.697 1.00 0.00 H new ATOM 0 HA VAL A 18 5.298 -5.017 2.973 1.00 0.00 H new ATOM 0 HB VAL A 18 3.504 -3.511 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.341 -1.868 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.796 -3.455 5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.430 -2.936 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.837 -1.719 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.919 -2.795 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.193 -3.199 2.442 1.00 0.00 H new ATOM 322 N ARG A 19 4.758 -6.109 6.053 1.00 0.00 N ATOM 323 CA ARG A 19 5.421 -6.772 7.170 1.00 0.00 C ATOM 324 C ARG A 19 5.852 -8.183 6.765 1.00 0.00 C ATOM 325 O ARG A 19 6.886 -8.666 7.223 1.00 0.00 O ATOM 326 CB ARG A 19 4.481 -6.829 8.385 1.00 0.00 C ATOM 327 CG ARG A 19 4.831 -5.714 9.384 1.00 0.00 C ATOM 328 CD ARG A 19 4.117 -4.416 8.995 1.00 0.00 C ATOM 329 NE ARG A 19 2.673 -4.519 9.244 1.00 0.00 N ATOM 330 CZ ARG A 19 2.130 -4.505 10.475 1.00 0.00 C ATOM 331 NH1 ARG A 19 2.890 -4.235 11.547 1.00 0.00 N ATOM 332 NH2 ARG A 19 0.826 -4.763 10.632 1.00 0.00 N ATOM 0 H ARG A 19 3.750 -5.998 6.163 1.00 0.00 H new ATOM 0 HA ARG A 19 6.309 -6.201 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.447 -6.722 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.563 -7.801 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.538 -6.012 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.909 -5.554 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.530 -3.584 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.294 -4.200 7.941 1.00 0.00 H new ATOM 0 HE ARG A 19 2.049 -4.606 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.884 -4.039 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.474 -4.226 12.478 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.246 -4.970 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.413 -4.753 11.564 1.00 0.00 H new ATOM 346 N LYS A 20 5.057 -8.847 5.917 1.00 0.00 N ATOM 347 CA LYS A 20 5.354 -10.204 5.487 1.00 0.00 C ATOM 348 C LYS A 20 6.643 -10.243 4.660 1.00 0.00 C ATOM 349 O LYS A 20 7.520 -11.061 4.932 1.00 0.00 O ATOM 350 CB LYS A 20 4.167 -10.755 4.683 1.00 0.00 C ATOM 351 CG LYS A 20 4.440 -12.215 4.291 1.00 0.00 C ATOM 352 CD LYS A 20 3.200 -12.836 3.621 1.00 0.00 C ATOM 353 CE LYS A 20 2.022 -12.936 4.607 1.00 0.00 C ATOM 354 NZ LYS A 20 2.423 -13.564 5.880 1.00 0.00 N ATOM 0 H LYS A 20 4.202 -8.458 5.518 1.00 0.00 H new ATOM 0 HA LYS A 20 5.509 -10.832 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.254 -10.692 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.010 -10.152 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.290 -12.262 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.709 -12.791 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.908 -12.232 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.447 -13.829 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.626 -11.939 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.217 -13.515 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.620 -14.095 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.218 -14.213 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.714 -12.827 6.554 1.00 0.00 H new ATOM 368 N TYR A 21 6.753 -9.371 3.649 1.00 0.00 N ATOM 369 CA TYR A 21 7.920 -9.351 2.772 1.00 0.00 C ATOM 370 C TYR A 21 8.968 -8.355 3.281 1.00 0.00 C ATOM 371 O TYR A 21 10.108 -8.739 3.532 1.00 0.00 O ATOM 372 CB TYR A 21 7.469 -9.009 1.349 1.00 0.00 C ATOM 373 CG TYR A 21 6.594 -10.089 0.736 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.144 -11.351 0.444 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.234 -9.839 0.474 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.334 -12.362 -0.103 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.428 -10.852 -0.077 1.00 0.00 C ATOM 378 CZ TYR A 21 4.977 -12.113 -0.359 1.00 0.00 C ATOM 379 OH TYR A 21 4.192 -13.099 -0.881 1.00 0.00 O ATOM 0 H TYR A 21 6.045 -8.672 3.422 1.00 0.00 H new ATOM 0 HA TYR A 21 8.389 -10.335 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.921 -8.067 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.347 -8.858 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.189 -11.543 0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.810 -8.871 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.757 -13.331 -0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.386 -10.659 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 21 3.279 -12.763 -0.997 1.00 0.00 H new ATOM 389 N GLY A 22 8.582 -7.084 3.430 1.00 0.00 N ATOM 390 CA GLY A 22 9.487 -6.039 3.896 1.00 0.00 C ATOM 391 C GLY A 22 9.274 -4.777 3.070 1.00 0.00 C ATOM 392 O GLY A 22 9.263 -4.838 1.840 1.00 0.00 O ATOM 0 H GLY A 22 7.637 -6.756 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.307 -5.831 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.521 -6.373 3.809 1.00 0.00 H new ATOM 396 N GLU A 23 9.102 -3.629 3.742 1.00 0.00 N ATOM 397 CA GLU A 23 8.874 -2.364 3.052 1.00 0.00 C ATOM 398 C GLU A 23 10.044 -2.070 2.105 1.00 0.00 C ATOM 399 O GLU A 23 11.155 -2.557 2.314 1.00 0.00 O ATOM 400 CB GLU A 23 8.655 -1.240 4.084 1.00 0.00 C ATOM 401 CG GLU A 23 9.990 -0.648 4.573 1.00 0.00 C ATOM 402 CD GLU A 23 10.446 0.528 3.702 1.00 0.00 C ATOM 403 OE1 GLU A 23 9.564 1.317 3.292 1.00 0.00 O ATOM 404 OE2 GLU A 23 11.670 0.618 3.466 1.00 0.00 O ATOM 0 H GLU A 23 9.117 -3.557 4.759 1.00 0.00 H new ATOM 0 HA GLU A 23 7.972 -2.426 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.048 -0.451 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.097 -1.631 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.883 -0.315 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.756 -1.424 4.566 1.00 0.00 H new ATOM 411 N GLY A 24 9.785 -1.285 1.054 1.00 0.00 N ATOM 412 CA GLY A 24 10.800 -0.962 0.062 1.00 0.00 C ATOM 413 C GLY A 24 10.754 -1.977 -1.080 1.00 0.00 C ATOM 414 O GLY A 24 10.942 -1.614 -2.241 1.00 0.00 O ATOM 0 H GLY A 24 8.874 -0.863 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.634 0.043 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.787 -0.966 0.524 1.00 0.00 H new ATOM 418 N ASN A 25 10.497 -3.253 -0.750 1.00 0.00 N ATOM 419 CA ASN A 25 10.421 -4.319 -1.746 1.00 0.00 C ATOM 420 C ASN A 25 9.031 -4.323 -2.381 1.00 0.00 C ATOM 421 O ASN A 25 8.352 -5.350 -2.404 1.00 0.00 O ATOM 422 CB ASN A 25 10.721 -5.667 -1.082 1.00 0.00 C ATOM 423 CG ASN A 25 12.052 -5.630 -0.337 1.00 0.00 C ATOM 424 OD1 ASN A 25 13.105 -5.823 -0.935 1.00 0.00 O ATOM 425 ND2 ASN A 25 12.001 -5.382 0.972 1.00 0.00 N ATOM 0 H ASN A 25 10.338 -3.567 0.207 1.00 0.00 H new ATOM 0 HA ASN A 25 11.161 -4.148 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.920 -5.920 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.746 -6.451 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.862 -5.347 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.101 -5.227 1.427 1.00 0.00 H new ATOM 432 N TRP A 26 8.611 -3.163 -2.895 1.00 0.00 N ATOM 433 CA TRP A 26 7.301 -3.000 -3.508 1.00 0.00 C ATOM 434 C TRP A 26 7.120 -4.006 -4.637 1.00 0.00 C ATOM 435 O TRP A 26 6.084 -4.660 -4.720 1.00 0.00 O ATOM 436 CB TRP A 26 7.168 -1.565 -4.023 1.00 0.00 C ATOM 437 CG TRP A 26 7.676 -0.531 -3.069 1.00 0.00 C ATOM 438 CD1 TRP A 26 8.717 0.288 -3.287 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.201 -0.204 -1.729 1.00 0.00 C ATOM 440 NE1 TRP A 26 8.943 1.095 -2.201 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.028 0.834 -1.199 1.00 0.00 C ATOM 442 CE3 TRP A 26 6.160 -0.679 -0.896 1.00 0.00 C ATOM 443 CZ2 TRP A 26 7.840 1.367 0.077 1.00 0.00 C ATOM 444 CZ3 TRP A 26 5.965 -0.141 0.395 1.00 0.00 C ATOM 445 CH2 TRP A 26 6.805 0.877 0.879 1.00 0.00 C ATOM 0 H TRP A 26 9.175 -2.313 -2.895 1.00 0.00 H new ATOM 0 HA TRP A 26 6.521 -3.186 -2.770 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.710 -1.475 -4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.119 -1.362 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.299 0.309 -4.196 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.685 1.792 -2.141 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.507 -1.462 -1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.488 2.151 0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.164 -0.515 1.016 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.651 1.280 1.869 1.00 0.00 H new ATOM 456 N SER A 27 8.136 -4.125 -5.500 1.00 0.00 N ATOM 457 CA SER A 27 8.106 -5.040 -6.631 1.00 0.00 C ATOM 458 C SER A 27 7.680 -6.441 -6.191 1.00 0.00 C ATOM 459 O SER A 27 6.926 -7.102 -6.895 1.00 0.00 O ATOM 460 CB SER A 27 9.494 -5.079 -7.274 1.00 0.00 C ATOM 461 OG SER A 27 9.936 -3.759 -7.519 1.00 0.00 O ATOM 0 H SER A 27 8.999 -3.586 -5.428 1.00 0.00 H new ATOM 0 HA SER A 27 7.374 -4.687 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.196 -5.593 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.459 -5.641 -8.207 1.00 0.00 H new ATOM 0 HG SER A 27 10.826 -3.783 -7.929 1.00 0.00 H new ATOM 467 N LYS A 28 8.169 -6.892 -5.027 1.00 0.00 N ATOM 468 CA LYS A 28 7.849 -8.217 -4.517 1.00 0.00 C ATOM 469 C LYS A 28 6.447 -8.224 -3.902 1.00 0.00 C ATOM 470 O LYS A 28 5.670 -9.144 -4.159 1.00 0.00 O ATOM 471 CB LYS A 28 8.915 -8.624 -3.479 1.00 0.00 C ATOM 472 CG LYS A 28 8.583 -9.986 -2.829 1.00 0.00 C ATOM 473 CD LYS A 28 9.397 -11.120 -3.478 1.00 0.00 C ATOM 474 CE LYS A 28 8.992 -11.330 -4.945 1.00 0.00 C ATOM 475 NZ LYS A 28 7.534 -11.526 -5.090 1.00 0.00 N ATOM 0 H LYS A 28 8.789 -6.350 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 28 7.854 -8.940 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.891 -8.678 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.983 -7.858 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.797 -9.945 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.518 -10.193 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.460 -10.885 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.245 -12.044 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.303 -10.468 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.517 -12.197 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.300 -11.664 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.241 -12.364 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.034 -10.688 -4.730 1.00 0.00 H new ATOM 489 N ILE A 29 6.130 -7.210 -3.090 1.00 0.00 N ATOM 490 CA ILE A 29 4.840 -7.132 -2.413 1.00 0.00 C ATOM 491 C ILE A 29 3.694 -7.166 -3.427 1.00 0.00 C ATOM 492 O ILE A 29 2.828 -8.038 -3.348 1.00 0.00 O ATOM 493 CB ILE A 29 4.782 -5.851 -1.559 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.765 -5.969 -0.381 1.00 0.00 C ATOM 495 CG2 ILE A 29 3.358 -5.655 -1.016 1.00 0.00 C ATOM 496 CD1 ILE A 29 6.130 -4.577 0.141 1.00 0.00 C ATOM 0 H ILE A 29 6.756 -6.430 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 29 4.728 -7.996 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 29 5.056 -4.996 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.318 -6.560 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.665 -6.494 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.320 -4.748 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.660 -5.566 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.082 -6.512 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.826 -4.672 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.596 -4.000 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.228 -4.067 0.478 1.00 0.00 H new ATOM 508 N LEU A 30 3.679 -6.213 -4.373 1.00 0.00 N ATOM 509 CA LEU A 30 2.598 -6.118 -5.353 1.00 0.00 C ATOM 510 C LEU A 30 2.560 -7.345 -6.269 1.00 0.00 C ATOM 511 O LEU A 30 1.527 -7.618 -6.878 1.00 0.00 O ATOM 512 CB LEU A 30 2.724 -4.810 -6.158 1.00 0.00 C ATOM 513 CG LEU A 30 3.972 -4.820 -7.060 1.00 0.00 C ATOM 514 CD1 LEU A 30 3.598 -5.269 -8.478 1.00 0.00 C ATOM 515 CD2 LEU A 30 4.552 -3.403 -7.129 1.00 0.00 C ATOM 0 H LEU A 30 4.403 -5.502 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 30 1.649 -6.097 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.833 -4.671 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.776 -3.964 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 30 4.705 -5.512 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.489 -5.272 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.176 -6.273 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.862 -4.581 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.436 -3.402 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.806 -2.724 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.827 -3.073 -6.127 1.00 0.00 H new ATOM 527 N LEU A 31 3.674 -8.090 -6.370 1.00 0.00 N ATOM 528 CA LEU A 31 3.723 -9.285 -7.208 1.00 0.00 C ATOM 529 C LEU A 31 2.629 -10.255 -6.762 1.00 0.00 C ATOM 530 O LEU A 31 1.863 -10.754 -7.585 1.00 0.00 O ATOM 531 CB LEU A 31 5.113 -9.941 -7.095 1.00 0.00 C ATOM 532 CG LEU A 31 5.585 -10.518 -8.447 1.00 0.00 C ATOM 533 CD1 LEU A 31 4.508 -11.420 -9.058 1.00 0.00 C ATOM 534 CD2 LEU A 31 5.929 -9.383 -9.421 1.00 0.00 C ATOM 0 H LEU A 31 4.545 -7.882 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 31 3.553 -9.016 -8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.835 -9.205 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.080 -10.737 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 31 6.479 -11.115 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.862 -11.816 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.296 -12.245 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.599 -10.842 -9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.260 -9.805 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.046 -8.766 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.726 -8.770 -8.999 1.00 0.00 H new ATOM 546 N HIS A 32 2.561 -10.518 -5.451 1.00 0.00 N ATOM 547 CA HIS A 32 1.569 -11.420 -4.893 1.00 0.00 C ATOM 548 C HIS A 32 0.299 -10.643 -4.561 1.00 0.00 C ATOM 549 O HIS A 32 -0.791 -11.017 -4.991 1.00 0.00 O ATOM 550 CB HIS A 32 2.142 -12.086 -3.637 1.00 0.00 C ATOM 551 CG HIS A 32 3.447 -12.788 -3.901 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.518 -14.073 -4.427 1.00 0.00 N ATOM 553 CD2 HIS A 32 4.752 -12.409 -3.721 1.00 0.00 C ATOM 554 CE1 HIS A 32 4.828 -14.380 -4.529 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.638 -13.402 -4.113 1.00 0.00 N ATOM 0 H HIS A 32 3.191 -10.111 -4.759 1.00 0.00 H new ATOM 0 HA HIS A 32 1.320 -12.194 -5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.289 -11.331 -2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.419 -12.803 -3.248 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.732 -14.669 -4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.054 -11.452 -3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.187 -15.325 -4.910 1.00 0.00 H new ATOM 563 N TYR A 33 0.445 -9.560 -3.790 1.00 0.00 N ATOM 564 CA TYR A 33 -0.681 -8.743 -3.377 1.00 0.00 C ATOM 565 C TYR A 33 -0.944 -7.653 -4.412 1.00 0.00 C ATOM 566 O TYR A 33 -0.724 -6.472 -4.150 1.00 0.00 O ATOM 567 CB TYR A 33 -0.381 -8.141 -2.003 1.00 0.00 C ATOM 568 CG TYR A 33 -0.317 -9.178 -0.900 1.00 0.00 C ATOM 569 CD1 TYR A 33 -1.434 -9.993 -0.634 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.856 -9.326 -0.139 1.00 0.00 C ATOM 571 CE1 TYR A 33 -1.377 -10.950 0.392 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.910 -10.285 0.887 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.205 -11.095 1.153 1.00 0.00 C ATOM 574 OH TYR A 33 -0.152 -12.023 2.148 1.00 0.00 O ATOM 0 H TYR A 33 1.346 -9.234 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.580 -9.355 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.568 -7.607 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.149 -7.407 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.335 -9.882 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.715 -8.703 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.234 -11.575 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.811 -10.399 1.472 1.00 0.00 H new ATOM 0 HH TYR A 33 0.769 -12.342 2.249 1.00 0.00 H new ATOM 584 N LYS A 34 -1.421 -8.059 -5.592 1.00 0.00 N ATOM 585 CA LYS A 34 -1.727 -7.128 -6.664 1.00 0.00 C ATOM 586 C LYS A 34 -2.873 -6.209 -6.241 1.00 0.00 C ATOM 587 O LYS A 34 -3.988 -6.673 -6.006 1.00 0.00 O ATOM 588 CB LYS A 34 -2.101 -7.915 -7.920 1.00 0.00 C ATOM 589 CG LYS A 34 -2.240 -6.957 -9.110 1.00 0.00 C ATOM 590 CD LYS A 34 -2.545 -7.743 -10.389 1.00 0.00 C ATOM 591 CE LYS A 34 -3.971 -8.304 -10.335 1.00 0.00 C ATOM 592 NZ LYS A 34 -4.377 -8.839 -11.646 1.00 0.00 N ATOM 0 H LYS A 34 -1.602 -9.036 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.855 -6.511 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.338 -8.664 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.037 -8.450 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.037 -6.239 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.320 -6.386 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.433 -7.095 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.830 -8.557 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.028 -9.091 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.663 -7.520 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.346 -9.213 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.344 -8.080 -12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.729 -9.603 -11.925 1.00 0.00 H new ATOM 606 N PHE A 35 -2.593 -4.906 -6.147 1.00 0.00 N ATOM 607 CA PHE A 35 -3.591 -3.919 -5.765 1.00 0.00 C ATOM 608 C PHE A 35 -4.449 -3.548 -6.982 1.00 0.00 C ATOM 609 O PHE A 35 -4.346 -4.181 -8.032 1.00 0.00 O ATOM 610 CB PHE A 35 -2.877 -2.689 -5.198 1.00 0.00 C ATOM 611 CG PHE A 35 -1.938 -3.020 -4.055 1.00 0.00 C ATOM 612 CD1 PHE A 35 -2.455 -3.269 -2.771 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.549 -3.087 -4.278 1.00 0.00 C ATOM 614 CE1 PHE A 35 -1.588 -3.584 -1.712 1.00 0.00 C ATOM 615 CE2 PHE A 35 0.318 -3.402 -3.217 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.201 -3.650 -1.935 1.00 0.00 C ATOM 0 H PHE A 35 -1.670 -4.513 -6.334 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.252 -4.328 -5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.313 -2.204 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.621 -1.971 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.520 -3.218 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.150 -2.897 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.986 -3.776 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.383 -3.453 -3.387 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.466 -3.891 -1.120 1.00 0.00 H new ATOM 626 N ASN A 36 -5.297 -2.519 -6.836 1.00 0.00 N ATOM 627 CA ASN A 36 -6.174 -2.079 -7.915 1.00 0.00 C ATOM 628 C ASN A 36 -5.341 -1.524 -9.068 1.00 0.00 C ATOM 629 O ASN A 36 -5.266 -2.134 -10.133 1.00 0.00 O ATOM 630 CB ASN A 36 -7.141 -1.014 -7.385 1.00 0.00 C ATOM 631 CG ASN A 36 -8.150 -1.627 -6.422 1.00 0.00 C ATOM 632 OD1 ASN A 36 -9.081 -2.305 -6.849 1.00 0.00 O ATOM 633 ND2 ASN A 36 -7.965 -1.392 -5.124 1.00 0.00 N ATOM 0 H ASN A 36 -5.389 -1.979 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.752 -2.926 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.581 -0.228 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.665 -0.546 -8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.611 -1.782 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.177 -0.822 -4.816 1.00 0.00 H new ATOM 640 N ASN A 37 -4.718 -0.362 -8.852 1.00 0.00 N ATOM 641 CA ASN A 37 -3.891 0.279 -9.864 1.00 0.00 C ATOM 642 C ASN A 37 -2.865 1.172 -9.170 1.00 0.00 C ATOM 643 O ASN A 37 -2.730 2.350 -9.495 1.00 0.00 O ATOM 644 CB ASN A 37 -4.786 1.084 -10.817 1.00 0.00 C ATOM 645 CG ASN A 37 -3.996 1.596 -12.018 1.00 0.00 C ATOM 646 OD1 ASN A 37 -3.857 2.801 -12.207 1.00 0.00 O ATOM 647 ND2 ASN A 37 -3.479 0.675 -12.833 1.00 0.00 N ATOM 0 H ASN A 37 -4.775 0.154 -7.974 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.357 -0.466 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.610 0.459 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.226 1.926 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.943 0.962 -13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.620 -0.316 -12.637 1.00 0.00 H new ATOM 654 N ARG A 38 -2.147 0.599 -8.203 1.00 0.00 N ATOM 655 CA ARG A 38 -1.149 1.327 -7.440 1.00 0.00 C ATOM 656 C ARG A 38 0.178 1.348 -8.192 1.00 0.00 C ATOM 657 O ARG A 38 0.427 0.496 -9.044 1.00 0.00 O ATOM 658 CB ARG A 38 -0.985 0.660 -6.067 1.00 0.00 C ATOM 659 CG ARG A 38 -1.230 1.681 -4.958 1.00 0.00 C ATOM 660 CD ARG A 38 -2.720 2.047 -4.898 1.00 0.00 C ATOM 661 NE ARG A 38 -2.898 3.442 -4.484 1.00 0.00 N ATOM 662 CZ ARG A 38 -4.099 4.038 -4.388 1.00 0.00 C ATOM 663 NH1 ARG A 38 -5.227 3.329 -4.530 1.00 0.00 N ATOM 664 NH2 ARG A 38 -4.166 5.349 -4.145 1.00 0.00 N ATOM 0 H ARG A 38 -2.245 -0.380 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.473 2.359 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.686 -0.169 -5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.018 0.243 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.909 1.273 -4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.635 2.576 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.177 1.892 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.233 1.387 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.067 3.989 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.180 2.327 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.133 3.792 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.309 5.891 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.074 5.808 -4.071 1.00 0.00 H new ATOM 678 N THR A 39 1.029 2.330 -7.866 1.00 0.00 N ATOM 679 CA THR A 39 2.337 2.476 -8.489 1.00 0.00 C ATOM 680 C THR A 39 3.403 2.606 -7.403 1.00 0.00 C ATOM 681 O THR A 39 3.084 2.883 -6.246 1.00 0.00 O ATOM 682 CB THR A 39 2.335 3.709 -9.400 1.00 0.00 C ATOM 683 OG1 THR A 39 2.018 4.855 -8.641 1.00 0.00 O ATOM 684 CG2 THR A 39 1.301 3.534 -10.515 1.00 0.00 C ATOM 0 H THR A 39 0.824 3.041 -7.164 1.00 0.00 H new ATOM 0 HA THR A 39 2.561 1.598 -9.095 1.00 0.00 H new ATOM 0 HB THR A 39 3.324 3.826 -9.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.018 5.643 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.306 4.414 -11.158 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.549 2.652 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.311 3.411 -10.077 1.00 0.00 H new ATOM 692 N SER A 40 4.669 2.398 -7.781 1.00 0.00 N ATOM 693 CA SER A 40 5.788 2.463 -6.852 1.00 0.00 C ATOM 694 C SER A 40 5.770 3.770 -6.058 1.00 0.00 C ATOM 695 O SER A 40 5.915 3.752 -4.839 1.00 0.00 O ATOM 696 CB SER A 40 7.093 2.330 -7.638 1.00 0.00 C ATOM 697 OG SER A 40 7.035 1.183 -8.459 1.00 0.00 O ATOM 0 H SER A 40 4.940 2.180 -8.740 1.00 0.00 H new ATOM 0 HA SER A 40 5.705 1.645 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.254 3.219 -8.248 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.937 2.257 -6.952 1.00 0.00 H new ATOM 0 HG SER A 40 7.871 1.099 -8.964 1.00 0.00 H new ATOM 703 N VAL A 41 5.600 4.903 -6.749 1.00 0.00 N ATOM 704 CA VAL A 41 5.597 6.207 -6.101 1.00 0.00 C ATOM 705 C VAL A 41 4.465 6.295 -5.067 1.00 0.00 C ATOM 706 O VAL A 41 4.685 6.778 -3.958 1.00 0.00 O ATOM 707 CB VAL A 41 5.498 7.322 -7.164 1.00 0.00 C ATOM 708 CG1 VAL A 41 4.207 7.195 -7.982 1.00 0.00 C ATOM 709 CG2 VAL A 41 5.533 8.693 -6.482 1.00 0.00 C ATOM 0 H VAL A 41 5.463 4.936 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 41 6.534 6.343 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 41 6.347 7.221 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.165 7.994 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.190 6.230 -8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.346 7.271 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.463 9.477 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.694 8.778 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.468 8.802 -5.932 1.00 0.00 H new ATOM 719 N MET A 42 3.260 5.824 -5.420 1.00 0.00 N ATOM 720 CA MET A 42 2.124 5.871 -4.508 1.00 0.00 C ATOM 721 C MET A 42 2.421 5.029 -3.269 1.00 0.00 C ATOM 722 O MET A 42 2.218 5.485 -2.148 1.00 0.00 O ATOM 723 CB MET A 42 0.853 5.367 -5.218 1.00 0.00 C ATOM 724 CG MET A 42 -0.178 6.496 -5.298 1.00 0.00 C ATOM 725 SD MET A 42 0.276 7.834 -6.432 1.00 0.00 S ATOM 726 CE MET A 42 -0.420 7.164 -7.962 1.00 0.00 C ATOM 0 H MET A 42 3.054 5.409 -6.329 1.00 0.00 H new ATOM 0 HA MET A 42 1.955 6.902 -4.196 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.100 5.016 -6.220 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.435 4.518 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.135 6.078 -5.611 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.323 6.913 -4.301 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.029 7.721 -8.814 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.145 6.114 -8.058 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.506 7.253 -7.937 1.00 0.00 H new ATOM 736 N LEU A 43 2.900 3.799 -3.480 1.00 0.00 N ATOM 737 CA LEU A 43 3.212 2.887 -2.388 1.00 0.00 C ATOM 738 C LEU A 43 4.253 3.513 -1.456 1.00 0.00 C ATOM 739 O LEU A 43 4.090 3.482 -0.236 1.00 0.00 O ATOM 740 CB LEU A 43 3.725 1.562 -2.970 1.00 0.00 C ATOM 741 CG LEU A 43 2.604 0.859 -3.756 1.00 0.00 C ATOM 742 CD1 LEU A 43 3.214 -0.091 -4.783 1.00 0.00 C ATOM 743 CD2 LEU A 43 1.721 0.061 -2.801 1.00 0.00 C ATOM 0 H LEU A 43 3.079 3.415 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 43 2.313 2.694 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.576 1.749 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.077 0.915 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 43 2.002 1.613 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.418 -0.587 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.840 0.473 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.820 -0.839 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.930 -0.434 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.324 -0.688 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.277 0.734 -2.067 1.00 0.00 H new ATOM 755 N LYS A 44 5.321 4.079 -2.037 1.00 0.00 N ATOM 756 CA LYS A 44 6.385 4.711 -1.267 1.00 0.00 C ATOM 757 C LYS A 44 5.820 5.836 -0.404 1.00 0.00 C ATOM 758 O LYS A 44 5.886 5.775 0.824 1.00 0.00 O ATOM 759 CB LYS A 44 7.442 5.274 -2.224 1.00 0.00 C ATOM 760 CG LYS A 44 8.325 4.148 -2.761 1.00 0.00 C ATOM 761 CD LYS A 44 9.203 4.689 -3.894 1.00 0.00 C ATOM 762 CE LYS A 44 10.091 3.570 -4.443 1.00 0.00 C ATOM 763 NZ LYS A 44 10.954 4.064 -5.533 1.00 0.00 N ATOM 0 H LYS A 44 5.465 4.108 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 44 6.841 3.966 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.955 5.790 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.056 6.011 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.949 3.747 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.707 3.328 -3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.577 5.092 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.821 5.509 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.708 3.165 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.468 2.754 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.546 3.286 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.362 4.429 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.564 4.827 -5.175 1.00 0.00 H new ATOM 777 N ASP A 45 5.279 6.870 -1.058 1.00 0.00 N ATOM 778 CA ASP A 45 4.756 8.045 -0.373 1.00 0.00 C ATOM 779 C ASP A 45 3.730 7.650 0.686 1.00 0.00 C ATOM 780 O ASP A 45 3.745 8.191 1.791 1.00 0.00 O ATOM 781 CB ASP A 45 4.126 8.992 -1.403 1.00 0.00 C ATOM 782 CG ASP A 45 5.164 9.522 -2.392 1.00 0.00 C ATOM 783 OD1 ASP A 45 6.369 9.437 -2.063 1.00 0.00 O ATOM 784 OD2 ASP A 45 4.731 10.007 -3.458 1.00 0.00 O ATOM 0 H ASP A 45 5.194 6.911 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 45 5.576 8.553 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.340 8.468 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.654 9.828 -0.888 1.00 0.00 H new ATOM 789 N ARG A 46 2.834 6.714 0.357 1.00 0.00 N ATOM 790 CA ARG A 46 1.800 6.292 1.286 1.00 0.00 C ATOM 791 C ARG A 46 2.426 5.721 2.552 1.00 0.00 C ATOM 792 O ARG A 46 2.166 6.223 3.640 1.00 0.00 O ATOM 793 CB ARG A 46 0.882 5.261 0.611 1.00 0.00 C ATOM 794 CG ARG A 46 -0.015 4.555 1.647 1.00 0.00 C ATOM 795 CD ARG A 46 -0.918 5.571 2.368 1.00 0.00 C ATOM 796 NE ARG A 46 -1.576 4.962 3.532 1.00 0.00 N ATOM 797 CZ ARG A 46 -2.654 4.168 3.439 1.00 0.00 C ATOM 798 NH1 ARG A 46 -3.126 3.805 2.245 1.00 0.00 N ATOM 799 NH2 ARG A 46 -3.264 3.736 4.545 1.00 0.00 N ATOM 0 H ARG A 46 2.810 6.239 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 46 1.199 7.156 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.261 5.756 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.485 4.522 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.629 3.803 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.605 4.031 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.324 6.427 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.672 5.947 1.676 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.194 5.152 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.667 4.131 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.946 3.201 2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.911 4.009 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.083 3.133 4.473 1.00 0.00 H new ATOM 813 N TRP A 47 3.240 4.666 2.419 1.00 0.00 N ATOM 814 CA TRP A 47 3.839 4.024 3.580 1.00 0.00 C ATOM 815 C TRP A 47 4.654 5.033 4.385 1.00 0.00 C ATOM 816 O TRP A 47 4.641 4.996 5.613 1.00 0.00 O ATOM 817 CB TRP A 47 4.704 2.844 3.148 1.00 0.00 C ATOM 818 CG TRP A 47 5.075 1.928 4.275 1.00 0.00 C ATOM 819 CD1 TRP A 47 6.325 1.647 4.680 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.200 1.166 5.169 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.315 0.778 5.744 1.00 0.00 N ATOM 822 CE2 TRP A 47 5.020 0.444 6.095 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.797 1.005 5.301 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.484 -0.385 7.085 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.253 0.167 6.300 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.095 -0.525 7.188 1.00 0.00 C ATOM 0 H TRP A 47 3.493 4.247 1.524 1.00 0.00 H new ATOM 0 HA TRP A 47 3.042 3.644 4.220 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.172 2.273 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.615 3.222 2.684 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.219 2.051 4.229 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.150 0.427 6.212 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.135 1.530 4.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.136 -0.913 7.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.182 0.057 6.382 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.671 -1.164 7.949 1.00 0.00 H new ATOM 837 N ARG A 48 5.358 5.940 3.700 1.00 0.00 N ATOM 838 CA ARG A 48 6.146 6.961 4.371 1.00 0.00 C ATOM 839 C ARG A 48 5.233 7.801 5.268 1.00 0.00 C ATOM 840 O ARG A 48 5.542 8.016 6.439 1.00 0.00 O ATOM 841 CB ARG A 48 6.841 7.843 3.328 1.00 0.00 C ATOM 842 CG ARG A 48 7.960 7.056 2.633 1.00 0.00 C ATOM 843 CD ARG A 48 9.269 7.205 3.414 1.00 0.00 C ATOM 844 NE ARG A 48 10.352 6.443 2.774 1.00 0.00 N ATOM 845 CZ ARG A 48 11.005 6.865 1.675 1.00 0.00 C ATOM 846 NH1 ARG A 48 10.659 8.019 1.084 1.00 0.00 N ATOM 847 NH2 ARG A 48 12.003 6.129 1.170 1.00 0.00 N ATOM 0 H ARG A 48 5.394 5.982 2.681 1.00 0.00 H new ATOM 0 HA ARG A 48 6.909 6.491 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.116 8.187 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.254 8.730 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.686 6.003 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.092 7.419 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.545 8.258 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.129 6.856 4.437 1.00 0.00 H new ATOM 0 HE ARG A 48 10.622 5.549 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.898 8.580 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.157 8.335 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.267 5.251 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.500 6.446 0.337 1.00 0.00 H new ATOM 861 N THR A 49 4.105 8.269 4.714 1.00 0.00 N ATOM 862 CA THR A 49 3.153 9.091 5.457 1.00 0.00 C ATOM 863 C THR A 49 2.206 8.218 6.300 1.00 0.00 C ATOM 864 O THR A 49 1.189 8.712 6.783 1.00 0.00 O ATOM 865 CB THR A 49 2.356 9.964 4.476 1.00 0.00 C ATOM 866 OG1 THR A 49 1.721 9.150 3.511 1.00 0.00 O ATOM 867 CG2 THR A 49 3.296 10.948 3.775 1.00 0.00 C ATOM 0 H THR A 49 3.833 8.088 3.748 1.00 0.00 H new ATOM 0 HA THR A 49 3.705 9.733 6.143 1.00 0.00 H new ATOM 0 HB THR A 49 1.600 10.519 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.363 8.913 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.725 11.564 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.774 11.586 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.059 10.395 3.227 1.00 0.00 H new ATOM 875 N MET A 50 2.543 6.930 6.477 1.00 0.00 N ATOM 876 CA MET A 50 1.748 6.011 7.288 1.00 0.00 C ATOM 877 C MET A 50 2.575 5.550 8.489 1.00 0.00 C ATOM 878 O MET A 50 2.037 5.340 9.574 1.00 0.00 O ATOM 879 CB MET A 50 1.322 4.814 6.427 1.00 0.00 C ATOM 880 CG MET A 50 0.293 3.959 7.169 1.00 0.00 C ATOM 881 SD MET A 50 -1.305 4.777 7.415 1.00 0.00 S ATOM 882 CE MET A 50 -2.163 3.454 8.301 1.00 0.00 C ATOM 0 H MET A 50 3.371 6.504 6.061 1.00 0.00 H new ATOM 0 HA MET A 50 0.853 6.513 7.655 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.899 5.167 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.194 4.209 6.178 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.135 3.035 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 50 0.700 3.680 8.141 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.176 3.775 8.542 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.204 2.563 7.674 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.627 3.225 9.222 1.00 0.00 H new ATOM 892 N LYS A 51 3.890 5.390 8.286 1.00 0.00 N ATOM 893 CA LYS A 51 4.790 4.953 9.338 1.00 0.00 C ATOM 894 C LYS A 51 5.335 6.165 10.095 1.00 0.00 C ATOM 895 O LYS A 51 5.339 6.174 11.324 1.00 0.00 O ATOM 896 CB LYS A 51 5.929 4.133 8.709 1.00 0.00 C ATOM 897 CG LYS A 51 6.972 3.747 9.770 1.00 0.00 C ATOM 898 CD LYS A 51 6.312 2.959 10.908 1.00 0.00 C ATOM 899 CE LYS A 51 7.392 2.385 11.827 1.00 0.00 C ATOM 900 NZ LYS A 51 6.798 1.810 13.047 1.00 0.00 N ATOM 0 H LYS A 51 4.348 5.561 7.391 1.00 0.00 H new ATOM 0 HA LYS A 51 4.256 4.326 10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.523 3.233 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.405 4.711 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.760 3.148 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.445 4.645 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.645 3.609 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.701 2.154 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.955 1.618 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.099 3.170 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.552 1.428 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.281 2.550 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.142 1.046 12.787 1.00 0.00 H new ATOM 914 N LYS A 52 5.801 7.187 9.361 1.00 0.00 N ATOM 915 CA LYS A 52 6.354 8.385 9.977 1.00 0.00 C ATOM 916 C LYS A 52 5.222 9.263 10.503 1.00 0.00 C ATOM 917 O LYS A 52 5.256 9.691 11.654 1.00 0.00 O ATOM 918 CB LYS A 52 7.204 9.143 8.951 1.00 0.00 C ATOM 919 CG LYS A 52 7.928 10.310 9.636 1.00 0.00 C ATOM 920 CD LYS A 52 8.786 11.072 8.613 1.00 0.00 C ATOM 921 CE LYS A 52 10.105 10.330 8.353 1.00 0.00 C ATOM 922 NZ LYS A 52 10.985 10.369 9.536 1.00 0.00 N ATOM 0 H LYS A 52 5.802 7.200 8.341 1.00 0.00 H new ATOM 0 HA LYS A 52 6.991 8.107 10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.930 8.468 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.571 9.518 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.201 10.985 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.558 9.935 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.235 11.183 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.994 12.076 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.895 9.294 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.616 10.780 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.967 10.192 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.921 11.305 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.688 9.638 10.214 1.00 0.00 H new ATOM 936 N LEU A 53 4.225 9.527 9.650 1.00 0.00 N ATOM 937 CA LEU A 53 3.083 10.348 10.015 1.00 0.00 C ATOM 938 C LEU A 53 1.913 9.444 10.393 1.00 0.00 C ATOM 939 O LEU A 53 1.261 9.758 11.413 1.00 0.00 O ATOM 940 CB LEU A 53 2.723 11.254 8.831 1.00 0.00 C ATOM 941 CG LEU A 53 1.572 12.198 9.213 1.00 0.00 C ATOM 942 CD1 LEU A 53 1.856 13.597 8.660 1.00 0.00 C ATOM 943 CD2 LEU A 53 0.255 11.677 8.625 1.00 0.00 C ATOM 944 OXT LEU A 53 1.778 8.390 9.734 1.00 0.00 O ATOM 0 H LEU A 53 4.195 9.175 8.693 1.00 0.00 H new ATOM 0 HA LEU A 53 3.322 10.975 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.595 11.835 8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.435 10.646 7.974 1.00 0.00 H new ATOM 0 HG LEU A 53 1.489 12.242 10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.040 14.268 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.789 13.972 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.941 13.549 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.557 12.350 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.335 11.629 7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.050 10.681 9.018 1.00 0.00 H new TER 956 LEU A 53