USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 920 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 25 GLN : amide:sc= 0.601 K(o=1.5,f=0.66) USER MOD Set 1.2: A 58 SER OG : rot -100:sc= 0.861 USER MOD Single : A 3 TYR OH : rot -152:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 127:sc= 1.13 (180deg=-0.37) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.9 (180deg=1.42) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.121 (180deg=-0.554) USER MOD Single : A 36 SER OG : rot 42:sc= 0.427 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -155:sc= 0 (180deg=-0.773) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.489 USER MOD Single : A 51 TYR OH : rot -85:sc= 0.0068 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 1.56 (180deg=1.09) USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 1.28 (180deg=1.03) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00608 USER MOD Single : A 64 TYR OH : rot 169:sc= 0.634 USER MOD Single : A 65 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.65) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -140:sc= 0.214 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : B 70 LYS NZ :NH3+ 162:sc= -0.0936 (180deg=-0.394) USER MOD Single : B 75 THR OG1 : rot -70:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.927 12.715 -6.498 1.00 0.00 N ATOM 19 CA ALA A 2 9.249 12.233 -6.168 1.00 0.00 C ATOM 20 C ALA A 2 9.302 10.730 -6.381 1.00 0.00 C ATOM 21 O ALA A 2 10.107 10.227 -7.160 1.00 0.00 O ATOM 22 CB ALA A 2 9.613 12.598 -4.737 1.00 0.00 C ATOM 0 HA ALA A 2 9.981 12.708 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.612 12.226 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.595 13.682 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.894 12.148 -4.053 1.00 0.00 H new ATOM 28 N TYR A 3 8.422 10.025 -5.718 1.00 0.00 N ATOM 29 CA TYR A 3 8.327 8.599 -5.875 1.00 0.00 C ATOM 30 C TYR A 3 7.281 8.280 -6.912 1.00 0.00 C ATOM 31 O TYR A 3 6.227 8.918 -6.949 1.00 0.00 O ATOM 32 CB TYR A 3 8.001 7.902 -4.535 1.00 0.00 C ATOM 33 CG TYR A 3 9.120 7.950 -3.496 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.455 9.135 -2.853 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.841 6.803 -3.166 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.471 9.182 -1.919 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.861 6.840 -2.228 1.00 0.00 C ATOM 38 CZ TYR A 3 11.171 8.032 -1.609 1.00 0.00 C ATOM 39 OH TYR A 3 12.178 8.080 -0.661 1.00 0.00 O ATOM 0 H TYR A 3 7.754 10.422 -5.057 1.00 0.00 H new ATOM 0 HA TYR A 3 9.293 8.220 -6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.110 8.364 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.755 6.859 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.910 10.037 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.600 5.868 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.717 10.114 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.409 5.942 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 3 12.842 7.386 -0.854 1.00 0.00 H new ATOM 49 N PHE A 4 7.597 7.360 -7.786 1.00 0.00 N ATOM 50 CA PHE A 4 6.653 6.914 -8.790 1.00 0.00 C ATOM 51 C PHE A 4 5.775 5.834 -8.161 1.00 0.00 C ATOM 52 O PHE A 4 6.055 5.380 -7.045 1.00 0.00 O ATOM 53 CB PHE A 4 7.378 6.377 -10.034 1.00 0.00 C ATOM 54 CG PHE A 4 8.479 7.279 -10.522 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.202 8.385 -11.303 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.799 7.020 -10.176 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.220 9.214 -11.731 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.816 7.845 -10.596 1.00 0.00 C ATOM 59 CZ PHE A 4 10.531 8.942 -11.374 1.00 0.00 C ATOM 0 H PHE A 4 8.506 6.899 -7.826 1.00 0.00 H new ATOM 0 HA PHE A 4 6.039 7.752 -9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.796 5.397 -9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.653 6.236 -10.835 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.181 8.603 -11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.030 6.158 -9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.994 10.074 -12.344 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.837 7.631 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.328 9.591 -11.706 1.00 0.00 H new ATOM 69 N LEU A 5 4.746 5.406 -8.838 1.00 0.00 N ATOM 70 CA LEU A 5 3.828 4.488 -8.234 1.00 0.00 C ATOM 71 C LEU A 5 3.869 3.130 -8.925 1.00 0.00 C ATOM 72 O LEU A 5 3.938 3.055 -10.143 1.00 0.00 O ATOM 73 CB LEU A 5 2.429 5.104 -8.291 1.00 0.00 C ATOM 74 CG LEU A 5 1.285 4.304 -7.703 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.496 4.050 -6.214 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.006 5.042 -7.934 1.00 0.00 C ATOM 0 H LEU A 5 4.525 5.675 -9.797 1.00 0.00 H new ATOM 0 HA LEU A 5 4.109 4.314 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.464 6.066 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.194 5.308 -9.336 1.00 0.00 H new ATOM 0 HG LEU A 5 1.244 3.334 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.658 3.474 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.421 3.492 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.560 5.002 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.833 4.470 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.042 6.019 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.164 5.173 -9.005 1.00 0.00 H new ATOM 88 N ASP A 6 3.849 2.080 -8.142 1.00 0.00 N ATOM 89 CA ASP A 6 3.794 0.705 -8.654 1.00 0.00 C ATOM 90 C ASP A 6 2.687 -0.036 -7.966 1.00 0.00 C ATOM 91 O ASP A 6 2.400 0.215 -6.797 1.00 0.00 O ATOM 92 CB ASP A 6 5.098 -0.098 -8.440 1.00 0.00 C ATOM 93 CG ASP A 6 6.164 0.072 -9.497 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.954 -0.344 -10.645 1.00 0.00 O ATOM 95 OD2 ASP A 6 7.285 0.508 -9.166 1.00 0.00 O ATOM 0 H ASP A 6 3.870 2.140 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 6 3.632 0.793 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.522 0.186 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.843 -1.156 -8.377 1.00 0.00 H new ATOM 100 N PHE A 7 2.065 -0.922 -8.672 1.00 0.00 N ATOM 101 CA PHE A 7 1.032 -1.769 -8.115 1.00 0.00 C ATOM 102 C PHE A 7 1.196 -3.183 -8.587 1.00 0.00 C ATOM 103 O PHE A 7 1.518 -3.420 -9.746 1.00 0.00 O ATOM 104 CB PHE A 7 -0.370 -1.284 -8.488 1.00 0.00 C ATOM 105 CG PHE A 7 -1.045 -0.401 -7.475 1.00 0.00 C ATOM 106 CD1 PHE A 7 -0.876 0.970 -7.486 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.885 -0.957 -6.525 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.529 1.769 -6.566 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.537 -0.163 -5.604 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.361 1.201 -5.626 1.00 0.00 C ATOM 0 H PHE A 7 2.252 -1.089 -9.661 1.00 0.00 H new ATOM 0 HA PHE A 7 1.139 -1.722 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.308 -0.742 -9.432 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.002 -2.155 -8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.227 1.422 -8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.032 -2.027 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.387 2.839 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.185 -0.612 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.873 1.825 -4.909 1.00 0.00 H new ATOM 120 N ASP A 8 1.033 -4.103 -7.684 1.00 0.00 N ATOM 121 CA ASP A 8 0.992 -5.527 -8.001 1.00 0.00 C ATOM 122 C ASP A 8 -0.239 -5.818 -8.878 1.00 0.00 C ATOM 123 O ASP A 8 -1.264 -5.144 -8.729 1.00 0.00 O ATOM 124 CB ASP A 8 0.935 -6.322 -6.685 1.00 0.00 C ATOM 125 CG ASP A 8 0.444 -7.729 -6.855 1.00 0.00 C ATOM 126 OD1 ASP A 8 -0.776 -7.932 -6.804 1.00 0.00 O ATOM 127 OD2 ASP A 8 1.241 -8.635 -7.069 1.00 0.00 O ATOM 0 H ASP A 8 0.922 -3.899 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 8 1.883 -5.824 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.930 -6.344 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.284 -5.801 -5.983 1.00 0.00 H new ATOM 132 N GLU A 9 -0.131 -6.783 -9.805 1.00 0.00 N ATOM 133 CA GLU A 9 -1.243 -7.118 -10.717 1.00 0.00 C ATOM 134 C GLU A 9 -2.568 -7.420 -9.993 1.00 0.00 C ATOM 135 O GLU A 9 -3.638 -6.952 -10.418 1.00 0.00 O ATOM 136 CB GLU A 9 -0.909 -8.267 -11.666 1.00 0.00 C ATOM 137 CG GLU A 9 0.244 -8.012 -12.606 1.00 0.00 C ATOM 138 CD GLU A 9 0.351 -9.078 -13.664 1.00 0.00 C ATOM 139 OE1 GLU A 9 0.948 -10.144 -13.416 1.00 0.00 O ATOM 140 OE2 GLU A 9 -0.176 -8.871 -14.779 1.00 0.00 O ATOM 0 H GLU A 9 0.709 -7.344 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.383 -6.210 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.683 -9.153 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.795 -8.497 -12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.117 -7.040 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.173 -7.970 -12.038 1.00 0.00 H new ATOM 147 N ARG A 10 -2.521 -8.158 -8.898 1.00 0.00 N ATOM 148 CA ARG A 10 -3.746 -8.465 -8.195 1.00 0.00 C ATOM 149 C ARG A 10 -4.161 -7.357 -7.250 1.00 0.00 C ATOM 150 O ARG A 10 -5.337 -7.202 -6.937 1.00 0.00 O ATOM 151 CB ARG A 10 -3.825 -9.911 -7.610 1.00 0.00 C ATOM 152 CG ARG A 10 -2.617 -10.460 -6.831 1.00 0.00 C ATOM 153 CD ARG A 10 -2.497 -9.884 -5.438 1.00 0.00 C ATOM 154 NE ARG A 10 -3.645 -10.227 -4.603 1.00 0.00 N ATOM 155 CZ ARG A 10 -4.199 -9.411 -3.725 1.00 0.00 C ATOM 156 NH1 ARG A 10 -3.618 -8.239 -3.442 1.00 0.00 N ATOM 157 NH2 ARG A 10 -5.296 -9.779 -3.088 1.00 0.00 N ATOM 0 H ARG A 10 -1.671 -8.545 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.524 -8.492 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.691 -9.953 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.022 -10.592 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.699 -11.545 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.705 -10.243 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.585 -10.254 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.406 -8.800 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.046 -11.159 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.748 -7.976 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.046 -7.608 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.713 -10.691 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.726 -9.151 -2.409 1.00 0.00 H new ATOM 171 N ALA A 11 -3.196 -6.562 -6.845 1.00 0.00 N ATOM 172 CA ALA A 11 -3.443 -5.347 -6.053 1.00 0.00 C ATOM 173 C ALA A 11 -4.236 -4.311 -6.871 1.00 0.00 C ATOM 174 O ALA A 11 -5.024 -3.535 -6.317 1.00 0.00 O ATOM 175 CB ALA A 11 -2.146 -4.741 -5.550 1.00 0.00 C ATOM 0 H ALA A 11 -2.210 -6.728 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.039 -5.636 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.364 -3.845 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.626 -5.464 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.514 -4.478 -6.398 1.00 0.00 H new ATOM 181 N LEU A 12 -4.026 -4.314 -8.194 1.00 0.00 N ATOM 182 CA LEU A 12 -4.794 -3.469 -9.123 1.00 0.00 C ATOM 183 C LEU A 12 -6.273 -3.772 -8.942 1.00 0.00 C ATOM 184 O LEU A 12 -7.126 -2.886 -8.791 1.00 0.00 O ATOM 185 CB LEU A 12 -4.424 -3.806 -10.591 1.00 0.00 C ATOM 186 CG LEU A 12 -2.968 -3.621 -11.046 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.787 -4.194 -12.440 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.583 -2.161 -11.059 1.00 0.00 C ATOM 0 H LEU A 12 -3.324 -4.897 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.570 -2.423 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.697 -4.846 -10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.053 -3.195 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.326 -4.146 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.753 -4.060 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.029 -5.257 -12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.449 -3.677 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.548 -2.061 -11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.234 -1.619 -11.745 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.689 -1.748 -10.056 1.00 0.00 H new ATOM 200 N LYS A 13 -6.546 -5.041 -8.871 1.00 0.00 N ATOM 201 CA LYS A 13 -7.885 -5.551 -8.816 1.00 0.00 C ATOM 202 C LYS A 13 -8.489 -5.295 -7.436 1.00 0.00 C ATOM 203 O LYS A 13 -9.707 -5.238 -7.291 1.00 0.00 O ATOM 204 CB LYS A 13 -7.870 -7.049 -9.152 1.00 0.00 C ATOM 205 CG LYS A 13 -6.986 -7.399 -10.359 1.00 0.00 C ATOM 206 CD LYS A 13 -7.382 -6.631 -11.619 1.00 0.00 C ATOM 207 CE LYS A 13 -6.334 -6.783 -12.726 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.126 -8.186 -13.146 1.00 0.00 N ATOM 0 H LYS A 13 -5.829 -5.766 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.507 -5.038 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.520 -7.605 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.890 -7.379 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.945 -7.182 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.052 -8.469 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.346 -6.992 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.507 -5.575 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.641 -6.194 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.387 -6.371 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.406 -8.221 -13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.805 -8.748 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.020 -8.577 -13.506 1.00 0.00 H new ATOM 222 N GLU A 14 -7.623 -5.080 -6.455 1.00 0.00 N ATOM 223 CA GLU A 14 -8.020 -4.822 -5.085 1.00 0.00 C ATOM 224 C GLU A 14 -8.731 -3.497 -4.923 1.00 0.00 C ATOM 225 O GLU A 14 -9.758 -3.436 -4.263 1.00 0.00 O ATOM 226 CB GLU A 14 -6.832 -4.893 -4.140 1.00 0.00 C ATOM 227 CG GLU A 14 -6.270 -6.291 -3.940 1.00 0.00 C ATOM 228 CD GLU A 14 -7.187 -7.223 -3.158 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.333 -7.466 -3.577 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.749 -7.748 -2.100 1.00 0.00 O ATOM 0 H GLU A 14 -6.613 -5.081 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.727 -5.609 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.041 -4.248 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.130 -4.493 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.067 -6.733 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.315 -6.216 -3.419 1.00 0.00 H new ATOM 237 N TRP A 15 -8.238 -2.424 -5.561 1.00 0.00 N ATOM 238 CA TRP A 15 -8.926 -1.139 -5.377 1.00 0.00 C ATOM 239 C TRP A 15 -10.212 -1.168 -6.168 1.00 0.00 C ATOM 240 O TRP A 15 -11.183 -0.477 -5.866 1.00 0.00 O ATOM 241 CB TRP A 15 -8.065 0.115 -5.754 1.00 0.00 C ATOM 242 CG TRP A 15 -7.878 0.413 -7.238 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.812 0.922 -8.111 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.674 0.295 -7.992 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.270 1.071 -9.351 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.962 0.706 -9.309 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.388 -0.126 -7.692 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.011 0.702 -10.313 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.447 -0.123 -8.695 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.763 0.289 -9.988 1.00 0.00 C ATOM 0 H TRP A 15 -7.420 -2.414 -6.170 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.125 -1.027 -4.311 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.520 0.989 -5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.078 -0.006 -5.307 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.831 1.168 -7.850 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.766 1.403 -10.178 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.131 -0.449 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.254 1.016 -11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.440 -0.447 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.996 0.279 -10.748 1.00 0.00 H new ATOM 261 N ARG A 16 -10.205 -2.006 -7.171 1.00 0.00 N ATOM 262 CA ARG A 16 -11.324 -2.152 -8.059 1.00 0.00 C ATOM 263 C ARG A 16 -12.472 -2.950 -7.435 1.00 0.00 C ATOM 264 O ARG A 16 -13.625 -2.815 -7.858 1.00 0.00 O ATOM 265 CB ARG A 16 -10.854 -2.778 -9.349 1.00 0.00 C ATOM 266 CG ARG A 16 -9.804 -1.941 -10.031 1.00 0.00 C ATOM 267 CD ARG A 16 -9.269 -2.578 -11.293 1.00 0.00 C ATOM 268 NE ARG A 16 -10.319 -3.098 -12.179 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.181 -3.311 -13.492 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.088 -2.891 -14.136 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.148 -3.923 -14.158 1.00 0.00 N ATOM 0 H ARG A 16 -9.415 -2.611 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.729 -1.161 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.451 -3.770 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.704 -2.910 -10.019 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.226 -0.966 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.979 -1.769 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.676 -1.843 -11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.597 -3.392 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.224 -3.313 -11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.351 -2.404 -13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.991 -3.058 -15.138 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.990 -4.228 -13.669 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.051 -4.090 -15.160 1.00 0.00 H new ATOM 285 N LYS A 17 -12.173 -3.759 -6.432 1.00 0.00 N ATOM 286 CA LYS A 17 -13.200 -4.566 -5.780 1.00 0.00 C ATOM 287 C LYS A 17 -13.750 -3.905 -4.517 1.00 0.00 C ATOM 288 O LYS A 17 -14.740 -4.375 -3.944 1.00 0.00 O ATOM 289 CB LYS A 17 -12.711 -6.031 -5.536 1.00 0.00 C ATOM 290 CG LYS A 17 -11.361 -6.163 -4.821 1.00 0.00 C ATOM 291 CD LYS A 17 -11.425 -5.979 -3.306 1.00 0.00 C ATOM 292 CE LYS A 17 -11.789 -7.270 -2.588 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.779 -8.335 -2.835 1.00 0.00 N ATOM 0 H LYS A 17 -11.234 -3.877 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.043 -4.628 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.466 -6.555 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.645 -6.539 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.944 -7.147 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.672 -5.427 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.461 -5.622 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.160 -5.211 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.867 -7.082 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.768 -7.611 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.450 -8.719 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.208 -9.097 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.972 -7.934 -3.354 1.00 0.00 H new ATOM 307 N LEU A 18 -13.150 -2.808 -4.106 1.00 0.00 N ATOM 308 CA LEU A 18 -13.592 -2.130 -2.899 1.00 0.00 C ATOM 309 C LEU A 18 -14.364 -0.847 -3.207 1.00 0.00 C ATOM 310 O LEU A 18 -14.369 -0.377 -4.352 1.00 0.00 O ATOM 311 CB LEU A 18 -12.429 -1.931 -1.890 1.00 0.00 C ATOM 312 CG LEU A 18 -11.141 -1.258 -2.397 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.301 0.235 -2.613 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.986 -1.546 -1.463 1.00 0.00 C ATOM 0 H LEU A 18 -12.363 -2.368 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.308 -2.784 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.808 -1.341 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.160 -2.910 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.924 -1.691 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.360 0.654 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.082 0.414 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.576 0.711 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.085 -1.062 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.217 -1.162 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.823 -2.622 -1.407 1.00 0.00 H new ATOM 326 N GLY A 19 -15.017 -0.312 -2.188 1.00 0.00 N ATOM 327 CA GLY A 19 -15.861 0.861 -2.325 1.00 0.00 C ATOM 328 C GLY A 19 -15.126 2.120 -2.760 1.00 0.00 C ATOM 329 O GLY A 19 -13.934 2.316 -2.441 1.00 0.00 O ATOM 0 H GLY A 19 -14.975 -0.682 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.646 0.645 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.352 1.053 -1.371 1.00 0.00 H new ATOM 333 N SER A 20 -15.848 2.985 -3.441 1.00 0.00 N ATOM 334 CA SER A 20 -15.318 4.216 -3.979 1.00 0.00 C ATOM 335 C SER A 20 -14.834 5.156 -2.873 1.00 0.00 C ATOM 336 O SER A 20 -13.765 5.744 -2.983 1.00 0.00 O ATOM 337 CB SER A 20 -16.379 4.884 -4.832 1.00 0.00 C ATOM 338 OG SER A 20 -16.840 3.982 -5.824 1.00 0.00 O ATOM 0 H SER A 20 -16.839 2.847 -3.639 1.00 0.00 H new ATOM 0 HA SER A 20 -14.450 3.982 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.211 5.206 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.970 5.778 -5.303 1.00 0.00 H new ATOM 0 HG SER A 20 -17.526 4.419 -6.370 1.00 0.00 H new ATOM 344 N THR A 21 -15.586 5.230 -1.785 1.00 0.00 N ATOM 345 CA THR A 21 -15.245 6.092 -0.666 1.00 0.00 C ATOM 346 C THR A 21 -13.906 5.668 -0.051 1.00 0.00 C ATOM 347 O THR A 21 -13.094 6.495 0.356 1.00 0.00 O ATOM 348 CB THR A 21 -16.367 6.042 0.390 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.615 6.372 -0.253 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.109 7.028 1.519 1.00 0.00 C ATOM 0 H THR A 21 -16.445 4.697 -1.654 1.00 0.00 H new ATOM 0 HA THR A 21 -15.144 7.116 -1.025 1.00 0.00 H new ATOM 0 HB THR A 21 -16.402 5.040 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.340 6.343 0.406 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.918 6.968 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.165 6.785 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.059 8.039 1.115 1.00 0.00 H new ATOM 358 N VAL A 22 -13.671 4.387 -0.059 1.00 0.00 N ATOM 359 CA VAL A 22 -12.458 3.816 0.458 1.00 0.00 C ATOM 360 C VAL A 22 -11.264 4.221 -0.420 1.00 0.00 C ATOM 361 O VAL A 22 -10.267 4.748 0.079 1.00 0.00 O ATOM 362 CB VAL A 22 -12.570 2.266 0.523 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.284 1.631 1.020 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.743 1.847 1.401 1.00 0.00 C ATOM 0 H VAL A 22 -14.326 3.699 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.300 4.197 1.467 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.746 1.909 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.402 0.548 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.467 1.888 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.059 2.001 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.803 0.759 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.598 2.232 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.668 2.250 0.989 1.00 0.00 H new ATOM 374 N ARG A 23 -11.401 4.034 -1.728 1.00 0.00 N ATOM 375 CA ARG A 23 -10.296 4.302 -2.642 1.00 0.00 C ATOM 376 C ARG A 23 -9.987 5.790 -2.788 1.00 0.00 C ATOM 377 O ARG A 23 -8.856 6.148 -3.073 1.00 0.00 O ATOM 378 CB ARG A 23 -10.478 3.629 -4.011 1.00 0.00 C ATOM 379 CG ARG A 23 -11.663 4.116 -4.812 1.00 0.00 C ATOM 380 CD ARG A 23 -11.776 3.377 -6.128 1.00 0.00 C ATOM 381 NE ARG A 23 -12.890 3.865 -6.934 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.304 3.331 -8.088 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.683 2.264 -8.595 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.329 3.866 -8.725 1.00 0.00 N ATOM 0 H ARG A 23 -12.255 3.702 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.423 3.845 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.573 3.785 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.578 2.554 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.577 3.977 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.564 5.185 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.847 3.489 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.906 2.312 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.395 4.681 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.890 1.853 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.001 1.859 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.801 4.683 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.649 3.463 -9.606 1.00 0.00 H new ATOM 398 N GLU A 24 -10.972 6.656 -2.583 1.00 0.00 N ATOM 399 CA GLU A 24 -10.708 8.084 -2.656 1.00 0.00 C ATOM 400 C GLU A 24 -9.839 8.518 -1.492 1.00 0.00 C ATOM 401 O GLU A 24 -8.890 9.306 -1.671 1.00 0.00 O ATOM 402 CB GLU A 24 -11.981 8.924 -2.735 1.00 0.00 C ATOM 403 CG GLU A 24 -12.801 8.671 -3.984 1.00 0.00 C ATOM 404 CD GLU A 24 -13.855 9.720 -4.198 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.531 10.779 -4.805 1.00 0.00 O ATOM 406 OE2 GLU A 24 -15.019 9.532 -3.772 1.00 0.00 O ATOM 0 H GLU A 24 -11.937 6.402 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.171 8.261 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.596 8.718 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.712 9.980 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.140 8.642 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.275 7.692 -3.912 1.00 0.00 H new ATOM 413 N GLN A 25 -10.127 7.954 -0.318 1.00 0.00 N ATOM 414 CA GLN A 25 -9.353 8.226 0.887 1.00 0.00 C ATOM 415 C GLN A 25 -7.929 7.725 0.696 1.00 0.00 C ATOM 416 O GLN A 25 -6.953 8.425 1.016 1.00 0.00 O ATOM 417 CB GLN A 25 -9.973 7.528 2.103 1.00 0.00 C ATOM 418 CG GLN A 25 -11.387 7.961 2.457 1.00 0.00 C ATOM 419 CD GLN A 25 -11.932 7.189 3.640 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.766 7.582 4.801 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.594 6.106 3.359 1.00 0.00 N ATOM 0 H GLN A 25 -10.898 7.301 -0.179 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.354 9.302 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.976 6.453 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.331 7.703 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.395 9.027 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.039 7.814 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.709 5.816 2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.999 5.546 4.110 1.00 0.00 H new ATOM 430 N LEU A 26 -7.822 6.523 0.144 1.00 0.00 N ATOM 431 CA LEU A 26 -6.543 5.895 -0.133 1.00 0.00 C ATOM 432 C LEU A 26 -5.698 6.737 -1.072 1.00 0.00 C ATOM 433 O LEU A 26 -4.532 6.925 -0.827 1.00 0.00 O ATOM 434 CB LEU A 26 -6.733 4.490 -0.713 1.00 0.00 C ATOM 435 CG LEU A 26 -7.391 3.461 0.209 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.638 2.168 -0.534 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.525 3.202 1.436 1.00 0.00 C ATOM 0 H LEU A 26 -8.626 5.956 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.015 5.812 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.334 4.572 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.757 4.108 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.348 3.865 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.106 1.447 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.296 2.356 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.690 1.767 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.013 2.467 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.553 2.821 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.389 4.132 1.988 1.00 0.00 H new ATOM 449 N LYS A 27 -6.310 7.285 -2.114 1.00 0.00 N ATOM 450 CA LYS A 27 -5.576 8.083 -3.094 1.00 0.00 C ATOM 451 C LYS A 27 -5.022 9.384 -2.505 1.00 0.00 C ATOM 452 O LYS A 27 -3.989 9.883 -2.960 1.00 0.00 O ATOM 453 CB LYS A 27 -6.396 8.350 -4.364 1.00 0.00 C ATOM 454 CG LYS A 27 -6.717 7.097 -5.181 1.00 0.00 C ATOM 455 CD LYS A 27 -7.428 7.429 -6.497 1.00 0.00 C ATOM 456 CE LYS A 27 -6.537 8.244 -7.427 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.196 8.560 -8.710 1.00 0.00 N ATOM 0 H LYS A 27 -7.308 7.194 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.718 7.476 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.331 8.836 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.849 9.051 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.794 6.559 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.345 6.431 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.725 6.505 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.341 7.986 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.252 9.172 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.618 7.691 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.482 8.868 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.682 7.713 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.889 9.322 -8.566 1.00 0.00 H new ATOM 471 N LYS A 28 -5.689 9.928 -1.490 1.00 0.00 N ATOM 472 CA LYS A 28 -5.188 11.130 -0.813 1.00 0.00 C ATOM 473 C LYS A 28 -3.897 10.810 -0.063 1.00 0.00 C ATOM 474 O LYS A 28 -2.921 11.572 -0.086 1.00 0.00 O ATOM 475 CB LYS A 28 -6.228 11.716 0.164 1.00 0.00 C ATOM 476 CG LYS A 28 -7.133 12.863 -0.356 1.00 0.00 C ATOM 477 CD LYS A 28 -8.141 12.480 -1.455 1.00 0.00 C ATOM 478 CE LYS A 28 -7.513 12.296 -2.833 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.541 12.059 -3.872 1.00 0.00 N ATOM 0 H LYS A 28 -6.567 9.564 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.991 11.880 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.873 10.903 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.696 12.080 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.685 13.275 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.494 13.659 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.642 11.555 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.908 13.252 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.932 13.182 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.819 11.456 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.079 11.938 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.079 11.200 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.188 12.872 -3.912 1.00 0.00 H new ATOM 493 N LYS A 29 -3.880 9.668 0.558 1.00 0.00 N ATOM 494 CA LYS A 29 -2.734 9.238 1.315 1.00 0.00 C ATOM 495 C LYS A 29 -1.617 8.797 0.394 1.00 0.00 C ATOM 496 O LYS A 29 -0.453 8.933 0.702 1.00 0.00 O ATOM 497 CB LYS A 29 -3.157 8.147 2.255 1.00 0.00 C ATOM 498 CG LYS A 29 -4.230 8.640 3.185 1.00 0.00 C ATOM 499 CD LYS A 29 -4.755 7.561 4.060 1.00 0.00 C ATOM 500 CE LYS A 29 -5.743 8.132 5.045 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.123 9.133 5.948 1.00 0.00 N ATOM 0 H LYS A 29 -4.657 9.007 0.556 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.341 10.069 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.524 7.292 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.298 7.802 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.831 9.444 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.048 9.062 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.235 6.792 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.934 7.081 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.567 8.596 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.168 7.324 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.694 9.221 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.161 8.826 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.079 10.054 5.467 1.00 0.00 H new ATOM 515 N LEU A 30 -1.985 8.318 -0.755 1.00 0.00 N ATOM 516 CA LEU A 30 -1.021 7.920 -1.750 1.00 0.00 C ATOM 517 C LEU A 30 -0.351 9.132 -2.384 1.00 0.00 C ATOM 518 O LEU A 30 0.806 9.083 -2.750 1.00 0.00 O ATOM 519 CB LEU A 30 -1.633 7.012 -2.817 1.00 0.00 C ATOM 520 CG LEU A 30 -2.103 5.628 -2.350 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.743 4.868 -3.502 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.937 4.831 -1.773 1.00 0.00 C ATOM 0 H LEU A 30 -2.958 8.190 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.256 7.339 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.484 7.530 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.898 6.873 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.848 5.766 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.071 3.888 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.602 5.427 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.016 4.743 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.291 3.853 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.170 4.704 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.516 5.366 -0.922 1.00 0.00 H new ATOM 534 N VAL A 31 -1.054 10.239 -2.470 1.00 0.00 N ATOM 535 CA VAL A 31 -0.458 11.415 -3.069 1.00 0.00 C ATOM 536 C VAL A 31 0.509 12.096 -2.090 1.00 0.00 C ATOM 537 O VAL A 31 1.392 12.855 -2.500 1.00 0.00 O ATOM 538 CB VAL A 31 -1.508 12.421 -3.671 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.324 13.124 -2.617 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.855 13.420 -4.617 1.00 0.00 C ATOM 0 H VAL A 31 -2.014 10.351 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 31 0.118 11.068 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.204 11.814 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.029 13.803 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.872 12.387 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.662 13.691 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.613 14.097 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.102 13.994 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.382 12.885 -5.441 1.00 0.00 H new ATOM 550 N GLU A 32 0.376 11.803 -0.794 1.00 0.00 N ATOM 551 CA GLU A 32 1.294 12.377 0.173 1.00 0.00 C ATOM 552 C GLU A 32 2.446 11.406 0.406 1.00 0.00 C ATOM 553 O GLU A 32 3.559 11.803 0.783 1.00 0.00 O ATOM 554 CB GLU A 32 0.584 12.737 1.494 1.00 0.00 C ATOM 555 CG GLU A 32 0.046 11.552 2.273 1.00 0.00 C ATOM 556 CD GLU A 32 -0.707 11.951 3.525 1.00 0.00 C ATOM 557 OE1 GLU A 32 -0.161 12.694 4.355 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.886 11.568 3.676 1.00 0.00 O ATOM 0 H GLU A 32 -0.339 11.189 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 32 1.688 13.311 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.283 13.283 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.242 13.413 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.615 10.972 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.875 10.900 2.548 1.00 0.00 H new ATOM 565 N VAL A 33 2.179 10.138 0.123 1.00 0.00 N ATOM 566 CA VAL A 33 3.125 9.069 0.344 1.00 0.00 C ATOM 567 C VAL A 33 4.214 9.102 -0.727 1.00 0.00 C ATOM 568 O VAL A 33 5.325 8.690 -0.495 1.00 0.00 O ATOM 569 CB VAL A 33 2.409 7.674 0.371 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.252 7.030 -0.998 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.071 6.747 1.320 1.00 0.00 C ATOM 0 H VAL A 33 1.290 9.827 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 33 3.589 9.218 1.319 1.00 0.00 H new ATOM 0 HB VAL A 33 1.397 7.875 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.748 6.069 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.660 7.682 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.235 6.877 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.551 5.789 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.108 6.598 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.041 7.171 2.324 1.00 0.00 H new ATOM 581 N LEU A 34 3.891 9.665 -1.876 1.00 0.00 N ATOM 582 CA LEU A 34 4.852 9.753 -2.980 1.00 0.00 C ATOM 583 C LEU A 34 5.881 10.848 -2.719 1.00 0.00 C ATOM 584 O LEU A 34 6.841 11.027 -3.479 1.00 0.00 O ATOM 585 CB LEU A 34 4.143 9.973 -4.319 1.00 0.00 C ATOM 586 CG LEU A 34 3.193 8.859 -4.779 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.564 9.222 -6.105 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.921 7.533 -4.905 1.00 0.00 C ATOM 0 H LEU A 34 2.976 10.069 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 34 5.379 8.801 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.576 10.902 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.902 10.114 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 34 2.413 8.753 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.892 8.423 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.001 10.149 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.345 9.356 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.222 6.764 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.725 7.627 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.340 7.255 -3.938 1.00 0.00 H new ATOM 600 N GLU A 35 5.658 11.580 -1.656 1.00 0.00 N ATOM 601 CA GLU A 35 6.558 12.596 -1.217 1.00 0.00 C ATOM 602 C GLU A 35 7.458 12.004 -0.126 1.00 0.00 C ATOM 603 O GLU A 35 8.664 12.239 -0.096 1.00 0.00 O ATOM 604 CB GLU A 35 5.758 13.770 -0.670 1.00 0.00 C ATOM 605 CG GLU A 35 6.581 14.990 -0.334 1.00 0.00 C ATOM 606 CD GLU A 35 7.265 15.548 -1.542 1.00 0.00 C ATOM 607 OE1 GLU A 35 6.582 16.137 -2.399 1.00 0.00 O ATOM 608 OE2 GLU A 35 8.490 15.411 -1.662 1.00 0.00 O ATOM 0 H GLU A 35 4.831 11.479 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 35 7.174 12.950 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.001 14.049 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.230 13.446 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.938 15.753 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.326 14.730 0.418 1.00 0.00 H new ATOM 615 N SER A 36 6.863 11.201 0.732 1.00 0.00 N ATOM 616 CA SER A 36 7.571 10.565 1.822 1.00 0.00 C ATOM 617 C SER A 36 6.808 9.320 2.270 1.00 0.00 C ATOM 618 O SER A 36 5.807 9.424 2.984 1.00 0.00 O ATOM 619 CB SER A 36 7.771 11.553 2.989 1.00 0.00 C ATOM 620 OG SER A 36 6.527 12.116 3.418 1.00 0.00 O ATOM 0 H SER A 36 5.870 10.971 0.692 1.00 0.00 H new ATOM 0 HA SER A 36 8.560 10.260 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.247 11.039 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.446 12.351 2.680 1.00 0.00 H new ATOM 0 HG SER A 36 5.842 11.416 3.441 1.00 0.00 H new ATOM 626 N PRO A 37 7.215 8.140 1.801 1.00 0.00 N ATOM 627 CA PRO A 37 6.525 6.908 2.104 1.00 0.00 C ATOM 628 C PRO A 37 7.069 6.157 3.324 1.00 0.00 C ATOM 629 O PRO A 37 6.552 5.104 3.687 1.00 0.00 O ATOM 630 CB PRO A 37 6.739 6.103 0.831 1.00 0.00 C ATOM 631 CG PRO A 37 8.083 6.526 0.332 1.00 0.00 C ATOM 632 CD PRO A 37 8.336 7.916 0.867 1.00 0.00 C ATOM 0 HA PRO A 37 5.484 7.086 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.711 5.032 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.961 6.311 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.855 5.836 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.109 6.522 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.299 7.981 1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.346 8.657 0.068 1.00 0.00 H new ATOM 640 N ARG A 38 8.077 6.688 3.958 1.00 0.00 N ATOM 641 CA ARG A 38 8.663 6.018 5.090 1.00 0.00 C ATOM 642 C ARG A 38 8.075 6.525 6.371 1.00 0.00 C ATOM 643 O ARG A 38 8.480 7.553 6.912 1.00 0.00 O ATOM 644 CB ARG A 38 10.189 6.086 5.080 1.00 0.00 C ATOM 645 CG ARG A 38 10.789 5.334 3.912 1.00 0.00 C ATOM 646 CD ARG A 38 12.291 5.494 3.826 1.00 0.00 C ATOM 647 NE ARG A 38 12.685 6.875 3.514 1.00 0.00 N ATOM 648 CZ ARG A 38 13.461 7.241 2.478 1.00 0.00 C ATOM 649 NH1 ARG A 38 13.921 6.335 1.621 1.00 0.00 N ATOM 650 NH2 ARG A 38 13.785 8.508 2.320 1.00 0.00 N ATOM 0 H ARG A 38 8.510 7.579 3.713 1.00 0.00 H new ATOM 0 HA ARG A 38 8.414 4.960 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.504 7.129 5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.575 5.673 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.545 4.276 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.336 5.688 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.741 5.194 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.683 4.824 3.060 1.00 0.00 H new ATOM 0 HE ARG A 38 12.344 7.613 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.686 5.350 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.509 6.625 0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.448 9.207 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.373 8.790 1.536 1.00 0.00 H new ATOM 664 N ILE A 39 7.052 5.848 6.801 1.00 0.00 N ATOM 665 CA ILE A 39 6.384 6.170 8.016 1.00 0.00 C ATOM 666 C ILE A 39 6.742 5.105 9.028 1.00 0.00 C ATOM 667 O ILE A 39 6.061 4.089 9.152 1.00 0.00 O ATOM 668 CB ILE A 39 4.851 6.244 7.804 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.552 7.178 6.615 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.166 6.753 9.078 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.108 7.220 6.182 1.00 0.00 C ATOM 0 H ILE A 39 6.657 5.047 6.308 1.00 0.00 H new ATOM 0 HA ILE A 39 6.699 7.151 8.373 1.00 0.00 H new ATOM 0 HB ILE A 39 4.462 5.250 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.866 8.188 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.161 6.866 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.089 6.801 8.918 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.380 6.073 9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.541 7.747 9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.000 7.904 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.789 6.222 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.489 7.564 7.011 1.00 0.00 H new ATOM 683 N GLU A 40 7.843 5.333 9.723 1.00 0.00 N ATOM 684 CA GLU A 40 8.454 4.365 10.656 1.00 0.00 C ATOM 685 C GLU A 40 7.569 3.985 11.857 1.00 0.00 C ATOM 686 O GLU A 40 7.940 3.149 12.674 1.00 0.00 O ATOM 687 CB GLU A 40 9.818 4.872 11.105 1.00 0.00 C ATOM 688 CG GLU A 40 9.791 6.230 11.775 1.00 0.00 C ATOM 689 CD GLU A 40 11.172 6.756 12.029 1.00 0.00 C ATOM 690 OE1 GLU A 40 11.759 6.445 13.076 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.691 7.484 11.180 1.00 0.00 O ATOM 0 H GLU A 40 8.358 6.211 9.663 1.00 0.00 H new ATOM 0 HA GLU A 40 8.571 3.435 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.252 4.148 11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.477 4.921 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.244 6.934 11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.251 6.158 12.719 1.00 0.00 H new ATOM 698 N ALA A 41 6.408 4.559 11.932 1.00 0.00 N ATOM 699 CA ALA A 41 5.471 4.245 12.984 1.00 0.00 C ATOM 700 C ALA A 41 4.564 3.099 12.542 1.00 0.00 C ATOM 701 O ALA A 41 4.016 2.371 13.360 1.00 0.00 O ATOM 702 CB ALA A 41 4.643 5.474 13.339 1.00 0.00 C ATOM 0 H ALA A 41 6.076 5.260 11.269 1.00 0.00 H new ATOM 0 HA ALA A 41 6.023 3.936 13.872 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.941 5.222 14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.303 6.272 13.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.092 5.808 12.460 1.00 0.00 H new ATOM 708 N ASN A 42 4.449 2.936 11.229 1.00 0.00 N ATOM 709 CA ASN A 42 3.571 1.937 10.641 1.00 0.00 C ATOM 710 C ASN A 42 4.350 0.860 9.919 1.00 0.00 C ATOM 711 O ASN A 42 3.798 0.159 9.074 1.00 0.00 O ATOM 712 CB ASN A 42 2.649 2.616 9.648 1.00 0.00 C ATOM 713 CG ASN A 42 1.655 3.547 10.283 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.150 3.302 11.373 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.403 4.640 9.632 1.00 0.00 N ATOM 0 H ASN A 42 4.962 3.493 10.545 1.00 0.00 H new ATOM 0 HA ASN A 42 3.006 1.469 11.447 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.250 3.175 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.111 1.853 9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.765 5.332 10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.843 4.808 8.727 1.00 0.00 H new ATOM 722 N LYS A 43 5.619 0.727 10.224 1.00 0.00 N ATOM 723 CA LYS A 43 6.412 -0.309 9.599 1.00 0.00 C ATOM 724 C LYS A 43 6.127 -1.663 10.231 1.00 0.00 C ATOM 725 O LYS A 43 6.187 -1.817 11.458 1.00 0.00 O ATOM 726 CB LYS A 43 7.902 0.047 9.560 1.00 0.00 C ATOM 727 CG LYS A 43 8.545 0.390 10.887 1.00 0.00 C ATOM 728 CD LYS A 43 9.998 0.781 10.672 1.00 0.00 C ATOM 729 CE LYS A 43 10.636 1.273 11.951 1.00 0.00 C ATOM 730 NZ LYS A 43 12.045 1.672 11.746 1.00 0.00 N ATOM 0 H LYS A 43 6.121 1.313 10.891 1.00 0.00 H new ATOM 0 HA LYS A 43 6.111 -0.383 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.443 -0.793 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.034 0.894 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.005 1.209 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.485 -0.464 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.554 -0.077 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.057 1.560 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.071 2.122 12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.587 0.489 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.447 2.003 12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.591 0.856 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.090 2.438 11.044 1.00 0.00 H new ATOM 744 N LEU A 44 5.815 -2.619 9.380 1.00 0.00 N ATOM 745 CA LEU A 44 5.354 -3.938 9.763 1.00 0.00 C ATOM 746 C LEU A 44 6.325 -4.664 10.673 1.00 0.00 C ATOM 747 O LEU A 44 7.551 -4.513 10.564 1.00 0.00 O ATOM 748 CB LEU A 44 5.101 -4.783 8.524 1.00 0.00 C ATOM 749 CG LEU A 44 4.100 -4.234 7.510 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.948 -5.201 6.351 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.757 -3.967 8.165 1.00 0.00 C ATOM 0 H LEU A 44 5.877 -2.495 8.369 1.00 0.00 H new ATOM 0 HA LEU A 44 4.429 -3.793 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.053 -4.933 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.754 -5.765 8.847 1.00 0.00 H new ATOM 0 HG LEU A 44 4.480 -3.287 7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.232 -4.800 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.913 -5.338 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.590 -6.161 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.061 -3.577 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.363 -4.895 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.881 -3.237 8.965 1.00 0.00 H new ATOM 763 N ARG A 45 5.776 -5.498 11.525 1.00 0.00 N ATOM 764 CA ARG A 45 6.546 -6.239 12.488 1.00 0.00 C ATOM 765 C ARG A 45 7.205 -7.438 11.803 1.00 0.00 C ATOM 766 O ARG A 45 6.629 -8.532 11.709 1.00 0.00 O ATOM 767 CB ARG A 45 5.660 -6.655 13.692 1.00 0.00 C ATOM 768 CG ARG A 45 6.396 -7.428 14.777 1.00 0.00 C ATOM 769 CD ARG A 45 5.544 -7.655 16.034 1.00 0.00 C ATOM 770 NE ARG A 45 4.279 -8.385 15.786 1.00 0.00 N ATOM 771 CZ ARG A 45 4.156 -9.729 15.744 1.00 0.00 C ATOM 772 NH1 ARG A 45 5.238 -10.506 15.680 1.00 0.00 N ATOM 773 NH2 ARG A 45 2.951 -10.287 15.750 1.00 0.00 N ATOM 0 H ARG A 45 4.773 -5.681 11.567 1.00 0.00 H new ATOM 0 HA ARG A 45 7.340 -5.609 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.224 -5.759 14.134 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.834 -7.264 13.326 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.710 -8.393 14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.301 -6.886 15.051 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.134 -8.210 16.764 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.311 -6.689 16.481 1.00 0.00 H new ATOM 0 HE ARG A 45 3.437 -7.830 15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.167 -10.086 15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.136 -11.520 15.649 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.117 -9.700 15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.859 -11.302 15.718 1.00 0.00 H new ATOM 787 N GLY A 46 8.368 -7.186 11.250 1.00 0.00 N ATOM 788 CA GLY A 46 9.098 -8.190 10.525 1.00 0.00 C ATOM 789 C GLY A 46 9.619 -7.639 9.214 1.00 0.00 C ATOM 790 O GLY A 46 10.645 -8.091 8.697 1.00 0.00 O ATOM 0 H GLY A 46 8.832 -6.278 11.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.931 -8.548 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.452 -9.047 10.333 1.00 0.00 H new ATOM 794 N MET A 47 8.925 -6.639 8.693 1.00 0.00 N ATOM 795 CA MET A 47 9.291 -6.001 7.428 1.00 0.00 C ATOM 796 C MET A 47 9.541 -4.518 7.655 1.00 0.00 C ATOM 797 O MET A 47 8.601 -3.746 7.760 1.00 0.00 O ATOM 798 CB MET A 47 8.184 -6.150 6.372 1.00 0.00 C ATOM 799 CG MET A 47 7.888 -7.554 5.880 1.00 0.00 C ATOM 800 SD MET A 47 9.282 -8.329 5.050 1.00 0.00 S ATOM 801 CE MET A 47 8.471 -9.760 4.331 1.00 0.00 C ATOM 0 H MET A 47 8.093 -6.244 9.131 1.00 0.00 H new ATOM 0 HA MET A 47 10.191 -6.495 7.063 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.264 -5.734 6.784 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.453 -5.538 5.511 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.589 -8.172 6.727 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.040 -7.520 5.196 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.203 -10.553 4.175 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.691 -10.114 5.006 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.026 -9.484 3.375 1.00 0.00 H new ATOM 811 N PRO A 48 10.803 -4.101 7.765 1.00 0.00 N ATOM 812 CA PRO A 48 11.157 -2.694 8.016 1.00 0.00 C ATOM 813 C PRO A 48 10.907 -1.785 6.806 1.00 0.00 C ATOM 814 O PRO A 48 10.681 -0.583 6.956 1.00 0.00 O ATOM 815 CB PRO A 48 12.662 -2.746 8.330 1.00 0.00 C ATOM 816 CG PRO A 48 12.990 -4.192 8.512 1.00 0.00 C ATOM 817 CD PRO A 48 11.995 -4.952 7.695 1.00 0.00 C ATOM 0 HA PRO A 48 10.548 -2.274 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.246 -2.312 7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.894 -2.176 9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.007 -4.405 8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.929 -4.476 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.335 -5.089 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.808 -5.945 8.105 1.00 0.00 H new ATOM 825 N ASP A 49 10.932 -2.366 5.623 1.00 0.00 N ATOM 826 CA ASP A 49 10.774 -1.617 4.376 1.00 0.00 C ATOM 827 C ASP A 49 9.355 -1.710 3.852 1.00 0.00 C ATOM 828 O ASP A 49 9.048 -1.218 2.759 1.00 0.00 O ATOM 829 CB ASP A 49 11.760 -2.116 3.306 1.00 0.00 C ATOM 830 CG ASP A 49 11.522 -3.555 2.886 1.00 0.00 C ATOM 831 OD1 ASP A 49 11.464 -4.447 3.770 1.00 0.00 O ATOM 832 OD2 ASP A 49 11.463 -3.830 1.676 1.00 0.00 O ATOM 0 H ASP A 49 11.062 -3.369 5.491 1.00 0.00 H new ATOM 0 HA ASP A 49 10.992 -0.572 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.687 -1.473 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.777 -2.021 3.688 1.00 0.00 H new ATOM 837 N CYS A 50 8.493 -2.322 4.619 1.00 0.00 N ATOM 838 CA CYS A 50 7.111 -2.440 4.251 1.00 0.00 C ATOM 839 C CYS A 50 6.272 -1.732 5.299 1.00 0.00 C ATOM 840 O CYS A 50 6.414 -1.983 6.499 1.00 0.00 O ATOM 841 CB CYS A 50 6.708 -3.901 4.108 1.00 0.00 C ATOM 842 SG CYS A 50 7.741 -4.840 2.948 1.00 0.00 S ATOM 0 H CYS A 50 8.730 -2.751 5.514 1.00 0.00 H new ATOM 0 HA CYS A 50 6.945 -1.972 3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.754 -4.378 5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.671 -3.951 3.777 1.00 0.00 H new ATOM 0 HG CYS A 50 7.325 -6.070 2.894 1.00 0.00 H new ATOM 848 N TYR A 51 5.439 -0.846 4.854 1.00 0.00 N ATOM 849 CA TYR A 51 4.667 -0.018 5.728 1.00 0.00 C ATOM 850 C TYR A 51 3.201 -0.189 5.397 1.00 0.00 C ATOM 851 O TYR A 51 2.850 -0.796 4.365 1.00 0.00 O ATOM 852 CB TYR A 51 5.077 1.459 5.561 1.00 0.00 C ATOM 853 CG TYR A 51 6.567 1.737 5.744 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.462 1.499 4.718 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.066 2.240 6.925 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.807 1.750 4.861 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.421 2.497 7.079 1.00 0.00 C ATOM 858 CZ TYR A 51 9.281 2.247 6.041 1.00 0.00 C ATOM 859 OH TYR A 51 10.630 2.503 6.181 1.00 0.00 O ATOM 0 H TYR A 51 5.273 -0.674 3.862 1.00 0.00 H new ATOM 0 HA TYR A 51 4.847 -0.311 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.779 1.793 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.519 2.059 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.096 1.106 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.392 2.438 7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.485 1.555 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.796 2.892 8.012 1.00 0.00 H new ATOM 0 HH TYR A 51 11.092 1.683 6.455 1.00 0.00 H new ATOM 869 N LYS A 52 2.364 0.340 6.237 1.00 0.00 N ATOM 870 CA LYS A 52 0.941 0.237 6.076 1.00 0.00 C ATOM 871 C LYS A 52 0.306 1.575 6.401 1.00 0.00 C ATOM 872 O LYS A 52 0.880 2.384 7.131 1.00 0.00 O ATOM 873 CB LYS A 52 0.388 -0.814 7.061 1.00 0.00 C ATOM 874 CG LYS A 52 0.624 -0.392 8.506 1.00 0.00 C ATOM 875 CD LYS A 52 0.087 -1.345 9.543 1.00 0.00 C ATOM 876 CE LYS A 52 0.316 -0.741 10.922 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.108 -1.623 12.017 1.00 0.00 N ATOM 0 H LYS A 52 2.651 0.862 7.065 1.00 0.00 H new ATOM 0 HA LYS A 52 0.714 -0.053 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.680 -0.951 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.867 -1.776 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.696 -0.273 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.169 0.586 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.976 -1.523 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.587 -2.310 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.375 -0.510 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.226 0.202 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.195 -1.218 12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.144 -1.715 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.324 -2.561 11.894 1.00 0.00 H new ATOM 891 N ILE A 53 -0.837 1.819 5.845 1.00 0.00 N ATOM 892 CA ILE A 53 -1.635 2.961 6.220 1.00 0.00 C ATOM 893 C ILE A 53 -3.045 2.457 6.333 1.00 0.00 C ATOM 894 O ILE A 53 -3.446 1.606 5.549 1.00 0.00 O ATOM 895 CB ILE A 53 -1.589 4.129 5.198 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.141 4.515 4.881 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.316 5.327 5.803 1.00 0.00 C ATOM 898 CD1 ILE A 53 0.007 5.540 3.778 1.00 0.00 C ATOM 0 H ILE A 53 -1.251 1.237 5.117 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.242 3.374 7.149 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.070 3.818 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.325 4.904 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.408 3.616 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.295 6.159 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.351 5.056 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.823 5.622 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.064 5.754 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.426 5.149 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.511 6.457 4.061 1.00 0.00 H new ATOM 910 N LYS A 54 -3.788 2.931 7.291 1.00 0.00 N ATOM 911 CA LYS A 54 -5.102 2.408 7.509 1.00 0.00 C ATOM 912 C LYS A 54 -6.132 3.509 7.672 1.00 0.00 C ATOM 913 O LYS A 54 -5.869 4.560 8.282 1.00 0.00 O ATOM 914 CB LYS A 54 -5.078 1.470 8.710 1.00 0.00 C ATOM 915 CG LYS A 54 -4.640 2.144 9.992 1.00 0.00 C ATOM 916 CD LYS A 54 -4.240 1.149 11.047 1.00 0.00 C ATOM 917 CE LYS A 54 -5.368 0.202 11.429 1.00 0.00 C ATOM 918 NZ LYS A 54 -4.942 -0.728 12.481 1.00 0.00 N ATOM 0 H LYS A 54 -3.507 3.675 7.930 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.404 1.843 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.073 1.048 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.406 0.638 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.801 2.808 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.452 2.766 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.391 0.568 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.906 1.684 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.228 0.776 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.689 -0.359 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.484 -1.612 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.928 -0.933 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.112 -0.299 13.413 1.00 0.00 H new ATOM 932 N LEU A 55 -7.280 3.257 7.115 1.00 0.00 N ATOM 933 CA LEU A 55 -8.403 4.146 7.141 1.00 0.00 C ATOM 934 C LEU A 55 -9.186 3.892 8.402 1.00 0.00 C ATOM 935 O LEU A 55 -9.866 2.871 8.516 1.00 0.00 O ATOM 936 CB LEU A 55 -9.300 3.885 5.927 1.00 0.00 C ATOM 937 CG LEU A 55 -8.665 4.068 4.554 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.680 3.787 3.474 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.101 5.467 4.399 1.00 0.00 C ATOM 0 H LEU A 55 -7.466 2.391 6.610 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.057 5.179 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.675 2.864 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.163 4.547 5.993 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.841 3.361 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.217 3.920 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.038 2.762 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.519 4.475 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.654 5.571 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.902 6.197 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.341 5.640 5.161 1.00 0.00 H new ATOM 951 N ARG A 56 -9.093 4.807 9.325 1.00 0.00 N ATOM 952 CA ARG A 56 -9.716 4.669 10.635 1.00 0.00 C ATOM 953 C ARG A 56 -11.241 4.705 10.586 1.00 0.00 C ATOM 954 O ARG A 56 -11.892 4.191 11.482 1.00 0.00 O ATOM 955 CB ARG A 56 -9.164 5.713 11.603 1.00 0.00 C ATOM 956 CG ARG A 56 -9.234 7.130 11.078 1.00 0.00 C ATOM 957 CD ARG A 56 -8.525 8.099 11.993 1.00 0.00 C ATOM 958 NE ARG A 56 -8.431 9.434 11.395 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.323 10.190 11.386 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.231 9.792 12.039 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.319 11.351 10.751 1.00 0.00 N ATOM 0 H ARG A 56 -8.582 5.681 9.200 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.456 3.676 11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.718 5.655 12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.126 5.471 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.786 7.173 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.277 7.427 10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.058 8.161 12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.524 7.727 12.213 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.268 9.815 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.235 8.909 12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.391 10.371 12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.159 11.671 10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.476 11.926 10.744 1.00 0.00 H new ATOM 975 N SER A 57 -11.800 5.285 9.557 1.00 0.00 N ATOM 976 CA SER A 57 -13.234 5.357 9.434 1.00 0.00 C ATOM 977 C SER A 57 -13.791 4.155 8.650 1.00 0.00 C ATOM 978 O SER A 57 -14.945 3.768 8.825 1.00 0.00 O ATOM 979 CB SER A 57 -13.625 6.672 8.762 1.00 0.00 C ATOM 980 OG SER A 57 -13.095 7.783 9.486 1.00 0.00 O ATOM 0 H SER A 57 -11.284 5.716 8.790 1.00 0.00 H new ATOM 0 HA SER A 57 -13.670 5.322 10.432 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.253 6.688 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.711 6.751 8.708 1.00 0.00 H new ATOM 0 HG SER A 57 -13.354 8.617 9.041 1.00 0.00 H new ATOM 986 N SER A 58 -12.968 3.552 7.822 1.00 0.00 N ATOM 987 CA SER A 58 -13.438 2.469 6.975 1.00 0.00 C ATOM 988 C SER A 58 -13.001 1.073 7.489 1.00 0.00 C ATOM 989 O SER A 58 -13.725 0.082 7.319 1.00 0.00 O ATOM 990 CB SER A 58 -12.953 2.716 5.551 1.00 0.00 C ATOM 991 OG SER A 58 -13.276 4.043 5.143 1.00 0.00 O ATOM 0 H SER A 58 -11.981 3.786 7.714 1.00 0.00 H new ATOM 0 HA SER A 58 -14.528 2.461 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.875 2.563 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.413 1.997 4.873 1.00 0.00 H new ATOM 0 HG SER A 58 -14.080 4.026 4.582 1.00 0.00 H new ATOM 997 N GLY A 59 -11.833 0.996 8.117 1.00 0.00 N ATOM 998 CA GLY A 59 -11.332 -0.284 8.611 1.00 0.00 C ATOM 999 C GLY A 59 -10.477 -0.987 7.586 1.00 0.00 C ATOM 1000 O GLY A 59 -10.174 -2.178 7.700 1.00 0.00 O ATOM 0 H GLY A 59 -11.221 1.793 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.750 -0.120 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.173 -0.923 8.882 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.095 -0.256 6.584 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.267 -0.775 5.528 1.00 0.00 C ATOM 1006 C TYR A 60 -7.826 -0.391 5.762 1.00 0.00 C ATOM 1007 O TYR A 60 -7.526 0.386 6.655 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.743 -0.275 4.157 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.016 -0.933 3.653 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.247 -0.678 4.236 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -10.972 -1.808 2.581 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.393 -1.285 3.771 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.113 -2.416 2.107 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.321 -2.153 2.706 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.459 -2.772 2.246 1.00 0.00 O ATOM 0 H TYR A 60 -10.349 0.725 6.471 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.347 -1.862 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.903 0.802 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.950 -0.442 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.309 0.008 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.024 -2.018 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.344 -1.080 4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.059 -3.096 1.269 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.233 -3.351 1.489 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.958 -0.950 4.983 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.551 -0.684 5.031 1.00 0.00 C ATOM 1027 C ARG A 61 -4.958 -0.924 3.662 1.00 0.00 C ATOM 1028 O ARG A 61 -5.594 -1.534 2.791 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.799 -1.536 6.095 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.041 -3.040 6.008 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.230 -3.468 6.855 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.921 -3.424 8.294 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.797 -3.585 9.297 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.106 -3.573 9.079 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.346 -3.688 10.528 1.00 0.00 N ATOM 0 H ARG A 61 -7.216 -1.630 4.268 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.427 0.357 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.730 -1.349 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.093 -1.193 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.214 -3.321 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.149 -3.572 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.079 -2.817 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.528 -4.479 6.578 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.949 -3.255 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.464 -3.439 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.754 -3.697 9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.343 -3.645 10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.999 -3.811 11.302 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.781 -0.440 3.483 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.042 -0.577 2.276 1.00 0.00 C ATOM 1051 C LEU A 62 -1.617 -0.904 2.675 1.00 0.00 C ATOM 1052 O LEU A 62 -1.049 -0.242 3.554 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.163 0.737 1.454 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.493 0.806 0.067 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.131 1.913 -0.753 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.000 1.091 0.191 1.00 0.00 C ATOM 0 H LEU A 62 -3.284 0.085 4.203 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.418 -1.374 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.224 0.946 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.753 1.545 2.060 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.631 -0.159 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.656 1.960 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.195 1.709 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.001 2.866 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.554 1.134 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.853 2.045 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.525 0.298 0.768 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.077 -1.941 2.084 1.00 0.00 N ATOM 1069 CA VAL A 63 0.250 -2.426 2.408 1.00 0.00 C ATOM 1070 C VAL A 63 1.147 -2.146 1.226 1.00 0.00 C ATOM 1071 O VAL A 63 0.783 -2.469 0.091 1.00 0.00 O ATOM 1072 CB VAL A 63 0.240 -3.962 2.635 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.536 -4.432 3.277 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.974 -4.409 3.437 1.00 0.00 C ATOM 0 H VAL A 63 -1.547 -2.480 1.357 1.00 0.00 H new ATOM 0 HA VAL A 63 0.596 -1.931 3.315 1.00 0.00 H new ATOM 0 HB VAL A 63 0.165 -4.434 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.499 -5.511 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.375 -4.182 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.664 -3.939 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.942 -5.490 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.967 -3.920 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.884 -4.137 2.902 1.00 0.00 H new ATOM 1084 N TYR A 64 2.294 -1.570 1.461 1.00 0.00 N ATOM 1085 CA TYR A 64 3.204 -1.237 0.385 1.00 0.00 C ATOM 1086 C TYR A 64 4.638 -1.387 0.845 1.00 0.00 C ATOM 1087 O TYR A 64 4.907 -1.471 2.031 1.00 0.00 O ATOM 1088 CB TYR A 64 2.953 0.208 -0.125 1.00 0.00 C ATOM 1089 CG TYR A 64 3.176 1.288 0.920 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.234 1.525 1.903 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.337 2.060 0.927 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.426 2.479 2.863 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.533 3.028 1.894 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.571 3.229 2.860 1.00 0.00 C ATOM 1095 OH TYR A 64 3.762 4.178 3.839 1.00 0.00 O ATOM 0 H TYR A 64 2.627 -1.318 2.391 1.00 0.00 H new ATOM 0 HA TYR A 64 3.023 -1.927 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.609 0.400 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.929 0.279 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.325 0.943 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.090 1.900 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.675 2.641 3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.434 3.623 1.893 1.00 0.00 H new ATOM 0 HH TYR A 64 4.687 4.500 3.807 1.00 0.00 H new ATOM 1105 N GLN A 65 5.529 -1.436 -0.087 1.00 0.00 N ATOM 1106 CA GLN A 65 6.930 -1.488 0.174 1.00 0.00 C ATOM 1107 C GLN A 65 7.520 -0.198 -0.315 1.00 0.00 C ATOM 1108 O GLN A 65 7.042 0.380 -1.310 1.00 0.00 O ATOM 1109 CB GLN A 65 7.584 -2.648 -0.576 1.00 0.00 C ATOM 1110 CG GLN A 65 9.108 -2.738 -0.389 1.00 0.00 C ATOM 1111 CD GLN A 65 9.749 -3.761 -1.289 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.913 -3.623 -1.703 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.014 -4.775 -1.598 1.00 0.00 N ATOM 0 H GLN A 65 5.297 -1.441 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 65 7.102 -1.634 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.132 -3.582 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.365 -2.549 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.551 -1.761 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.328 -2.986 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.064 -4.846 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.383 -5.506 -2.206 1.00 0.00 H new ATOM 1122 N VAL A 66 8.518 0.254 0.347 1.00 0.00 N ATOM 1123 CA VAL A 66 9.193 1.442 -0.062 1.00 0.00 C ATOM 1124 C VAL A 66 10.463 1.053 -0.742 1.00 0.00 C ATOM 1125 O VAL A 66 11.369 0.472 -0.126 1.00 0.00 O ATOM 1126 CB VAL A 66 9.485 2.408 1.104 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.307 3.606 0.627 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.185 2.889 1.676 1.00 0.00 C ATOM 0 H VAL A 66 8.895 -0.183 1.188 1.00 0.00 H new ATOM 0 HA VAL A 66 8.536 1.983 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 66 10.059 1.879 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.500 4.273 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.254 3.257 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.754 4.144 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.382 3.573 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.617 3.407 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.610 2.037 2.040 1.00 0.00 H new ATOM 1138 N ILE A 67 10.519 1.304 -2.001 1.00 0.00 N ATOM 1139 CA ILE A 67 11.675 0.989 -2.755 1.00 0.00 C ATOM 1140 C ILE A 67 12.365 2.288 -3.067 1.00 0.00 C ATOM 1141 O ILE A 67 11.917 3.037 -3.901 1.00 0.00 O ATOM 1142 CB ILE A 67 11.288 0.273 -4.068 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.355 -0.917 -3.773 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.533 -0.202 -4.789 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.916 -1.696 -4.998 1.00 0.00 C ATOM 0 H ILE A 67 9.764 1.733 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 67 12.327 0.321 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 67 10.759 0.978 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.862 -1.597 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.469 -0.547 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.249 -0.705 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.167 0.653 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.080 -0.896 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.263 -2.514 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.378 -1.034 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.792 -2.101 -5.505 1.00 0.00 H new ATOM 1157 N ASP A 68 13.434 2.569 -2.400 1.00 0.00 N ATOM 1158 CA ASP A 68 14.097 3.851 -2.579 1.00 0.00 C ATOM 1159 C ASP A 68 15.100 3.769 -3.718 1.00 0.00 C ATOM 1160 O ASP A 68 15.423 4.769 -4.346 1.00 0.00 O ATOM 1161 CB ASP A 68 14.759 4.309 -1.283 1.00 0.00 C ATOM 1162 CG ASP A 68 15.261 5.739 -1.351 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.453 6.677 -1.122 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.465 5.951 -1.588 1.00 0.00 O ATOM 0 H ASP A 68 13.878 1.944 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 68 13.347 4.598 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.045 4.218 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.594 3.647 -1.053 1.00 0.00 H new ATOM 1169 N GLU A 69 15.542 2.550 -4.013 1.00 0.00 N ATOM 1170 CA GLU A 69 16.481 2.309 -5.113 1.00 0.00 C ATOM 1171 C GLU A 69 15.842 2.642 -6.476 1.00 0.00 C ATOM 1172 O GLU A 69 16.510 3.145 -7.377 1.00 0.00 O ATOM 1173 CB GLU A 69 17.003 0.861 -5.092 1.00 0.00 C ATOM 1174 CG GLU A 69 15.914 -0.195 -5.131 1.00 0.00 C ATOM 1175 CD GLU A 69 16.434 -1.606 -5.193 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.964 -2.105 -4.190 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.299 -2.254 -6.248 1.00 0.00 O ATOM 0 H GLU A 69 15.266 1.709 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 69 17.332 2.975 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.667 0.714 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.602 0.716 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.286 -0.088 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.277 -0.014 -5.997 1.00 0.00 H new ATOM 1184 N LYS A 70 14.553 2.351 -6.616 1.00 0.00 N ATOM 1185 CA LYS A 70 13.812 2.667 -7.841 1.00 0.00 C ATOM 1186 C LYS A 70 13.026 3.946 -7.652 1.00 0.00 C ATOM 1187 O LYS A 70 12.567 4.545 -8.620 1.00 0.00 O ATOM 1188 CB LYS A 70 12.828 1.554 -8.213 1.00 0.00 C ATOM 1189 CG LYS A 70 13.444 0.212 -8.578 1.00 0.00 C ATOM 1190 CD LYS A 70 12.366 -0.798 -8.988 1.00 0.00 C ATOM 1191 CE LYS A 70 11.602 -0.346 -10.237 1.00 0.00 C ATOM 1192 NZ LYS A 70 10.555 -1.305 -10.634 1.00 0.00 N ATOM 0 H LYS A 70 13.994 1.895 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 70 14.544 2.775 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.148 1.403 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.226 1.896 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.152 0.344 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.006 -0.176 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.829 -1.766 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.665 -0.935 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.147 0.627 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.303 -0.216 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.067 -0.955 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.989 -2.227 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.869 -1.411 -9.859 1.00 0.00 H new ATOM 1206 N VAL A 71 12.876 4.328 -6.390 1.00 0.00 N ATOM 1207 CA VAL A 71 12.120 5.497 -5.948 1.00 0.00 C ATOM 1208 C VAL A 71 10.666 5.312 -6.335 1.00 0.00 C ATOM 1209 O VAL A 71 10.139 6.019 -7.169 1.00 0.00 O ATOM 1210 CB VAL A 71 12.643 6.858 -6.503 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.099 7.994 -5.678 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.144 6.912 -6.530 1.00 0.00 C ATOM 0 H VAL A 71 13.293 3.813 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 71 12.246 5.556 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 71 12.292 6.953 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.469 8.940 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.010 7.985 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.424 7.880 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.466 7.876 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.531 6.785 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.525 6.114 -7.168 1.00 0.00 H new ATOM 1222 N VAL A 72 10.055 4.306 -5.766 1.00 0.00 N ATOM 1223 CA VAL A 72 8.703 3.937 -6.069 1.00 0.00 C ATOM 1224 C VAL A 72 8.008 3.422 -4.812 1.00 0.00 C ATOM 1225 O VAL A 72 8.665 2.901 -3.879 1.00 0.00 O ATOM 1226 CB VAL A 72 8.621 2.816 -7.173 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.197 3.265 -8.503 1.00 0.00 C ATOM 1228 CG2 VAL A 72 9.314 1.548 -6.722 1.00 0.00 C ATOM 0 H VAL A 72 10.495 3.710 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 72 8.210 4.833 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 72 7.560 2.613 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.115 2.454 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.644 4.132 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.246 3.531 -8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.240 0.794 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.364 1.759 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.838 1.176 -5.815 1.00 0.00 H new ATOM 1238 N VAL A 73 6.720 3.593 -4.774 1.00 0.00 N ATOM 1239 CA VAL A 73 5.881 3.061 -3.752 1.00 0.00 C ATOM 1240 C VAL A 73 5.142 1.898 -4.368 1.00 0.00 C ATOM 1241 O VAL A 73 4.229 2.085 -5.171 1.00 0.00 O ATOM 1242 CB VAL A 73 4.877 4.129 -3.243 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.926 3.557 -2.204 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.631 5.311 -2.666 1.00 0.00 C ATOM 0 H VAL A 73 6.211 4.126 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 73 6.472 2.747 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 73 4.278 4.458 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.239 4.335 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.359 2.735 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.497 3.190 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.921 6.057 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.252 4.976 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.264 5.751 -3.437 1.00 0.00 H new ATOM 1254 N PHE A 74 5.581 0.717 -4.055 1.00 0.00 N ATOM 1255 CA PHE A 74 5.025 -0.473 -4.643 1.00 0.00 C ATOM 1256 C PHE A 74 3.986 -1.093 -3.732 1.00 0.00 C ATOM 1257 O PHE A 74 4.315 -1.713 -2.734 1.00 0.00 O ATOM 1258 CB PHE A 74 6.152 -1.464 -5.000 1.00 0.00 C ATOM 1259 CG PHE A 74 5.692 -2.815 -5.481 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.626 -2.945 -6.356 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.324 -3.962 -5.036 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.206 -4.178 -6.773 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.902 -5.203 -5.457 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.840 -5.307 -6.326 1.00 0.00 C ATOM 0 H PHE A 74 6.333 0.546 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 74 4.513 -0.206 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.777 -1.015 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.782 -1.604 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.120 -2.061 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.156 -3.883 -4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.373 -4.262 -7.456 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.403 -6.093 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.506 -6.280 -6.656 1.00 0.00 H new ATOM 1274 N VAL A 75 2.746 -0.895 -4.069 1.00 0.00 N ATOM 1275 CA VAL A 75 1.653 -1.421 -3.300 1.00 0.00 C ATOM 1276 C VAL A 75 1.495 -2.916 -3.554 1.00 0.00 C ATOM 1277 O VAL A 75 1.368 -3.361 -4.703 1.00 0.00 O ATOM 1278 CB VAL A 75 0.338 -0.685 -3.604 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.785 -1.192 -2.713 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.521 0.820 -3.444 1.00 0.00 C ATOM 0 H VAL A 75 2.461 -0.361 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 75 1.885 -1.262 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 75 0.062 -0.889 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.705 -0.656 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.932 -2.258 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.524 -1.025 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.419 1.326 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.824 1.043 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.290 1.168 -4.134 1.00 0.00 H new ATOM 1290 N ILE A 76 1.523 -3.661 -2.479 1.00 0.00 N ATOM 1291 CA ILE A 76 1.451 -5.105 -2.496 1.00 0.00 C ATOM 1292 C ILE A 76 -0.008 -5.559 -2.489 1.00 0.00 C ATOM 1293 O ILE A 76 -0.409 -6.441 -3.252 1.00 0.00 O ATOM 1294 CB ILE A 76 2.148 -5.681 -1.231 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.587 -5.134 -1.092 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.142 -7.211 -1.245 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.535 -5.544 -2.202 1.00 0.00 C ATOM 0 H ILE A 76 1.599 -3.272 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 76 1.947 -5.465 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 76 1.579 -5.354 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.544 -4.046 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.998 -5.471 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.636 -7.585 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.113 -7.571 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.672 -7.569 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.519 -5.113 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.614 -6.631 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.154 -5.184 -3.158 1.00 0.00 H new ATOM 1309 N SER A 77 -0.801 -4.970 -1.614 1.00 0.00 N ATOM 1310 CA SER A 77 -2.170 -5.361 -1.498 1.00 0.00 C ATOM 1311 C SER A 77 -2.968 -4.231 -0.872 1.00 0.00 C ATOM 1312 O SER A 77 -2.402 -3.381 -0.179 1.00 0.00 O ATOM 1313 CB SER A 77 -2.266 -6.636 -0.649 1.00 0.00 C ATOM 1314 OG SER A 77 -3.549 -7.223 -0.742 1.00 0.00 O ATOM 0 H SER A 77 -0.511 -4.224 -0.982 1.00 0.00 H new ATOM 0 HA SER A 77 -2.583 -5.570 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.512 -7.351 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.047 -6.399 0.392 1.00 0.00 H new ATOM 0 HG SER A 77 -3.822 -7.554 0.139 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.258 -4.218 -1.124 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.156 -3.204 -0.610 1.00 0.00 C ATOM 1322 C VAL A 78 -6.406 -3.925 -0.124 1.00 0.00 C ATOM 1323 O VAL A 78 -6.794 -4.923 -0.716 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.589 -2.196 -1.729 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.365 -1.037 -1.149 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.413 -1.689 -2.549 1.00 0.00 C ATOM 0 H VAL A 78 -4.721 -4.921 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.653 -2.646 0.180 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.239 -2.750 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.652 -0.354 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.260 -1.411 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.743 -0.508 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.772 -0.995 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.707 -1.178 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.917 -2.531 -3.032 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.000 -3.481 0.952 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.222 -4.096 1.398 1.00 0.00 C ATOM 1338 C GLY A 79 -8.278 -4.226 2.890 1.00 0.00 C ATOM 1339 O GLY A 79 -7.729 -3.407 3.606 1.00 0.00 O ATOM 0 H GLY A 79 -6.665 -2.709 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.071 -3.505 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.317 -5.083 0.945 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.929 -5.238 3.361 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.037 -5.473 4.778 1.00 0.00 C ATOM 1345 C LYS A 80 -8.172 -6.644 5.187 1.00 0.00 C ATOM 1346 O LYS A 80 -8.010 -7.615 4.431 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.498 -5.662 5.208 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.300 -4.360 5.231 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.759 -4.572 5.630 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.536 -5.310 4.551 1.00 0.00 C ATOM 1351 NZ LYS A 80 -14.921 -5.629 4.965 1.00 0.00 N ATOM 0 H LYS A 80 -9.404 -5.930 2.781 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.670 -4.589 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.980 -6.365 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.521 -6.111 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.835 -3.664 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.261 -3.897 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.803 -5.137 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.228 -3.607 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.562 -4.702 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.014 -6.233 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.407 -6.131 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.900 -6.232 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.431 -4.748 5.180 1.00 0.00 H new ATOM 1715 N GLU B 54 -1.903 -6.999 13.464 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.433 -6.973 12.085 1.00 0.00 C ATOM 1717 C GLU B 54 -1.259 -7.195 11.159 1.00 0.00 C ATOM 1718 O GLU B 54 -1.321 -7.932 10.186 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.147 -5.637 11.727 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.245 -4.414 11.636 1.00 0.00 C ATOM 1721 CD GLU B 54 -2.970 -3.173 11.205 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -3.767 -3.230 10.257 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.774 -2.121 11.837 1.00 0.00 O ATOM 0 HA GLU B 54 -3.191 -7.750 11.983 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.656 -5.763 10.772 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.916 -5.445 12.475 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -1.784 -4.238 12.608 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.438 -4.618 10.932 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.156 -6.636 11.597 1.00 0.00 N ATOM 1731 CA ASP B 55 1.122 -6.644 10.948 1.00 0.00 C ATOM 1732 C ASP B 55 1.618 -8.058 10.801 1.00 0.00 C ATOM 1733 O ASP B 55 2.368 -8.355 9.910 1.00 0.00 O ATOM 1734 CB ASP B 55 2.095 -5.844 11.812 1.00 0.00 C ATOM 1735 CG ASP B 55 1.498 -4.521 12.245 1.00 0.00 C ATOM 1736 OD1 ASP B 55 0.681 -4.516 13.201 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.798 -3.496 11.654 1.00 0.00 O ATOM 0 H ASP B 55 -0.133 -6.128 12.481 1.00 0.00 H new ATOM 0 HA ASP B 55 1.041 -6.202 9.955 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.365 -6.427 12.692 1.00 0.00 H new ATOM 0 HB3 ASP B 55 3.014 -5.664 11.254 1.00 0.00 H new ATOM 1742 N ALA B 56 1.151 -8.930 11.675 1.00 0.00 N ATOM 1743 CA ALA B 56 1.514 -10.331 11.651 1.00 0.00 C ATOM 1744 C ALA B 56 0.913 -11.009 10.432 1.00 0.00 C ATOM 1745 O ALA B 56 1.532 -11.886 9.831 1.00 0.00 O ATOM 1746 CB ALA B 56 1.034 -11.014 12.911 1.00 0.00 C ATOM 0 H ALA B 56 0.506 -8.683 12.425 1.00 0.00 H new ATOM 0 HA ALA B 56 2.600 -10.409 11.597 1.00 0.00 H new ATOM 0 HB1 ALA B 56 1.312 -12.067 12.882 1.00 0.00 H new ATOM 0 HB2 ALA B 56 1.493 -10.541 13.779 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -0.050 -10.927 12.982 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.273 -10.569 10.048 1.00 0.00 N ATOM 1753 CA GLU B 57 -0.948 -11.120 8.902 1.00 0.00 C ATOM 1754 C GLU B 57 -0.368 -10.450 7.660 1.00 0.00 C ATOM 1755 O GLU B 57 -0.071 -11.093 6.661 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.473 -10.882 9.005 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.287 -11.588 7.924 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.774 -11.313 8.001 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -5.488 -11.962 8.797 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.279 -10.451 7.242 1.00 0.00 O ATOM 0 H GLU B 57 -0.786 -9.826 10.522 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.797 -12.198 8.848 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.817 -11.219 9.983 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.668 -9.811 8.950 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.920 -11.278 6.946 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -3.121 -12.663 8.001 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.134 -9.154 7.770 1.00 0.00 N ATOM 1768 CA LEU B 58 0.431 -8.370 6.678 1.00 0.00 C ATOM 1769 C LEU B 58 1.818 -8.850 6.239 1.00 0.00 C ATOM 1770 O LEU B 58 2.124 -8.800 5.067 1.00 0.00 O ATOM 1771 CB LEU B 58 0.455 -6.857 6.982 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.861 -6.060 6.777 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -2.005 -6.584 7.607 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -0.649 -4.585 7.057 1.00 0.00 C ATOM 0 H LEU B 58 -0.328 -8.614 8.614 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.247 -8.534 5.840 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.768 -6.728 8.018 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.224 -6.401 6.358 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.137 -6.195 5.731 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -2.896 -5.985 7.419 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -2.203 -7.622 7.340 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -1.745 -6.525 8.664 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -1.585 -4.048 6.906 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.317 -4.454 8.087 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.108 -4.191 6.379 1.00 0.00 H new ATOM 1786 N VAL B 59 2.644 -9.333 7.174 1.00 0.00 N ATOM 1787 CA VAL B 59 3.985 -9.802 6.811 1.00 0.00 C ATOM 1788 C VAL B 59 3.942 -11.119 6.042 1.00 0.00 C ATOM 1789 O VAL B 59 4.783 -11.356 5.176 1.00 0.00 O ATOM 1790 CB VAL B 59 4.993 -9.902 8.001 1.00 0.00 C ATOM 1791 CG1 VAL B 59 5.173 -8.571 8.700 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.639 -11.018 8.975 1.00 0.00 C ATOM 0 H VAL B 59 2.415 -9.409 8.165 1.00 0.00 H new ATOM 0 HA VAL B 59 4.369 -9.018 6.159 1.00 0.00 H new ATOM 0 HB VAL B 59 5.957 -10.169 7.569 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.881 -8.684 9.521 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.554 -7.836 7.991 1.00 0.00 H new ATOM 0 HG13 VAL B 59 4.214 -8.233 9.092 1.00 0.00 H new ATOM 0 HG21 VAL B 59 5.372 -11.043 9.782 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.648 -10.837 9.390 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.644 -11.974 8.451 1.00 0.00 H new ATOM 1802 N GLU B 60 2.961 -11.966 6.324 1.00 0.00 N ATOM 1803 CA GLU B 60 2.864 -13.205 5.594 1.00 0.00 C ATOM 1804 C GLU B 60 2.217 -12.962 4.232 1.00 0.00 C ATOM 1805 O GLU B 60 2.616 -13.548 3.229 1.00 0.00 O ATOM 1806 CB GLU B 60 2.172 -14.320 6.385 1.00 0.00 C ATOM 1807 CG GLU B 60 0.777 -14.009 6.863 1.00 0.00 C ATOM 1808 CD GLU B 60 0.118 -15.200 7.491 1.00 0.00 C ATOM 1809 OE1 GLU B 60 0.318 -15.450 8.693 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.626 -15.920 6.781 1.00 0.00 O ATOM 0 H GLU B 60 2.244 -11.818 7.034 1.00 0.00 H new ATOM 0 HA GLU B 60 3.878 -13.570 5.430 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.133 -15.213 5.761 1.00 0.00 H new ATOM 0 HB3 GLU B 60 2.788 -14.563 7.251 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.815 -13.193 7.585 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.175 -13.663 6.023 1.00 0.00 H new ATOM 1817 N ILE B 61 1.263 -12.041 4.205 1.00 0.00 N ATOM 1818 CA ILE B 61 0.599 -11.630 2.976 1.00 0.00 C ATOM 1819 C ILE B 61 1.602 -11.014 1.990 1.00 0.00 C ATOM 1820 O ILE B 61 1.597 -11.327 0.791 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.550 -10.619 3.284 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.706 -11.330 4.002 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.039 -9.907 2.029 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.846 -10.415 4.399 1.00 0.00 C ATOM 0 H ILE B 61 0.927 -11.557 5.037 1.00 0.00 H new ATOM 0 HA ILE B 61 0.167 -12.518 2.514 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.147 -9.851 3.944 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.094 -12.115 3.353 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.318 -11.818 4.896 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.838 -9.214 2.292 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.214 -9.355 1.579 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.416 -10.642 1.317 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.621 -10.995 4.900 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.475 -9.644 5.075 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.263 -9.946 3.508 1.00 0.00 H new ATOM 1836 N VAL B 62 2.483 -10.170 2.497 1.00 0.00 N ATOM 1837 CA VAL B 62 3.450 -9.518 1.651 1.00 0.00 C ATOM 1838 C VAL B 62 4.471 -10.511 1.108 1.00 0.00 C ATOM 1839 O VAL B 62 4.746 -10.502 -0.069 1.00 0.00 O ATOM 1840 CB VAL B 62 4.128 -8.259 2.313 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.902 -8.619 3.549 1.00 0.00 C ATOM 1842 CG2 VAL B 62 5.035 -7.539 1.333 1.00 0.00 C ATOM 0 H VAL B 62 2.544 -9.925 3.485 1.00 0.00 H new ATOM 0 HA VAL B 62 2.892 -9.121 0.803 1.00 0.00 H new ATOM 0 HB VAL B 62 3.318 -7.590 2.602 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.352 -7.720 3.971 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.230 -9.067 4.281 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.686 -9.331 3.293 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.486 -6.676 1.822 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.819 -8.217 0.997 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.452 -7.206 0.475 1.00 0.00 H new ATOM 1852 N LYS B 63 4.955 -11.427 1.948 1.00 0.00 N ATOM 1853 CA LYS B 63 5.944 -12.412 1.499 1.00 0.00 C ATOM 1854 C LYS B 63 5.313 -13.408 0.517 1.00 0.00 C ATOM 1855 O LYS B 63 5.994 -13.954 -0.364 1.00 0.00 O ATOM 1856 CB LYS B 63 6.620 -13.121 2.684 1.00 0.00 C ATOM 1857 CG LYS B 63 5.710 -14.009 3.505 1.00 0.00 C ATOM 1858 CD LYS B 63 6.420 -14.571 4.729 1.00 0.00 C ATOM 1859 CE LYS B 63 7.653 -15.375 4.318 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.336 -16.010 5.462 1.00 0.00 N ATOM 0 H LYS B 63 4.685 -11.509 2.928 1.00 0.00 H new ATOM 0 HA LYS B 63 6.731 -11.878 0.967 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.444 -13.724 2.304 1.00 0.00 H new ATOM 0 HB3 LYS B 63 7.053 -12.366 3.340 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.836 -13.440 3.822 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.349 -14.830 2.886 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.715 -13.756 5.390 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.736 -15.207 5.292 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.357 -16.145 3.606 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.354 -14.717 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.163 -16.540 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 8.646 -15.277 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 7.680 -16.661 5.940 1.00 0.00 H new ATOM 1874 N GLU B 64 4.010 -13.615 0.665 1.00 0.00 N ATOM 1875 CA GLU B 64 3.222 -14.440 -0.237 1.00 0.00 C ATOM 1876 C GLU B 64 3.214 -13.839 -1.632 1.00 0.00 C ATOM 1877 O GLU B 64 3.432 -14.513 -2.612 1.00 0.00 O ATOM 1878 CB GLU B 64 1.775 -14.526 0.264 1.00 0.00 C ATOM 1879 CG GLU B 64 0.816 -15.163 -0.730 1.00 0.00 C ATOM 1880 CD GLU B 64 -0.615 -15.121 -0.283 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -1.050 -16.015 0.449 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -1.338 -14.188 -0.674 1.00 0.00 O ATOM 0 H GLU B 64 3.466 -13.208 1.426 1.00 0.00 H new ATOM 0 HA GLU B 64 3.668 -15.434 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.755 -15.099 1.191 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.423 -13.522 0.502 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.905 -14.652 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.108 -16.200 -0.893 1.00 0.00 H new ATOM 1889 N ARG B 65 2.973 -12.574 -1.695 1.00 0.00 N ATOM 1890 CA ARG B 65 2.791 -11.898 -2.954 1.00 0.00 C ATOM 1891 C ARG B 65 4.102 -11.306 -3.475 1.00 0.00 C ATOM 1892 O ARG B 65 4.208 -10.926 -4.619 1.00 0.00 O ATOM 1893 CB ARG B 65 1.652 -10.896 -2.780 1.00 0.00 C ATOM 1894 CG ARG B 65 0.386 -11.631 -2.367 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.746 -10.757 -1.866 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.717 -11.624 -1.180 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.858 -11.296 -0.579 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -3.334 -10.065 -0.607 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -3.521 -12.233 0.081 1.00 0.00 N ATOM 0 H ARG B 65 2.895 -11.969 -0.878 1.00 0.00 H new ATOM 0 HA ARG B 65 2.503 -12.595 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.917 -10.155 -2.026 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.484 -10.356 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.027 -12.206 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.642 -12.347 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.367 -9.995 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -1.221 -10.235 -2.696 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.482 -12.616 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -2.824 -9.332 -1.100 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -4.212 -9.847 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -3.155 -13.184 0.121 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.398 -12.004 0.549 1.00 0.00 H new ATOM 1913 N LEU B 66 5.118 -11.313 -2.621 1.00 0.00 N ATOM 1914 CA LEU B 66 6.460 -10.808 -2.954 1.00 0.00 C ATOM 1915 C LEU B 66 7.133 -11.815 -3.903 1.00 0.00 C ATOM 1916 O LEU B 66 7.965 -11.460 -4.736 1.00 0.00 O ATOM 1917 CB LEU B 66 7.298 -10.718 -1.644 1.00 0.00 C ATOM 1918 CG LEU B 66 8.393 -9.627 -1.509 1.00 0.00 C ATOM 1919 CD1 LEU B 66 9.402 -9.633 -2.639 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.775 -8.255 -1.313 1.00 0.00 C ATOM 0 H LEU B 66 5.041 -11.670 -1.669 1.00 0.00 H new ATOM 0 HA LEU B 66 6.394 -9.827 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.599 -10.583 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU B 66 7.781 -11.684 -1.498 1.00 0.00 H new ATOM 0 HG LEU B 66 8.962 -9.878 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU B 66 10.136 -8.843 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU B 66 9.908 -10.598 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU B 66 8.889 -9.462 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU B 66 8.565 -7.510 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.146 -8.013 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.169 -8.255 -0.407 1.00 0.00 H new ATOM 1932 N ARG B 67 6.728 -13.076 -3.784 1.00 0.00 N ATOM 1933 CA ARG B 67 7.342 -14.160 -4.549 1.00 0.00 C ATOM 1934 C ARG B 67 6.832 -14.199 -5.989 1.00 0.00 C ATOM 1935 O ARG B 67 7.347 -14.955 -6.804 1.00 0.00 O ATOM 1936 CB ARG B 67 7.118 -15.514 -3.871 1.00 0.00 C ATOM 1937 CG ARG B 67 5.669 -15.946 -3.833 1.00 0.00 C ATOM 1938 CD ARG B 67 5.464 -17.223 -3.050 1.00 0.00 C ATOM 1939 NE ARG B 67 6.119 -18.377 -3.662 1.00 0.00 N ATOM 1940 CZ ARG B 67 6.199 -19.587 -3.096 1.00 0.00 C ATOM 1941 NH1 ARG B 67 5.773 -19.774 -1.839 1.00 0.00 N ATOM 1942 NH2 ARG B 67 6.734 -20.598 -3.770 1.00 0.00 N ATOM 0 H ARG B 67 5.975 -13.374 -3.164 1.00 0.00 H new ATOM 0 HA ARG B 67 8.413 -13.959 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG B 67 7.700 -16.273 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG B 67 7.500 -15.467 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.068 -15.152 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.309 -16.087 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG B 67 5.847 -17.088 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG B 67 4.396 -17.422 -2.962 1.00 0.00 H new ATOM 0 HE ARG B 67 6.543 -18.252 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG B 67 5.386 -18.992 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG B 67 5.836 -20.698 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG B 67 7.083 -20.452 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG B 67 6.796 -21.521 -3.341 1.00 0.00 H new ATOM 1956 N ASN B 68 5.811 -13.415 -6.288 1.00 0.00 N ATOM 1957 CA ASN B 68 5.273 -13.306 -7.651 1.00 0.00 C ATOM 1958 C ASN B 68 4.304 -12.141 -7.719 1.00 0.00 C ATOM 1959 O ASN B 68 3.096 -12.317 -7.585 1.00 0.00 O ATOM 1960 CB ASN B 68 4.595 -14.615 -8.144 1.00 0.00 C ATOM 1961 CG ASN B 68 4.113 -14.533 -9.598 1.00 0.00 C ATOM 1962 OD1 ASN B 68 4.860 -14.814 -10.526 1.00 0.00 O ATOM 1963 ND2 ASN B 68 2.869 -14.162 -9.798 1.00 0.00 N ATOM 0 H ASN B 68 5.327 -12.835 -5.603 1.00 0.00 H new ATOM 0 HA ASN B 68 6.114 -13.130 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.300 -15.441 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN B 68 3.747 -14.843 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN B 68 2.501 -14.102 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN B 68 2.271 -13.934 -9.004 1.00 0.00 H new ATOM 1970 N PRO B 69 4.826 -10.924 -7.803 1.00 0.00 N ATOM 1971 CA PRO B 69 4.014 -9.735 -7.876 1.00 0.00 C ATOM 1972 C PRO B 69 3.720 -9.288 -9.324 1.00 0.00 C ATOM 1973 O PRO B 69 2.582 -9.407 -9.807 1.00 0.00 O ATOM 1974 CB PRO B 69 4.876 -8.680 -7.153 1.00 0.00 C ATOM 1975 CG PRO B 69 6.225 -9.317 -6.929 1.00 0.00 C ATOM 1976 CD PRO B 69 6.242 -10.583 -7.735 1.00 0.00 C ATOM 0 HA PRO B 69 3.030 -9.892 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO B 69 4.968 -7.775 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.421 -8.389 -6.206 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.026 -8.648 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.382 -9.529 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.672 -10.430 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO B 69 6.827 -11.366 -7.251 1.00 0.00 H new ATOM 1984 N LYS B 70 4.782 -8.871 -10.034 1.00 0.00 N ATOM 1985 CA LYS B 70 4.690 -8.249 -11.358 1.00 0.00 C ATOM 1986 C LYS B 70 4.103 -6.853 -11.228 1.00 0.00 C ATOM 1987 O LYS B 70 2.888 -6.652 -11.298 1.00 0.00 O ATOM 1988 CB LYS B 70 3.956 -9.102 -12.432 1.00 0.00 C ATOM 1989 CG LYS B 70 4.765 -10.265 -13.020 1.00 0.00 C ATOM 1990 CD LYS B 70 5.243 -11.257 -11.972 1.00 0.00 C ATOM 1991 CE LYS B 70 6.107 -12.341 -12.586 1.00 0.00 C ATOM 1992 NZ LYS B 70 7.279 -11.793 -13.311 1.00 0.00 N ATOM 0 H LYS B 70 5.740 -8.960 -9.696 1.00 0.00 H new ATOM 0 HA LYS B 70 5.708 -8.180 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS B 70 3.044 -9.504 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.653 -8.445 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS B 70 4.153 -10.789 -13.754 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.628 -9.865 -13.552 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.809 -10.731 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.383 -11.711 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS B 70 6.452 -13.014 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.505 -12.935 -13.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 7.986 -12.544 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 6.976 -11.432 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 7.698 -11.018 -12.758 1.00 0.00 H new ATOM 2006 N PRO B 71 4.972 -5.875 -10.942 1.00 0.00 N ATOM 2007 CA PRO B 71 4.562 -4.503 -10.738 1.00 0.00 C ATOM 2008 C PRO B 71 4.369 -3.718 -12.031 1.00 0.00 C ATOM 2009 O PRO B 71 5.229 -3.719 -12.939 1.00 0.00 O ATOM 2010 CB PRO B 71 5.705 -3.909 -9.919 1.00 0.00 C ATOM 2011 CG PRO B 71 6.912 -4.690 -10.314 1.00 0.00 C ATOM 2012 CD PRO B 71 6.432 -6.046 -10.766 1.00 0.00 C ATOM 0 HA PRO B 71 3.588 -4.455 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.834 -2.848 -10.134 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.511 -3.997 -8.850 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.452 -4.186 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.601 -4.785 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.912 -6.349 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.657 -6.815 -10.027 1.00 0.00 H new ATOM 2020 N VAL B 72 3.248 -3.082 -12.107 1.00 0.00 N ATOM 2021 CA VAL B 72 2.895 -2.199 -13.174 1.00 0.00 C ATOM 2022 C VAL B 72 3.137 -0.796 -12.651 1.00 0.00 C ATOM 2023 O VAL B 72 2.604 -0.440 -11.585 1.00 0.00 O ATOM 2024 CB VAL B 72 1.384 -2.352 -13.530 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.988 -1.465 -14.705 1.00 0.00 C ATOM 2026 CG2 VAL B 72 1.031 -3.808 -13.812 1.00 0.00 C ATOM 0 H VAL B 72 2.520 -3.165 -11.398 1.00 0.00 H new ATOM 0 HA VAL B 72 3.478 -2.416 -14.069 1.00 0.00 H new ATOM 0 HB VAL B 72 0.814 -2.023 -12.661 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.072 -1.600 -14.922 1.00 0.00 H new ATOM 0 HG12 VAL B 72 1.176 -0.421 -14.453 1.00 0.00 H new ATOM 0 HG13 VAL B 72 1.576 -1.738 -15.581 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.028 -3.885 -14.057 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.625 -4.170 -14.651 1.00 0.00 H new ATOM 0 HG23 VAL B 72 1.244 -4.411 -12.930 1.00 0.00 H new ATOM 2036 N ARG B 73 3.943 -0.022 -13.345 1.00 0.00 N ATOM 2037 CA ARG B 73 4.230 1.313 -12.895 1.00 0.00 C ATOM 2038 C ARG B 73 3.091 2.194 -13.333 1.00 0.00 C ATOM 2039 O ARG B 73 2.827 2.350 -14.526 1.00 0.00 O ATOM 2040 CB ARG B 73 5.598 1.817 -13.425 1.00 0.00 C ATOM 2041 CG ARG B 73 6.143 3.101 -12.749 1.00 0.00 C ATOM 2042 CD ARG B 73 5.399 4.372 -13.150 1.00 0.00 C ATOM 2043 NE ARG B 73 5.580 4.711 -14.571 1.00 0.00 N ATOM 2044 CZ ARG B 73 4.649 5.260 -15.364 1.00 0.00 C ATOM 2045 NH1 ARG B 73 3.404 5.413 -14.922 1.00 0.00 N ATOM 2046 NH2 ARG B 73 4.961 5.646 -16.601 1.00 0.00 N ATOM 0 H ARG B 73 4.404 -0.294 -14.213 1.00 0.00 H new ATOM 0 HA ARG B 73 4.316 1.334 -11.809 1.00 0.00 H new ATOM 0 HB2 ARG B 73 6.332 1.021 -13.299 1.00 0.00 H new ATOM 0 HB3 ARG B 73 5.508 2.001 -14.496 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.085 2.983 -11.667 1.00 0.00 H new ATOM 0 HG3 ARG B 73 7.197 3.214 -13.001 1.00 0.00 H new ATOM 0 HD2 ARG B 73 4.336 4.247 -12.943 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.748 5.202 -12.535 1.00 0.00 H new ATOM 0 HE ARG B 73 6.490 4.512 -14.987 1.00 0.00 H new ATOM 0 HH11 ARG B 73 3.157 5.113 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG B 73 2.696 5.831 -15.526 1.00 0.00 H new ATOM 0 HH21 ARG B 73 5.912 5.524 -16.949 1.00 0.00 H new ATOM 0 HH22 ARG B 73 4.249 6.063 -17.200 1.00 0.00 H new ATOM 2060 N VAL B 74 2.426 2.753 -12.382 1.00 0.00 N ATOM 2061 CA VAL B 74 1.276 3.559 -12.621 1.00 0.00 C ATOM 2062 C VAL B 74 1.443 4.943 -12.006 1.00 0.00 C ATOM 2063 O VAL B 74 2.527 5.306 -11.496 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.034 2.882 -12.094 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.368 1.639 -12.898 1.00 0.00 C ATOM 2066 CG2 VAL B 74 0.098 2.516 -10.628 1.00 0.00 C ATOM 0 H VAL B 74 2.670 2.662 -11.396 1.00 0.00 H new ATOM 0 HA VAL B 74 1.180 3.666 -13.702 1.00 0.00 H new ATOM 0 HB VAL B 74 -0.843 3.604 -12.209 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.282 1.190 -12.510 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.512 1.910 -13.944 1.00 0.00 H new ATOM 0 HG13 VAL B 74 0.450 0.923 -12.818 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -0.825 2.047 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.927 1.821 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.286 3.417 -10.044 1.00 0.00 H new ATOM 2076 N THR B 75 0.411 5.709 -12.119 1.00 0.00 N ATOM 2077 CA THR B 75 0.317 7.031 -11.589 1.00 0.00 C ATOM 2078 C THR B 75 -1.017 7.137 -10.852 1.00 0.00 C ATOM 2079 O THR B 75 -1.890 6.292 -11.041 1.00 0.00 O ATOM 2080 CB THR B 75 0.383 8.091 -12.732 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.563 7.770 -13.773 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.784 8.189 -13.328 1.00 0.00 C ATOM 0 H THR B 75 -0.435 5.416 -12.609 1.00 0.00 H new ATOM 0 HA THR B 75 1.150 7.224 -10.913 1.00 0.00 H new ATOM 0 HB THR B 75 0.129 9.056 -12.294 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.265 6.968 -14.250 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.791 8.937 -14.121 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.491 8.478 -12.550 1.00 0.00 H new ATOM 0 HG23 THR B 75 2.073 7.222 -13.739 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.187 8.143 -10.041 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.428 8.311 -9.295 1.00 0.00 C ATOM 2092 C LEU B 76 -3.494 8.865 -10.189 1.00 0.00 C ATOM 2093 O LEU B 76 -4.681 8.580 -10.015 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.215 9.237 -8.120 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.246 8.742 -7.076 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -0.944 9.838 -6.098 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -1.816 7.549 -6.341 1.00 0.00 C ATOM 0 H LEU B 76 -0.488 8.866 -9.871 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.743 7.336 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -1.860 10.197 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.178 9.418 -7.642 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.327 8.438 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.243 9.473 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.503 10.684 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -1.866 10.155 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.101 7.207 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -2.747 7.834 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.011 6.744 -7.050 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.061 9.618 -11.166 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.949 10.252 -12.120 1.00 0.00 C ATOM 2111 C ASP B 77 -4.707 9.209 -12.936 1.00 0.00 C ATOM 2112 O ASP B 77 -5.859 9.415 -13.312 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.152 11.184 -13.043 1.00 0.00 C ATOM 2114 CG ASP B 77 -4.031 11.996 -13.968 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.589 13.026 -13.518 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -4.180 11.627 -15.159 1.00 0.00 O ATOM 0 H ASP B 77 -2.073 9.814 -11.328 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.681 10.844 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.551 11.861 -12.435 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.459 10.590 -13.639 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.091 8.063 -13.160 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.721 7.029 -13.960 1.00 0.00 C ATOM 2123 C GLU B 78 -5.543 6.054 -13.108 1.00 0.00 C ATOM 2124 O GLU B 78 -6.311 5.261 -13.655 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.689 6.269 -14.787 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.701 5.471 -13.966 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.656 4.822 -14.814 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -1.964 3.844 -15.517 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.504 5.283 -14.792 1.00 0.00 O ATOM 0 H GLU B 78 -3.165 7.826 -12.804 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.410 7.534 -14.637 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.210 5.593 -15.465 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.140 6.980 -15.405 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.221 6.127 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.234 4.706 -13.401 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.384 6.104 -11.787 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.121 5.194 -10.914 1.00 0.00 C ATOM 2138 C LEU B 79 -7.582 5.573 -10.896 1.00 0.00 C ATOM 2139 O LEU B 79 -8.410 4.838 -11.436 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.587 5.205 -9.483 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.114 4.874 -9.277 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.805 4.832 -7.799 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -3.737 3.563 -9.940 1.00 0.00 C ATOM 2144 OXT LEU B 79 -7.903 6.670 -10.391 1.00 0.00 O ATOM 0 H LEU B 79 -4.763 6.753 -11.304 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.991 4.189 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.771 6.194 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.175 4.497 -8.899 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.519 5.656 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.751 4.595 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -4.023 5.803 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.418 4.068 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -2.679 3.361 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.333 2.756 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -3.927 3.629 -11.011 1.00 0.00 H new