USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 24 ASN : amide:sc= -0.465 K(o=-0.95,f=-9.2!) USER MOD Set 1.2: B 24 ASN : amide:sc= -0.487 K(o=-0.95,f=-9.2!) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 0.00125 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 36:sc= 0.776 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ -154:sc= 0.00481 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 26:sc= 0.68 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 21.734 -18.336 -11.278 1.00 0.00 N ATOM 2 CA ARG A 1 21.709 -17.120 -12.143 1.00 0.00 C ATOM 3 C ARG A 1 20.274 -16.606 -12.293 1.00 0.00 C ATOM 4 O ARG A 1 19.343 -17.170 -11.753 1.00 0.00 O ATOM 5 CB ARG A 1 22.256 -17.582 -13.494 1.00 0.00 C ATOM 6 CG ARG A 1 23.270 -16.560 -14.011 1.00 0.00 C ATOM 7 CD ARG A 1 23.282 -16.580 -15.540 1.00 0.00 C ATOM 8 NE ARG A 1 22.837 -15.218 -15.946 1.00 0.00 N ATOM 9 CZ ARG A 1 23.339 -14.658 -17.013 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.991 -15.083 -18.197 1.00 0.00 N ATOM 11 NH2 ARG A 1 24.187 -13.673 -16.896 1.00 0.00 N ATOM 0 H1 ARG A 1 22.695 -18.478 -10.907 1.00 0.00 H new ATOM 0 H2 ARG A 1 21.071 -18.212 -10.486 1.00 0.00 H new ATOM 0 H3 ARG A 1 21.453 -19.166 -11.838 1.00 0.00 H new ATOM 0 HA ARG A 1 22.297 -16.304 -11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 1 22.728 -18.559 -13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 1 21.441 -17.695 -14.209 1.00 0.00 H new ATOM 0 HG2 ARG A 1 23.013 -15.563 -13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 1 24.263 -16.791 -13.626 1.00 0.00 H new ATOM 0 HD2 ARG A 1 24.278 -16.801 -15.924 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.613 -17.347 -15.930 1.00 0.00 H new ATOM 0 HE ARG A 1 22.140 -14.723 -15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.327 -15.852 -18.288 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.383 -14.646 -19.031 1.00 0.00 H new ATOM 0 HH21 ARG A 1 24.458 -13.340 -15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 1 24.579 -13.236 -17.730 1.00 0.00 H new ATOM 27 N MET A 2 20.089 -15.539 -13.022 1.00 0.00 N ATOM 28 CA MET A 2 18.714 -14.990 -13.205 1.00 0.00 C ATOM 29 C MET A 2 18.418 -14.795 -14.694 1.00 0.00 C ATOM 30 O MET A 2 19.270 -14.382 -15.457 1.00 0.00 O ATOM 31 CB MET A 2 18.726 -13.644 -12.480 1.00 0.00 C ATOM 32 CG MET A 2 18.528 -13.869 -10.980 1.00 0.00 C ATOM 33 SD MET A 2 16.828 -14.407 -10.670 1.00 0.00 S ATOM 34 CE MET A 2 16.847 -14.189 -8.873 1.00 0.00 C ATOM 0 H MET A 2 20.829 -15.024 -13.498 1.00 0.00 H new ATOM 0 HA MET A 2 17.946 -15.657 -12.813 1.00 0.00 H new ATOM 0 HB2 MET A 2 19.671 -13.131 -12.660 1.00 0.00 H new ATOM 0 HB3 MET A 2 17.936 -13.002 -12.869 1.00 0.00 H new ATOM 0 HG2 MET A 2 19.230 -14.620 -10.618 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.735 -12.949 -10.433 1.00 0.00 H new ATOM 0 HE1 MET A 2 15.877 -14.469 -8.462 1.00 0.00 H new ATOM 0 HE2 MET A 2 17.621 -14.821 -8.438 1.00 0.00 H new ATOM 0 HE3 MET A 2 17.055 -13.146 -8.635 1.00 0.00 H new ATOM 44 N LYS A 3 17.218 -15.089 -15.114 1.00 0.00 N ATOM 45 CA LYS A 3 16.872 -14.919 -16.554 1.00 0.00 C ATOM 46 C LYS A 3 15.350 -14.924 -16.737 1.00 0.00 C ATOM 47 O LYS A 3 14.832 -15.471 -17.688 1.00 0.00 O ATOM 48 CB LYS A 3 17.499 -16.123 -17.256 1.00 0.00 C ATOM 49 CG LYS A 3 17.994 -15.705 -18.643 1.00 0.00 C ATOM 50 CD LYS A 3 18.150 -16.944 -19.525 1.00 0.00 C ATOM 51 CE LYS A 3 17.726 -16.610 -20.957 1.00 0.00 C ATOM 52 NZ LYS A 3 18.965 -16.761 -21.770 1.00 0.00 N ATOM 0 H LYS A 3 16.463 -15.439 -14.524 1.00 0.00 H new ATOM 0 HA LYS A 3 17.238 -13.975 -16.958 1.00 0.00 H new ATOM 0 HB2 LYS A 3 18.328 -16.511 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.768 -16.926 -17.346 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.289 -15.009 -19.097 1.00 0.00 H new ATOM 0 HG3 LYS A 3 18.947 -15.184 -18.558 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.185 -17.285 -19.511 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.541 -17.760 -19.135 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.942 -17.283 -21.304 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.330 -15.597 -21.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.755 -16.548 -22.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.691 -16.103 -21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.315 -17.737 -21.691 1.00 0.00 H new ATOM 66 N LYS A 4 14.633 -14.316 -15.831 1.00 0.00 N ATOM 67 CA LYS A 4 13.146 -14.287 -15.955 1.00 0.00 C ATOM 68 C LYS A 4 12.607 -15.702 -16.180 1.00 0.00 C ATOM 69 O LYS A 4 11.600 -15.896 -16.832 1.00 0.00 O ATOM 70 CB LYS A 4 12.867 -13.406 -17.173 1.00 0.00 C ATOM 71 CG LYS A 4 12.927 -11.933 -16.763 1.00 0.00 C ATOM 72 CD LYS A 4 13.773 -11.155 -17.773 1.00 0.00 C ATOM 73 CE LYS A 4 13.086 -11.174 -19.141 1.00 0.00 C ATOM 74 NZ LYS A 4 13.452 -9.876 -19.774 1.00 0.00 N ATOM 0 H LYS A 4 15.011 -13.839 -15.012 1.00 0.00 H new ATOM 0 HA LYS A 4 12.664 -13.903 -15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.599 -13.607 -17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.886 -13.639 -17.587 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.921 -11.516 -16.718 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.356 -11.840 -15.765 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.906 -10.127 -17.436 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.767 -11.597 -17.848 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.427 -12.017 -19.742 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.005 -11.272 -19.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.017 -9.815 -20.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.108 -9.092 -19.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.486 -9.813 -19.865 1.00 0.00 H new ATOM 88 N LYS A 5 13.269 -16.692 -15.645 1.00 0.00 N ATOM 89 CA LYS A 5 12.792 -18.092 -15.829 1.00 0.00 C ATOM 90 C LYS A 5 11.414 -18.271 -15.184 1.00 0.00 C ATOM 91 O LYS A 5 10.445 -18.586 -15.845 1.00 0.00 O ATOM 92 CB LYS A 5 13.832 -18.963 -15.124 1.00 0.00 C ATOM 93 CG LYS A 5 13.604 -20.430 -15.489 1.00 0.00 C ATOM 94 CD LYS A 5 12.976 -21.160 -14.300 1.00 0.00 C ATOM 95 CE LYS A 5 12.369 -22.483 -14.773 1.00 0.00 C ATOM 96 NZ LYS A 5 11.743 -23.073 -13.557 1.00 0.00 N ATOM 0 H LYS A 5 14.118 -16.592 -15.089 1.00 0.00 H new ATOM 0 HA LYS A 5 12.687 -18.356 -16.881 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.836 -18.657 -15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.760 -18.831 -14.044 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.952 -20.502 -16.359 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.550 -20.900 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.730 -21.347 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.206 -20.538 -13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.631 -22.321 -15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.132 -23.143 -15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.304 -23.984 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.471 -23.222 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.016 -22.425 -13.192 1.00 0.00 H new ATOM 110 N ASP A 6 11.321 -18.069 -13.898 1.00 0.00 N ATOM 111 CA ASP A 6 10.005 -18.224 -13.214 1.00 0.00 C ATOM 112 C ASP A 6 8.962 -17.309 -13.862 1.00 0.00 C ATOM 113 O ASP A 6 9.100 -16.102 -13.866 1.00 0.00 O ATOM 114 CB ASP A 6 10.261 -17.804 -11.766 1.00 0.00 C ATOM 115 CG ASP A 6 9.797 -18.915 -10.821 1.00 0.00 C ATOM 116 OD1 ASP A 6 8.621 -19.235 -10.849 1.00 0.00 O ATOM 117 OD2 ASP A 6 10.627 -19.425 -10.087 1.00 0.00 O ATOM 0 H ASP A 6 12.097 -17.804 -13.292 1.00 0.00 H new ATOM 0 HA ASP A 6 9.620 -19.242 -13.282 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.322 -17.605 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.729 -16.879 -11.545 1.00 0.00 H new ATOM 122 N GLU A 7 7.919 -17.873 -14.409 1.00 0.00 N ATOM 123 CA GLU A 7 6.871 -17.030 -15.055 1.00 0.00 C ATOM 124 C GLU A 7 5.562 -17.115 -14.265 1.00 0.00 C ATOM 125 O GLU A 7 4.941 -18.157 -14.182 1.00 0.00 O ATOM 126 CB GLU A 7 6.693 -17.623 -16.454 1.00 0.00 C ATOM 127 CG GLU A 7 5.700 -16.771 -17.247 1.00 0.00 C ATOM 128 CD GLU A 7 6.006 -16.884 -18.741 1.00 0.00 C ATOM 129 OE1 GLU A 7 7.176 -16.925 -19.085 1.00 0.00 O ATOM 130 OE2 GLU A 7 5.065 -16.929 -19.517 1.00 0.00 O ATOM 0 H GLU A 7 7.747 -18.878 -14.437 1.00 0.00 H new ATOM 0 HA GLU A 7 7.152 -15.977 -15.091 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.652 -17.658 -16.971 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.332 -18.649 -16.382 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.681 -17.103 -17.048 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.764 -15.730 -16.930 1.00 0.00 H new ATOM 137 N GLY A 8 5.138 -16.026 -13.684 1.00 0.00 N ATOM 138 CA GLY A 8 3.870 -16.043 -12.900 1.00 0.00 C ATOM 139 C GLY A 8 2.772 -15.329 -13.690 1.00 0.00 C ATOM 140 O GLY A 8 2.660 -14.120 -13.662 1.00 0.00 O ATOM 0 H GLY A 8 5.615 -15.125 -13.718 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.573 -17.071 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.018 -15.552 -11.938 1.00 0.00 H new ATOM 144 N SER A 9 1.960 -16.069 -14.395 1.00 0.00 N ATOM 145 CA SER A 9 0.868 -15.432 -15.186 1.00 0.00 C ATOM 146 C SER A 9 -0.497 -15.810 -14.607 1.00 0.00 C ATOM 147 O SER A 9 -0.849 -16.971 -14.530 1.00 0.00 O ATOM 148 CB SER A 9 1.026 -15.992 -16.599 1.00 0.00 C ATOM 149 OG SER A 9 0.892 -17.406 -16.560 1.00 0.00 O ATOM 0 H SER A 9 2.005 -17.086 -14.458 1.00 0.00 H new ATOM 0 HA SER A 9 0.927 -14.344 -15.169 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.273 -15.562 -17.260 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.000 -15.718 -17.005 1.00 0.00 H new ATOM 0 HG SER A 9 0.225 -17.653 -15.886 1.00 0.00 H new ATOM 155 N TYR A 10 -1.267 -14.840 -14.199 1.00 0.00 N ATOM 156 CA TYR A 10 -2.609 -15.140 -13.624 1.00 0.00 C ATOM 157 C TYR A 10 -3.505 -13.904 -13.718 1.00 0.00 C ATOM 158 O TYR A 10 -4.616 -13.962 -14.209 1.00 0.00 O ATOM 159 CB TYR A 10 -2.342 -15.498 -12.162 1.00 0.00 C ATOM 160 CG TYR A 10 -2.066 -16.977 -12.044 1.00 0.00 C ATOM 161 CD1 TYR A 10 -3.106 -17.900 -12.215 1.00 0.00 C ATOM 162 CD2 TYR A 10 -0.770 -17.428 -11.760 1.00 0.00 C ATOM 163 CE1 TYR A 10 -2.851 -19.273 -12.105 1.00 0.00 C ATOM 164 CE2 TYR A 10 -0.514 -18.801 -11.649 1.00 0.00 C ATOM 165 CZ TYR A 10 -1.555 -19.724 -11.821 1.00 0.00 C ATOM 166 OH TYR A 10 -1.304 -21.076 -11.711 1.00 0.00 O ATOM 0 H TYR A 10 -1.025 -13.850 -14.239 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.118 -15.946 -14.153 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.492 -14.928 -11.787 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.202 -15.228 -11.548 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.105 -17.553 -12.432 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.032 -16.717 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.653 -19.984 -12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.485 -19.148 -11.431 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.355 -21.217 -11.512 1.00 0.00 H new ATOM 176 N ASP A 11 -3.028 -12.785 -13.249 1.00 0.00 N ATOM 177 CA ASP A 11 -3.841 -11.538 -13.307 1.00 0.00 C ATOM 178 C ASP A 11 -2.928 -10.317 -13.182 1.00 0.00 C ATOM 179 O ASP A 11 -3.049 -9.529 -12.265 1.00 0.00 O ATOM 180 CB ASP A 11 -4.788 -11.628 -12.108 1.00 0.00 C ATOM 181 CG ASP A 11 -6.197 -11.967 -12.595 1.00 0.00 C ATOM 182 OD1 ASP A 11 -6.941 -11.045 -12.885 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.508 -13.144 -12.671 1.00 0.00 O ATOM 0 H ASP A 11 -2.106 -12.680 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.385 -11.437 -14.246 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.439 -12.391 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.797 -10.682 -11.566 1.00 0.00 H new ATOM 188 N LEU A 12 -2.011 -10.158 -14.096 1.00 0.00 N ATOM 189 CA LEU A 12 -1.088 -8.994 -14.031 1.00 0.00 C ATOM 190 C LEU A 12 -0.606 -8.624 -15.435 1.00 0.00 C ATOM 191 O LEU A 12 -0.082 -9.446 -16.160 1.00 0.00 O ATOM 192 CB LEU A 12 0.081 -9.463 -13.166 1.00 0.00 C ATOM 193 CG LEU A 12 1.227 -8.455 -13.269 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.696 -7.051 -12.977 1.00 0.00 C ATOM 195 CD2 LEU A 12 2.311 -8.814 -12.252 1.00 0.00 C ATOM 0 H LEU A 12 -1.862 -10.786 -14.886 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.568 -8.107 -13.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.238 -9.563 -12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.417 -10.447 -13.493 1.00 0.00 H new ATOM 0 HG LEU A 12 1.649 -8.482 -14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.511 -6.331 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.078 -6.797 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.276 -7.023 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.129 -8.097 -12.324 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.891 -8.786 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.687 -9.816 -12.460 1.00 0.00 H new ATOM 207 N GLY A 13 -0.778 -7.391 -15.823 1.00 0.00 N ATOM 208 CA GLY A 13 -0.329 -6.966 -17.179 1.00 0.00 C ATOM 209 C GLY A 13 -0.317 -5.438 -17.253 1.00 0.00 C ATOM 210 O GLY A 13 0.654 -4.835 -17.664 1.00 0.00 O ATOM 0 H GLY A 13 -1.210 -6.659 -15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.667 -7.359 -17.385 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.996 -7.373 -17.939 1.00 0.00 H new ATOM 214 N LYS A 14 -1.387 -4.809 -16.853 1.00 0.00 N ATOM 215 CA LYS A 14 -1.437 -3.321 -16.896 1.00 0.00 C ATOM 216 C LYS A 14 -0.860 -2.737 -15.604 1.00 0.00 C ATOM 217 O LYS A 14 -0.591 -3.449 -14.657 1.00 0.00 O ATOM 218 CB LYS A 14 -2.921 -2.976 -17.025 1.00 0.00 C ATOM 219 CG LYS A 14 -3.414 -3.361 -18.421 1.00 0.00 C ATOM 220 CD LYS A 14 -4.845 -2.856 -18.614 1.00 0.00 C ATOM 221 CE LYS A 14 -4.840 -1.659 -19.566 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.532 -2.142 -20.792 1.00 0.00 N ATOM 0 H LYS A 14 -2.229 -5.261 -16.498 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.852 -2.912 -17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.496 -3.506 -16.266 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.074 -1.910 -16.855 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.760 -2.932 -19.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.379 -4.443 -18.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.471 -3.652 -19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.273 -2.569 -17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.359 -0.805 -19.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.823 -1.335 -19.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.569 -1.376 -21.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.012 -2.951 -21.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.500 -2.437 -20.551 1.00 0.00 H new ATOM 236 N LYS A 15 -0.669 -1.448 -15.559 1.00 0.00 N ATOM 237 CA LYS A 15 -0.109 -0.820 -14.327 1.00 0.00 C ATOM 238 C LYS A 15 -0.679 0.588 -14.146 1.00 0.00 C ATOM 239 O LYS A 15 -1.115 1.208 -15.096 1.00 0.00 O ATOM 240 CB LYS A 15 1.400 -0.761 -14.566 1.00 0.00 C ATOM 241 CG LYS A 15 1.690 0.123 -15.780 1.00 0.00 C ATOM 242 CD LYS A 15 3.074 -0.215 -16.339 1.00 0.00 C ATOM 243 CE LYS A 15 4.085 0.829 -15.860 1.00 0.00 C ATOM 244 NZ LYS A 15 5.006 1.028 -17.012 1.00 0.00 N ATOM 0 H LYS A 15 -0.876 -0.802 -16.321 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.358 -1.381 -13.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.903 -0.363 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.792 -1.764 -14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.929 -0.031 -16.545 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.648 1.174 -15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.378 -1.209 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.043 -0.235 -17.428 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.590 1.760 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.624 0.481 -14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.729 1.732 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.467 0.126 -17.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.466 1.365 -17.834 1.00 0.00 H new ATOM 258 N PRO A 16 -0.655 1.047 -12.925 1.00 0.00 N ATOM 259 CA PRO A 16 -1.176 2.398 -12.610 1.00 0.00 C ATOM 260 C PRO A 16 -0.204 3.474 -13.103 1.00 0.00 C ATOM 261 O PRO A 16 0.964 3.218 -13.321 1.00 0.00 O ATOM 262 CB PRO A 16 -1.263 2.402 -11.088 1.00 0.00 C ATOM 263 CG PRO A 16 -0.263 1.384 -10.638 1.00 0.00 C ATOM 264 CD PRO A 16 -0.150 0.356 -11.734 1.00 0.00 C ATOM 0 HA PRO A 16 -2.132 2.611 -13.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.032 3.387 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.267 2.145 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.703 1.852 -10.448 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.581 0.918 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.881 0.029 -11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.739 -0.533 -11.509 1.00 0.00 H new ATOM 272 N ILE A 17 -0.679 4.676 -13.285 1.00 0.00 N ATOM 273 CA ILE A 17 0.207 5.768 -13.765 1.00 0.00 C ATOM 274 C ILE A 17 -0.362 7.127 -13.348 1.00 0.00 C ATOM 275 O ILE A 17 -0.529 8.015 -14.160 1.00 0.00 O ATOM 276 CB ILE A 17 0.216 5.632 -15.288 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.204 5.354 -15.791 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.134 4.480 -15.696 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.234 5.436 -17.317 1.00 0.00 C ATOM 0 H ILE A 17 -1.648 4.947 -13.120 1.00 0.00 H new ATOM 0 HA ILE A 17 1.211 5.702 -13.347 1.00 0.00 H new ATOM 0 HB ILE A 17 0.581 6.560 -15.728 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.530 4.367 -15.464 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.900 6.077 -15.364 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.138 4.385 -16.782 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.146 4.680 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.773 3.552 -15.252 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.245 5.238 -17.672 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.927 6.433 -17.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.551 4.696 -17.735 1.00 0.00 H new ATOM 291 N TYR A 18 -0.664 7.294 -12.088 1.00 0.00 N ATOM 292 CA TYR A 18 -1.228 8.594 -11.617 1.00 0.00 C ATOM 293 C TYR A 18 -0.161 9.692 -11.662 1.00 0.00 C ATOM 294 O TYR A 18 0.849 9.566 -12.327 1.00 0.00 O ATOM 295 CB TYR A 18 -1.665 8.334 -10.175 1.00 0.00 C ATOM 296 CG TYR A 18 -3.128 8.681 -10.018 1.00 0.00 C ATOM 297 CD1 TYR A 18 -3.653 9.813 -10.656 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.958 7.870 -9.232 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.008 10.133 -10.509 1.00 0.00 C ATOM 300 CE2 TYR A 18 -5.314 8.192 -9.085 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.839 9.323 -9.723 1.00 0.00 C ATOM 302 OH TYR A 18 -7.175 9.638 -9.579 1.00 0.00 O ATOM 0 H TYR A 18 -0.545 6.586 -11.363 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.053 8.933 -12.243 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.499 7.288 -9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.064 8.931 -9.489 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.013 10.438 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.553 6.998 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.413 11.005 -11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.954 7.568 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.608 8.973 -9.003 1.00 0.00 H new ATOM 312 N LYS A 19 -0.381 10.770 -10.957 1.00 0.00 N ATOM 313 CA LYS A 19 0.613 11.882 -10.951 1.00 0.00 C ATOM 314 C LYS A 19 0.882 12.364 -12.379 1.00 0.00 C ATOM 315 O LYS A 19 1.752 11.861 -13.061 1.00 0.00 O ATOM 316 CB LYS A 19 1.880 11.285 -10.338 1.00 0.00 C ATOM 317 CG LYS A 19 2.262 12.074 -9.083 1.00 0.00 C ATOM 318 CD LYS A 19 2.808 13.446 -9.486 1.00 0.00 C ATOM 319 CE LYS A 19 3.901 13.871 -8.503 1.00 0.00 C ATOM 320 NZ LYS A 19 3.990 15.352 -8.640 1.00 0.00 N ATOM 0 H LYS A 19 -1.209 10.928 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 19 0.258 12.745 -10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.716 10.237 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.695 11.315 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.392 12.193 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.011 11.527 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.210 13.406 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.004 14.182 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.647 13.584 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.852 13.395 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.720 15.717 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.240 15.596 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.072 15.779 -8.400 1.00 0.00 H new ATOM 334 N LYS A 20 0.143 13.338 -12.834 1.00 0.00 N ATOM 335 CA LYS A 20 0.359 13.855 -14.215 1.00 0.00 C ATOM 336 C LYS A 20 1.607 14.741 -14.254 1.00 0.00 C ATOM 337 O LYS A 20 2.361 14.807 -13.303 1.00 0.00 O ATOM 338 CB LYS A 20 -0.891 14.679 -14.529 1.00 0.00 C ATOM 339 CG LYS A 20 -1.586 14.105 -15.767 1.00 0.00 C ATOM 340 CD LYS A 20 -1.047 14.796 -17.021 1.00 0.00 C ATOM 341 CE LYS A 20 -2.110 14.754 -18.123 1.00 0.00 C ATOM 342 NZ LYS A 20 -1.497 15.472 -19.274 1.00 0.00 N ATOM 0 H LYS A 20 -0.601 13.798 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 20 0.512 13.054 -14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.572 14.665 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.619 15.720 -14.702 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.414 13.030 -15.828 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.664 14.251 -15.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.783 15.829 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.137 14.301 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.364 13.728 -18.388 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.032 15.238 -17.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.166 15.486 -20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.272 16.448 -18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.625 14.985 -19.563 1.00 0.00 H new ATOM 356 N ALA A 21 1.829 15.424 -15.342 1.00 0.00 N ATOM 357 CA ALA A 21 3.028 16.306 -15.434 1.00 0.00 C ATOM 358 C ALA A 21 2.831 17.557 -14.575 1.00 0.00 C ATOM 359 O ALA A 21 1.773 17.766 -14.015 1.00 0.00 O ATOM 360 CB ALA A 21 3.132 16.680 -16.912 1.00 0.00 C ATOM 0 H ALA A 21 1.234 15.411 -16.170 1.00 0.00 H new ATOM 0 HA ALA A 21 3.932 15.814 -15.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.993 17.331 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.252 15.776 -17.509 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.225 17.201 -17.220 1.00 0.00 H new ATOM 366 N PRO A 22 3.864 18.350 -14.501 1.00 0.00 N ATOM 367 CA PRO A 22 3.811 19.600 -13.704 1.00 0.00 C ATOM 368 C PRO A 22 2.943 20.645 -14.410 1.00 0.00 C ATOM 369 O PRO A 22 3.435 21.624 -14.933 1.00 0.00 O ATOM 370 CB PRO A 22 5.268 20.050 -13.648 1.00 0.00 C ATOM 371 CG PRO A 22 5.909 19.439 -14.854 1.00 0.00 C ATOM 372 CD PRO A 22 5.166 18.161 -15.148 1.00 0.00 C ATOM 0 HA PRO A 22 3.375 19.461 -12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.346 21.137 -13.668 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.750 19.712 -12.731 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.858 20.119 -15.704 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.964 19.238 -14.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.059 17.999 -16.221 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.689 17.294 -14.746 1.00 0.00 H new ATOM 380 N THR A 23 1.653 20.442 -14.431 1.00 0.00 N ATOM 381 CA THR A 23 0.755 21.424 -15.105 1.00 0.00 C ATOM 382 C THR A 23 -0.622 21.429 -14.436 1.00 0.00 C ATOM 383 O THR A 23 -0.846 20.756 -13.448 1.00 0.00 O ATOM 384 CB THR A 23 0.646 20.931 -16.549 1.00 0.00 C ATOM 385 OG1 THR A 23 0.254 19.566 -16.552 1.00 0.00 O ATOM 386 CG2 THR A 23 1.999 21.076 -17.244 1.00 0.00 C ATOM 0 H THR A 23 1.183 19.640 -14.011 1.00 0.00 H new ATOM 0 HA THR A 23 1.139 22.442 -15.048 1.00 0.00 H new ATOM 0 HB THR A 23 -0.097 21.525 -17.081 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.182 19.248 -17.476 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.919 20.724 -18.273 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.299 22.124 -17.241 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.745 20.483 -16.715 1.00 0.00 H new ATOM 394 N ASN A 24 -1.547 22.181 -14.968 1.00 0.00 N ATOM 395 CA ASN A 24 -2.910 22.229 -14.363 1.00 0.00 C ATOM 396 C ASN A 24 -3.875 21.355 -15.166 1.00 0.00 C ATOM 397 O ASN A 24 -4.617 20.564 -14.618 1.00 0.00 O ATOM 398 CB ASN A 24 -3.325 23.699 -14.442 1.00 0.00 C ATOM 399 CG ASN A 24 -2.506 24.516 -13.442 1.00 0.00 C ATOM 400 OD1 ASN A 24 -1.334 24.260 -13.247 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.076 25.495 -12.795 1.00 0.00 N ATOM 0 H ASN A 24 -1.418 22.764 -15.795 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.922 21.856 -13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.168 24.078 -15.452 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.388 23.800 -14.225 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.538 26.045 -12.126 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.060 25.710 -12.959 1.00 0.00 H new ATOM 408 N GLU A 25 -3.872 21.492 -16.465 1.00 0.00 N ATOM 409 CA GLU A 25 -4.790 20.669 -17.303 1.00 0.00 C ATOM 410 C GLU A 25 -3.991 19.871 -18.333 1.00 0.00 C ATOM 411 O GLU A 25 -3.720 18.699 -18.156 1.00 0.00 O ATOM 412 CB GLU A 25 -5.705 21.680 -17.996 1.00 0.00 C ATOM 413 CG GLU A 25 -7.148 21.456 -17.542 1.00 0.00 C ATOM 414 CD GLU A 25 -8.048 22.533 -18.153 1.00 0.00 C ATOM 415 OE1 GLU A 25 -7.752 23.702 -17.963 1.00 0.00 O ATOM 416 OE2 GLU A 25 -9.017 22.171 -18.800 1.00 0.00 O ATOM 0 H GLU A 25 -3.274 22.138 -16.981 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.355 19.947 -16.713 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.390 22.696 -17.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.632 21.571 -19.078 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.487 20.467 -17.848 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.208 21.491 -16.454 1.00 0.00 H new ATOM 423 N PHE A 26 -3.615 20.498 -19.407 1.00 0.00 N ATOM 424 CA PHE A 26 -2.832 19.785 -20.456 1.00 0.00 C ATOM 425 C PHE A 26 -1.643 20.642 -20.899 1.00 0.00 C ATOM 426 O PHE A 26 -0.502 20.327 -20.624 1.00 0.00 O ATOM 427 CB PHE A 26 -3.812 19.583 -21.612 1.00 0.00 C ATOM 428 CG PHE A 26 -4.586 18.304 -21.397 1.00 0.00 C ATOM 429 CD1 PHE A 26 -3.992 17.069 -21.685 1.00 0.00 C ATOM 430 CD2 PHE A 26 -5.899 18.353 -20.908 1.00 0.00 C ATOM 431 CE1 PHE A 26 -4.709 15.882 -21.485 1.00 0.00 C ATOM 432 CE2 PHE A 26 -6.616 17.166 -20.708 1.00 0.00 C ATOM 433 CZ PHE A 26 -6.020 15.930 -20.997 1.00 0.00 C ATOM 0 H PHE A 26 -3.815 21.478 -19.608 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.425 18.839 -20.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.497 20.429 -21.675 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.272 19.539 -22.558 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.980 17.031 -22.062 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.358 19.305 -20.686 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.250 14.930 -21.707 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.628 17.203 -20.331 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.573 15.015 -20.843 1.00 0.00 H new ATOM 443 N TYR A 27 -1.900 21.724 -21.582 1.00 0.00 N ATOM 444 CA TYR A 27 -0.782 22.600 -22.040 1.00 0.00 C ATOM 445 C TYR A 27 -1.187 24.073 -21.934 1.00 0.00 C ATOM 446 O TYR A 27 -2.342 24.397 -21.743 1.00 0.00 O ATOM 447 CB TYR A 27 -0.543 22.210 -23.498 1.00 0.00 C ATOM 448 CG TYR A 27 0.732 21.409 -23.601 1.00 0.00 C ATOM 449 CD1 TYR A 27 0.710 20.024 -23.392 1.00 0.00 C ATOM 450 CD2 TYR A 27 1.941 22.052 -23.902 1.00 0.00 C ATOM 451 CE1 TYR A 27 1.894 19.282 -23.484 1.00 0.00 C ATOM 452 CE2 TYR A 27 3.125 21.309 -23.995 1.00 0.00 C ATOM 453 CZ TYR A 27 3.102 19.924 -23.786 1.00 0.00 C ATOM 454 OH TYR A 27 4.269 19.192 -23.876 1.00 0.00 O ATOM 0 H TYR A 27 -2.834 22.040 -21.843 1.00 0.00 H new ATOM 0 HA TYR A 27 0.116 22.475 -21.435 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.384 21.626 -23.872 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.475 23.104 -24.118 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.221 19.528 -23.160 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.960 23.120 -24.062 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.876 18.214 -23.322 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.056 21.804 -24.228 1.00 0.00 H new ATOM 0 HH TYR A 27 5.014 19.790 -24.094 1.00 0.00 H new ATOM 464 N ALA A 28 -0.242 24.966 -22.052 1.00 0.00 N ATOM 465 CA ALA A 28 -0.571 26.417 -21.957 1.00 0.00 C ATOM 466 C ALA A 28 -1.060 26.940 -23.310 1.00 0.00 C ATOM 467 O ALA A 28 -1.391 28.112 -23.386 1.00 0.00 O ATOM 468 CB ALA A 28 0.742 27.095 -21.563 1.00 0.00 C ATOM 469 OXT ALA A 28 -1.097 26.159 -24.247 1.00 0.00 O ATOM 0 H ALA A 28 0.743 24.754 -22.210 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.365 26.614 -21.236 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.584 28.170 -21.472 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.085 26.697 -20.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.495 26.902 -22.328 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 -27.573 -16.095 -20.513 1.00 0.00 N ATOM 477 CA ARG B 1 -27.486 -15.072 -19.431 1.00 0.00 C ATOM 478 C ARG B 1 -26.026 -14.677 -19.193 1.00 0.00 C ATOM 479 O ARG B 1 -25.125 -15.176 -19.837 1.00 0.00 O ATOM 480 CB ARG B 1 -28.064 -15.757 -18.192 1.00 0.00 C ATOM 481 CG ARG B 1 -29.026 -14.802 -17.482 1.00 0.00 C ATOM 482 CD ARG B 1 -29.048 -15.119 -15.986 1.00 0.00 C ATOM 483 NE ARG B 1 -28.531 -13.889 -15.324 1.00 0.00 N ATOM 484 CZ ARG B 1 -29.008 -13.521 -14.166 1.00 0.00 C ATOM 485 NH1 ARG B 1 -28.691 -14.185 -13.090 1.00 0.00 N ATOM 486 NH2 ARG B 1 -29.799 -12.487 -14.086 1.00 0.00 N ATOM 0 H1 ARG B 1 -28.506 -16.040 -20.968 1.00 0.00 H new ATOM 0 H2 ARG B 1 -26.832 -15.916 -21.220 1.00 0.00 H new ATOM 0 H3 ARG B 1 -27.441 -17.043 -20.106 1.00 0.00 H new ATOM 0 HA ARG B 1 -28.025 -14.159 -19.682 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -28.586 -16.670 -18.479 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -27.260 -16.049 -17.516 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -28.714 -13.770 -17.641 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -30.028 -14.900 -17.900 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -30.057 -15.355 -15.647 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -28.424 -15.983 -15.756 1.00 0.00 H new ATOM 0 HE ARG B 1 -27.804 -13.334 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -28.070 -14.992 -13.153 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -29.064 -13.898 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -30.045 -11.966 -14.928 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -30.172 -12.199 -13.181 1.00 0.00 H new ATOM 502 N MET B 2 -25.787 -13.785 -18.271 1.00 0.00 N ATOM 503 CA MET B 2 -24.386 -13.358 -17.990 1.00 0.00 C ATOM 504 C MET B 2 -24.089 -13.475 -16.492 1.00 0.00 C ATOM 505 O MET B 2 -24.923 -13.178 -15.660 1.00 0.00 O ATOM 506 CB MET B 2 -24.319 -11.899 -18.439 1.00 0.00 C ATOM 507 CG MET B 2 -24.126 -11.838 -19.955 1.00 0.00 C ATOM 508 SD MET B 2 -22.456 -12.398 -20.374 1.00 0.00 S ATOM 509 CE MET B 2 -22.451 -11.833 -22.093 1.00 0.00 C ATOM 0 H MET B 2 -26.501 -13.333 -17.700 1.00 0.00 H new ATOM 0 HA MET B 2 -23.653 -13.977 -18.508 1.00 0.00 H new ATOM 0 HB2 MET B 2 -25.235 -11.379 -18.157 1.00 0.00 H new ATOM 0 HB3 MET B 2 -23.496 -11.391 -17.937 1.00 0.00 H new ATOM 0 HG2 MET B 2 -24.867 -12.465 -20.452 1.00 0.00 H new ATOM 0 HG3 MET B 2 -24.280 -10.819 -20.311 1.00 0.00 H new ATOM 0 HE1 MET B 2 -21.495 -12.080 -22.555 1.00 0.00 H new ATOM 0 HE2 MET B 2 -23.256 -12.324 -22.640 1.00 0.00 H new ATOM 0 HE3 MET B 2 -22.599 -10.753 -22.122 1.00 0.00 H new ATOM 519 N LYS B 3 -22.908 -13.906 -16.144 1.00 0.00 N ATOM 520 CA LYS B 3 -22.561 -14.041 -14.700 1.00 0.00 C ATOM 521 C LYS B 3 -21.044 -14.165 -14.529 1.00 0.00 C ATOM 522 O LYS B 3 -20.563 -14.915 -13.703 1.00 0.00 O ATOM 523 CB LYS B 3 -23.259 -15.323 -14.242 1.00 0.00 C ATOM 524 CG LYS B 3 -23.738 -15.157 -12.798 1.00 0.00 C ATOM 525 CD LYS B 3 -23.967 -16.534 -12.173 1.00 0.00 C ATOM 526 CE LYS B 3 -23.533 -16.508 -10.705 1.00 0.00 C ATOM 527 NZ LYS B 3 -24.784 -16.746 -9.930 1.00 0.00 N ATOM 0 H LYS B 3 -22.169 -14.170 -16.795 1.00 0.00 H new ATOM 0 HA LYS B 3 -22.876 -13.175 -14.118 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -24.105 -15.542 -14.894 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -22.574 -16.168 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -22.999 -14.602 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -24.661 -14.578 -12.774 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -25.019 -16.808 -12.247 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -23.401 -17.290 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -22.789 -17.277 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -23.082 -15.551 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -24.568 -16.742 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -25.471 -15.994 -10.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -25.187 -17.668 -10.195 1.00 0.00 H new ATOM 541 N LYS B 4 -20.290 -13.434 -15.302 1.00 0.00 N ATOM 542 CA LYS B 4 -18.805 -13.511 -15.182 1.00 0.00 C ATOM 543 C LYS B 4 -18.345 -14.970 -15.238 1.00 0.00 C ATOM 544 O LYS B 4 -17.355 -15.343 -14.641 1.00 0.00 O ATOM 545 CB LYS B 4 -18.485 -12.901 -13.817 1.00 0.00 C ATOM 546 CG LYS B 4 -18.460 -11.375 -13.933 1.00 0.00 C ATOM 547 CD LYS B 4 -19.268 -10.763 -12.787 1.00 0.00 C ATOM 548 CE LYS B 4 -18.591 -11.086 -11.453 1.00 0.00 C ATOM 549 NZ LYS B 4 -18.890 -9.918 -10.578 1.00 0.00 N ATOM 0 H LYS B 4 -20.636 -12.787 -16.011 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.298 -12.986 -15.992 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.232 -13.209 -13.085 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -17.521 -13.265 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -17.432 -11.014 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -18.877 -11.066 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -19.342 -9.683 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.285 -11.156 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -18.981 -12.010 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -17.517 -11.221 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -18.458 -10.065 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.501 -9.054 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.920 -9.818 -10.472 1.00 0.00 H new ATOM 563 N LYS B 5 -19.056 -15.800 -15.951 1.00 0.00 N ATOM 564 CA LYS B 5 -18.658 -17.234 -16.045 1.00 0.00 C ATOM 565 C LYS B 5 -17.289 -17.358 -16.717 1.00 0.00 C ATOM 566 O LYS B 5 -16.343 -17.851 -16.136 1.00 0.00 O ATOM 567 CB LYS B 5 -19.739 -17.892 -16.903 1.00 0.00 C ATOM 568 CG LYS B 5 -19.593 -19.414 -16.832 1.00 0.00 C ATOM 569 CD LYS B 5 -19.002 -19.931 -18.144 1.00 0.00 C ATOM 570 CE LYS B 5 -18.470 -21.351 -17.941 1.00 0.00 C ATOM 571 NZ LYS B 5 -17.871 -21.729 -19.251 1.00 0.00 N ATOM 0 H LYS B 5 -19.895 -15.548 -16.473 1.00 0.00 H new ATOM 0 HA LYS B 5 -18.575 -17.705 -15.065 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -20.727 -17.594 -16.553 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -19.653 -17.556 -17.936 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -18.949 -19.690 -15.997 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -20.564 -19.875 -16.651 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -19.762 -19.925 -18.925 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -18.198 -19.274 -18.477 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -17.728 -21.384 -17.143 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -19.270 -22.036 -17.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -17.484 -22.692 -19.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -18.602 -21.695 -19.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.108 -21.064 -19.489 1.00 0.00 H new ATOM 585 N ASP B 6 -17.176 -16.913 -17.940 1.00 0.00 N ATOM 586 CA ASP B 6 -15.866 -17.005 -18.648 1.00 0.00 C ATOM 587 C ASP B 6 -14.779 -16.290 -17.843 1.00 0.00 C ATOM 588 O ASP B 6 -14.848 -15.099 -17.607 1.00 0.00 O ATOM 589 CB ASP B 6 -16.091 -16.301 -19.987 1.00 0.00 C ATOM 590 CG ASP B 6 -15.684 -17.232 -21.129 1.00 0.00 C ATOM 591 OD1 ASP B 6 -14.527 -17.616 -21.170 1.00 0.00 O ATOM 592 OD2 ASP B 6 -16.536 -17.547 -21.944 1.00 0.00 O ATOM 0 H ASP B 6 -17.932 -16.491 -18.478 1.00 0.00 H new ATOM 0 HA ASP B 6 -15.538 -18.036 -18.779 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -17.139 -16.019 -20.090 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -15.508 -15.381 -20.029 1.00 0.00 H new ATOM 597 N GLU B 7 -13.774 -17.006 -17.419 1.00 0.00 N ATOM 598 CA GLU B 7 -12.683 -16.366 -16.628 1.00 0.00 C ATOM 599 C GLU B 7 -11.378 -16.366 -17.426 1.00 0.00 C ATOM 600 O GLU B 7 -10.815 -17.404 -17.713 1.00 0.00 O ATOM 601 CB GLU B 7 -12.547 -17.229 -15.375 1.00 0.00 C ATOM 602 CG GLU B 7 -11.513 -16.607 -14.436 1.00 0.00 C ATOM 603 CD GLU B 7 -11.837 -16.993 -12.992 1.00 0.00 C ATOM 604 OE1 GLU B 7 -13.010 -17.035 -12.661 1.00 0.00 O ATOM 605 OE2 GLU B 7 -10.907 -17.238 -12.242 1.00 0.00 O ATOM 0 H GLU B 7 -13.660 -18.006 -17.586 1.00 0.00 H new ATOM 0 HA GLU B 7 -12.904 -15.326 -16.386 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -13.510 -17.310 -14.870 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -12.244 -18.240 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -10.513 -16.951 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -11.515 -15.522 -14.543 1.00 0.00 H new ATOM 612 N GLY B 8 -10.891 -15.210 -17.787 1.00 0.00 N ATOM 613 CA GLY B 8 -9.622 -15.146 -18.565 1.00 0.00 C ATOM 614 C GLY B 8 -8.490 -14.662 -17.658 1.00 0.00 C ATOM 615 O GLY B 8 -8.308 -13.479 -17.452 1.00 0.00 O ATOM 0 H GLY B 8 -11.317 -14.308 -17.577 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -9.382 -16.129 -18.971 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -9.737 -14.471 -19.413 1.00 0.00 H new ATOM 619 N SER B 9 -7.726 -15.569 -17.112 1.00 0.00 N ATOM 620 CA SER B 9 -6.606 -15.160 -16.218 1.00 0.00 C ATOM 621 C SER B 9 -5.260 -15.493 -16.867 1.00 0.00 C ATOM 622 O SER B 9 -4.970 -16.634 -17.167 1.00 0.00 O ATOM 623 CB SER B 9 -6.801 -15.976 -14.941 1.00 0.00 C ATOM 624 OG SER B 9 -6.744 -17.361 -15.256 1.00 0.00 O ATOM 0 H SER B 9 -7.829 -16.575 -17.246 1.00 0.00 H new ATOM 0 HA SER B 9 -6.606 -14.088 -16.021 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.029 -15.725 -14.214 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.761 -15.734 -14.484 1.00 0.00 H new ATOM 0 HG SER B 9 -6.211 -17.490 -16.068 1.00 0.00 H new ATOM 630 N TYR B 10 -4.437 -14.506 -17.086 1.00 0.00 N ATOM 631 CA TYR B 10 -3.109 -14.763 -17.714 1.00 0.00 C ATOM 632 C TYR B 10 -2.147 -13.619 -17.385 1.00 0.00 C ATOM 633 O TYR B 10 -1.048 -13.834 -16.913 1.00 0.00 O ATOM 634 CB TYR B 10 -3.384 -14.812 -19.218 1.00 0.00 C ATOM 635 CG TYR B 10 -3.740 -16.223 -19.619 1.00 0.00 C ATOM 636 CD1 TYR B 10 -2.753 -17.217 -19.635 1.00 0.00 C ATOM 637 CD2 TYR B 10 -5.056 -16.537 -19.978 1.00 0.00 C ATOM 638 CE1 TYR B 10 -3.083 -18.527 -20.008 1.00 0.00 C ATOM 639 CE2 TYR B 10 -5.387 -17.847 -20.352 1.00 0.00 C ATOM 640 CZ TYR B 10 -4.400 -18.842 -20.367 1.00 0.00 C ATOM 641 OH TYR B 10 -4.726 -20.131 -20.736 1.00 0.00 O ATOM 0 H TYR B 10 -4.626 -13.530 -16.857 1.00 0.00 H new ATOM 0 HA TYR B 10 -2.651 -15.684 -17.354 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -4.199 -14.134 -19.472 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -2.506 -14.476 -19.770 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -1.737 -16.974 -19.360 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.816 -15.770 -19.967 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.322 -19.293 -20.019 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -6.402 -18.089 -20.629 1.00 0.00 H new ATOM 0 HH TYR B 10 -5.681 -20.178 -20.953 1.00 0.00 H new ATOM 651 N ASP B 11 -2.556 -12.406 -17.630 1.00 0.00 N ATOM 652 CA ASP B 11 -1.672 -11.244 -17.332 1.00 0.00 C ATOM 653 C ASP B 11 -2.512 -9.972 -17.204 1.00 0.00 C ATOM 654 O ASP B 11 -2.331 -9.019 -17.936 1.00 0.00 O ATOM 655 CB ASP B 11 -0.727 -11.146 -18.530 1.00 0.00 C ATOM 656 CG ASP B 11 0.660 -11.649 -18.127 1.00 0.00 C ATOM 657 OD1 ASP B 11 1.452 -10.842 -17.670 1.00 0.00 O ATOM 658 OD2 ASP B 11 0.906 -12.834 -18.284 1.00 0.00 O ATOM 0 H ASP B 11 -3.466 -12.168 -18.025 1.00 0.00 H new ATOM 0 HA ASP B 11 -1.127 -11.364 -16.396 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.113 -11.737 -19.361 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -0.665 -10.114 -18.875 1.00 0.00 H new ATOM 663 N LEU B 12 -3.432 -9.951 -16.280 1.00 0.00 N ATOM 664 CA LEU B 12 -4.286 -8.745 -16.108 1.00 0.00 C ATOM 665 C LEU B 12 -4.755 -8.626 -14.655 1.00 0.00 C ATOM 666 O LEU B 12 -5.322 -9.546 -14.097 1.00 0.00 O ATOM 667 CB LEU B 12 -5.476 -8.971 -17.038 1.00 0.00 C ATOM 668 CG LEU B 12 -6.564 -7.942 -16.733 1.00 0.00 C ATOM 669 CD1 LEU B 12 -5.956 -6.539 -16.741 1.00 0.00 C ATOM 670 CD2 LEU B 12 -7.659 -8.031 -17.798 1.00 0.00 C ATOM 0 H LEU B 12 -3.629 -10.718 -15.637 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.751 -7.824 -16.342 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.160 -8.885 -18.078 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -5.867 -9.980 -16.906 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.993 -8.145 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.732 -5.805 -16.524 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.175 -6.477 -15.983 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.527 -6.334 -17.722 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -8.436 -7.298 -17.583 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -7.230 -7.827 -18.779 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.092 -9.031 -17.792 1.00 0.00 H new ATOM 682 N GLY B 13 -4.526 -7.498 -14.040 1.00 0.00 N ATOM 683 CA GLY B 13 -4.959 -7.317 -12.625 1.00 0.00 C ATOM 684 C GLY B 13 -4.886 -5.835 -12.258 1.00 0.00 C ATOM 685 O GLY B 13 -5.825 -5.268 -11.735 1.00 0.00 O ATOM 0 H GLY B 13 -4.057 -6.693 -14.456 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -5.976 -7.686 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -4.321 -7.900 -11.960 1.00 0.00 H new ATOM 689 N LYS B 14 -3.779 -5.201 -12.529 1.00 0.00 N ATOM 690 CA LYS B 14 -3.647 -3.754 -12.196 1.00 0.00 C ATOM 691 C LYS B 14 -4.182 -2.898 -13.346 1.00 0.00 C ATOM 692 O LYS B 14 -4.486 -3.395 -14.412 1.00 0.00 O ATOM 693 CB LYS B 14 -2.146 -3.526 -12.011 1.00 0.00 C ATOM 694 CG LYS B 14 -1.682 -4.202 -10.719 1.00 0.00 C ATOM 695 CD LYS B 14 -0.228 -3.823 -10.439 1.00 0.00 C ATOM 696 CE LYS B 14 -0.174 -2.836 -9.271 1.00 0.00 C ATOM 697 NZ LYS B 14 0.483 -3.587 -8.164 1.00 0.00 N ATOM 0 H LYS B 14 -2.960 -5.622 -12.967 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.213 -3.481 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.598 -3.930 -12.862 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -1.932 -2.458 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -2.316 -3.894 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -1.776 -5.284 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS B 14 0.352 -4.715 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS B 14 0.220 -3.377 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.394 -1.943 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.173 -2.506 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.557 -2.976 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.083 -4.428 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.435 -3.882 -8.462 1.00 0.00 H new ATOM 711 N LYS B 15 -4.301 -1.616 -13.139 1.00 0.00 N ATOM 712 CA LYS B 15 -4.817 -0.731 -14.222 1.00 0.00 C ATOM 713 C LYS B 15 -4.170 0.653 -14.126 1.00 0.00 C ATOM 714 O LYS B 15 -3.707 1.051 -13.076 1.00 0.00 O ATOM 715 CB LYS B 15 -6.322 -0.638 -13.971 1.00 0.00 C ATOM 716 CG LYS B 15 -6.574 0.007 -12.607 1.00 0.00 C ATOM 717 CD LYS B 15 -7.976 -0.357 -12.119 1.00 0.00 C ATOM 718 CE LYS B 15 -8.927 0.813 -12.380 1.00 0.00 C ATOM 719 NZ LYS B 15 -9.843 0.833 -11.206 1.00 0.00 N ATOM 0 H LYS B 15 -4.064 -1.142 -12.267 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.592 -1.118 -15.216 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.797 -0.050 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.769 -1.632 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.828 -0.334 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.474 1.090 -12.681 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.331 -1.250 -12.633 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.953 -0.590 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.382 1.752 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.479 0.673 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.526 1.610 -11.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.353 -0.071 -11.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -9.290 0.974 -10.337 1.00 0.00 H new ATOM 733 N PRO B 16 -4.161 1.341 -15.235 1.00 0.00 N ATOM 734 CA PRO B 16 -3.566 2.698 -15.285 1.00 0.00 C ATOM 735 C PRO B 16 -4.479 3.709 -14.583 1.00 0.00 C ATOM 736 O PRO B 16 -5.660 3.478 -14.409 1.00 0.00 O ATOM 737 CB PRO B 16 -3.471 2.993 -16.778 1.00 0.00 C ATOM 738 CG PRO B 16 -4.522 2.138 -17.412 1.00 0.00 C ATOM 739 CD PRO B 16 -4.698 0.924 -16.534 1.00 0.00 C ATOM 0 HA PRO B 16 -2.601 2.762 -14.782 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.646 4.049 -16.983 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -2.481 2.753 -17.165 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -5.460 2.686 -17.504 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -4.224 1.845 -18.419 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.746 0.636 -16.458 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -4.159 0.064 -16.931 1.00 0.00 H new ATOM 747 N ILE B 17 -3.940 4.827 -14.179 1.00 0.00 N ATOM 748 CA ILE B 17 -4.766 5.852 -13.490 1.00 0.00 C ATOM 749 C ILE B 17 -4.119 7.231 -13.638 1.00 0.00 C ATOM 750 O ILE B 17 -3.896 7.930 -12.669 1.00 0.00 O ATOM 751 CB ILE B 17 -4.792 5.423 -12.022 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.394 4.974 -11.589 1.00 0.00 C ATOM 753 CG2 ILE B 17 -5.776 4.264 -11.846 1.00 0.00 C ATOM 754 CD1 ILE B 17 -3.373 4.748 -10.076 1.00 0.00 C ATOM 0 H ILE B 17 -2.957 5.073 -14.298 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.770 5.924 -13.907 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.107 6.266 -11.407 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.119 4.056 -12.108 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.657 5.729 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -5.795 3.958 -10.800 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.773 4.584 -12.148 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.462 3.423 -12.464 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.377 4.428 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -3.629 5.677 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.098 3.978 -9.813 1.00 0.00 H new ATOM 766 N TYR B 18 -3.812 7.625 -14.844 1.00 0.00 N ATOM 767 CA TYR B 18 -3.174 8.958 -15.058 1.00 0.00 C ATOM 768 C TYR B 18 -4.179 10.084 -14.797 1.00 0.00 C ATOM 769 O TYR B 18 -5.201 9.887 -14.170 1.00 0.00 O ATOM 770 CB TYR B 18 -2.742 8.958 -16.525 1.00 0.00 C ATOM 771 CG TYR B 18 -1.262 9.245 -16.617 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.678 10.201 -15.774 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.473 8.557 -17.548 1.00 0.00 C ATOM 774 CE1 TYR B 18 0.695 10.467 -15.861 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.900 8.823 -17.636 1.00 0.00 C ATOM 776 CZ TYR B 18 1.484 9.778 -16.793 1.00 0.00 C ATOM 777 OH TYR B 18 2.836 10.040 -16.879 1.00 0.00 O ATOM 0 H TYR B 18 -3.975 7.082 -15.692 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.335 9.123 -14.382 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.965 7.993 -16.980 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.304 9.709 -17.080 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.287 10.733 -15.057 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.923 7.821 -18.198 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.145 11.202 -15.211 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.508 8.292 -18.353 1.00 0.00 H new ATOM 0 HH TYR B 18 3.235 9.476 -17.574 1.00 0.00 H new ATOM 787 N LYS B 19 -3.893 11.264 -15.277 1.00 0.00 N ATOM 788 CA LYS B 19 -4.825 12.408 -15.062 1.00 0.00 C ATOM 789 C LYS B 19 -5.077 12.618 -13.567 1.00 0.00 C ATOM 790 O LYS B 19 -5.981 12.045 -12.994 1.00 0.00 O ATOM 791 CB LYS B 19 -6.119 12.008 -15.773 1.00 0.00 C ATOM 792 CG LYS B 19 -6.452 13.044 -16.849 1.00 0.00 C ATOM 793 CD LYS B 19 -6.923 14.339 -16.184 1.00 0.00 C ATOM 794 CE LYS B 19 -7.986 15.007 -17.061 1.00 0.00 C ATOM 795 NZ LYS B 19 -7.994 16.435 -16.635 1.00 0.00 N ATOM 0 H LYS B 19 -3.052 11.486 -15.810 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.420 13.344 -15.448 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.009 11.022 -16.224 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.935 11.940 -15.054 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -5.574 13.238 -17.466 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -7.228 12.660 -17.511 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -7.333 14.125 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -6.079 15.014 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -7.742 14.912 -18.119 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -8.963 14.546 -16.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -8.699 16.959 -17.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -8.236 16.495 -15.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -7.053 16.849 -16.790 1.00 0.00 H new ATOM 809 N LYS B 20 -4.285 13.438 -12.933 1.00 0.00 N ATOM 810 CA LYS B 20 -4.482 13.688 -11.476 1.00 0.00 C ATOM 811 C LYS B 20 -5.680 14.615 -11.261 1.00 0.00 C ATOM 812 O LYS B 20 -6.424 14.905 -12.176 1.00 0.00 O ATOM 813 CB LYS B 20 -3.192 14.365 -11.013 1.00 0.00 C ATOM 814 CG LYS B 20 -2.539 13.522 -9.914 1.00 0.00 C ATOM 815 CD LYS B 20 -3.045 13.984 -8.546 1.00 0.00 C ATOM 816 CE LYS B 20 -1.992 13.670 -7.481 1.00 0.00 C ATOM 817 NZ LYS B 20 -2.569 14.181 -6.207 1.00 0.00 N ATOM 0 H LYS B 20 -3.510 13.946 -13.360 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.683 12.772 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -2.507 14.480 -11.853 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -3.408 15.366 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -2.773 12.468 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.454 13.618 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -3.251 15.054 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -3.983 13.483 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.795 12.599 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -1.043 14.157 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -1.904 14.002 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -2.739 15.204 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -3.468 13.695 -6.013 1.00 0.00 H new ATOM 831 N ALA B 21 -5.871 15.082 -10.059 1.00 0.00 N ATOM 832 CA ALA B 21 -7.020 15.993 -9.790 1.00 0.00 C ATOM 833 C ALA B 21 -6.748 17.375 -10.389 1.00 0.00 C ATOM 834 O ALA B 21 -5.676 17.631 -10.901 1.00 0.00 O ATOM 835 CB ALA B 21 -7.111 16.077 -8.267 1.00 0.00 C ATOM 0 H ALA B 21 -5.283 14.873 -9.252 1.00 0.00 H new ATOM 0 HA ALA B 21 -7.948 15.631 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -7.936 16.732 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -7.283 15.082 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.179 16.477 -7.868 1.00 0.00 H new ATOM 841 N PRO B 22 -7.736 18.223 -10.302 1.00 0.00 N ATOM 842 CA PRO B 22 -7.609 19.600 -10.841 1.00 0.00 C ATOM 843 C PRO B 22 -6.689 20.438 -9.949 1.00 0.00 C ATOM 844 O PRO B 22 -7.130 21.323 -9.245 1.00 0.00 O ATOM 845 CB PRO B 22 -9.039 20.131 -10.802 1.00 0.00 C ATOM 846 CG PRO B 22 -9.721 19.333 -9.737 1.00 0.00 C ATOM 847 CD PRO B 22 -9.052 17.983 -9.700 1.00 0.00 C ATOM 0 HA PRO B 22 -7.175 19.633 -11.840 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -9.058 21.196 -10.570 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -9.533 20.006 -11.766 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -9.639 19.830 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -10.784 19.230 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -8.962 17.610 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -9.619 17.241 -10.262 1.00 0.00 H new ATOM 855 N THR B 23 -5.413 20.164 -9.976 1.00 0.00 N ATOM 856 CA THR B 23 -4.466 20.945 -9.129 1.00 0.00 C ATOM 857 C THR B 23 -3.087 21.005 -9.792 1.00 0.00 C ATOM 858 O THR B 23 -2.895 20.526 -10.892 1.00 0.00 O ATOM 859 CB THR B 23 -4.392 20.178 -7.808 1.00 0.00 C ATOM 860 OG1 THR B 23 -4.074 18.818 -8.071 1.00 0.00 O ATOM 861 CG2 THR B 23 -5.741 20.260 -7.092 1.00 0.00 C ATOM 0 H THR B 23 -4.986 19.435 -10.547 1.00 0.00 H new ATOM 0 HA THR B 23 -4.794 21.975 -8.986 1.00 0.00 H new ATOM 0 HB THR B 23 -3.621 20.616 -7.174 1.00 0.00 H new ATOM 0 HG1 THR B 23 -4.024 18.324 -7.226 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.687 19.713 -6.151 1.00 0.00 H new ATOM 0 HG22 THR B 23 -5.984 21.304 -6.892 1.00 0.00 H new ATOM 0 HG23 THR B 23 -6.515 19.822 -7.722 1.00 0.00 H new ATOM 869 N ASN B 24 -2.126 21.588 -9.129 1.00 0.00 N ATOM 870 CA ASN B 24 -0.760 21.678 -9.720 1.00 0.00 C ATOM 871 C ASN B 24 0.151 20.611 -9.106 1.00 0.00 C ATOM 872 O ASN B 24 0.850 19.902 -9.802 1.00 0.00 O ATOM 873 CB ASN B 24 -0.264 23.078 -9.358 1.00 0.00 C ATOM 874 CG ASN B 24 -1.032 24.119 -10.176 1.00 0.00 C ATOM 875 OD1 ASN B 24 -2.215 23.971 -10.411 1.00 0.00 O ATOM 876 ND2 ASN B 24 -0.405 25.172 -10.621 1.00 0.00 N ATOM 0 H ASN B 24 -2.227 22.006 -8.204 1.00 0.00 H new ATOM 0 HA ASN B 24 -0.763 21.513 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.405 23.261 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN B 24 0.805 23.160 -9.557 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -0.908 25.872 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.588 25.296 -10.423 1.00 0.00 H new ATOM 883 N GLU B 25 0.148 20.494 -7.806 1.00 0.00 N ATOM 884 CA GLU B 25 1.014 19.474 -7.147 1.00 0.00 C ATOM 885 C GLU B 25 0.168 18.535 -6.289 1.00 0.00 C ATOM 886 O GLU B 25 -0.166 17.437 -6.689 1.00 0.00 O ATOM 887 CB GLU B 25 1.979 20.278 -6.274 1.00 0.00 C ATOM 888 CG GLU B 25 3.411 20.068 -6.770 1.00 0.00 C ATOM 889 CD GLU B 25 4.366 20.953 -5.968 1.00 0.00 C ATOM 890 OE1 GLU B 25 4.137 22.150 -5.924 1.00 0.00 O ATOM 891 OE2 GLU B 25 5.310 20.418 -5.411 1.00 0.00 O ATOM 0 H GLU B 25 -0.416 21.060 -7.172 1.00 0.00 H new ATOM 0 HA GLU B 25 1.541 18.851 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU B 25 1.722 21.337 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU B 25 1.893 19.964 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU B 25 3.694 19.021 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU B 25 3.479 20.310 -7.831 1.00 0.00 H new ATOM 898 N PHE B 26 -0.181 18.961 -5.112 1.00 0.00 N ATOM 899 CA PHE B 26 -1.008 18.103 -4.217 1.00 0.00 C ATOM 900 C PHE B 26 -2.150 18.922 -3.610 1.00 0.00 C ATOM 901 O PHE B 26 -3.305 18.731 -3.937 1.00 0.00 O ATOM 902 CB PHE B 26 -0.049 17.625 -3.127 1.00 0.00 C ATOM 903 CG PHE B 26 0.657 16.372 -3.590 1.00 0.00 C ATOM 904 CD1 PHE B 26 -0.006 15.139 -3.543 1.00 0.00 C ATOM 905 CD2 PHE B 26 1.973 16.443 -4.065 1.00 0.00 C ATOM 906 CE1 PHE B 26 0.646 13.976 -3.973 1.00 0.00 C ATOM 907 CE2 PHE B 26 2.626 15.280 -4.495 1.00 0.00 C ATOM 908 CZ PHE B 26 1.962 14.047 -4.448 1.00 0.00 C ATOM 0 H PHE B 26 0.071 19.871 -4.726 1.00 0.00 H new ATOM 0 HA PHE B 26 -1.464 17.268 -4.749 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.680 18.404 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -0.598 17.427 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.020 15.085 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE B 26 2.484 17.394 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.135 13.025 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE B 26 3.640 15.334 -4.862 1.00 0.00 H new ATOM 0 HZ PHE B 26 2.465 13.150 -4.778 1.00 0.00 H new ATOM 918 N TYR B 27 -1.837 19.833 -2.730 1.00 0.00 N ATOM 919 CA TYR B 27 -2.908 20.663 -2.106 1.00 0.00 C ATOM 920 C TYR B 27 -2.423 22.104 -1.924 1.00 0.00 C ATOM 921 O TYR B 27 -1.249 22.396 -2.050 1.00 0.00 O ATOM 922 CB TYR B 27 -3.176 20.011 -0.750 1.00 0.00 C ATOM 923 CG TYR B 27 -4.494 19.278 -0.799 1.00 0.00 C ATOM 924 CD1 TYR B 27 -4.545 17.961 -1.273 1.00 0.00 C ATOM 925 CD2 TYR B 27 -5.668 19.915 -0.374 1.00 0.00 C ATOM 926 CE1 TYR B 27 -5.770 17.280 -1.323 1.00 0.00 C ATOM 927 CE2 TYR B 27 -6.891 19.236 -0.422 1.00 0.00 C ATOM 928 CZ TYR B 27 -6.943 17.917 -0.896 1.00 0.00 C ATOM 929 OH TYR B 27 -8.148 17.248 -0.945 1.00 0.00 O ATOM 0 H TYR B 27 -0.889 20.039 -2.416 1.00 0.00 H new ATOM 0 HA TYR B 27 -3.807 20.707 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -2.371 19.319 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -3.198 20.769 0.033 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -3.641 17.470 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -5.629 20.931 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -5.809 16.265 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -7.795 19.728 -0.094 1.00 0.00 H new ATOM 0 HH TYR B 27 -8.860 17.833 -0.612 1.00 0.00 H new ATOM 939 N ALA B 28 -3.317 23.008 -1.632 1.00 0.00 N ATOM 940 CA ALA B 28 -2.909 24.430 -1.443 1.00 0.00 C ATOM 941 C ALA B 28 -2.401 24.651 -0.016 1.00 0.00 C ATOM 942 O ALA B 28 -2.009 25.766 0.287 1.00 0.00 O ATOM 943 CB ALA B 28 -4.181 25.241 -1.691 1.00 0.00 C ATOM 944 OXT ALA B 28 -2.412 23.701 0.749 1.00 0.00 O ATOM 0 H ALA B 28 -4.314 22.824 -1.516 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.101 24.721 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.965 26.303 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.539 25.056 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -4.947 24.944 -0.975 1.00 0.00 H new TER 950 ALA B 28