USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 452 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 38 TYR OH : rot -91:sc= -1.11 USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -2.39 F(o=-4.5!,f=-3.5) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 20 ASN : amide:sc= -0.79 K(o=-0.79,f=-7!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.588 K(o=-0.59,f=-3.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 90:sc= 0.134 USER MOD Single : A 44 ASN : amide:sc= 0.302 K(o=0.3,f=-4!) USER MOD Single : A 46 ASN :FLIP amide:sc= -1.42 F(o=-2.8,f=-1.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 47.132 16.170 10.165 1.00 0.00 N ATOM 2 CA GLU A 1 46.053 17.198 10.228 1.00 0.00 C ATOM 3 C GLU A 1 46.215 18.202 9.083 1.00 0.00 C ATOM 4 O GLU A 1 46.883 19.210 9.222 1.00 0.00 O ATOM 5 CB GLU A 1 46.242 17.885 11.581 1.00 0.00 C ATOM 6 CG GLU A 1 45.121 18.903 11.802 1.00 0.00 C ATOM 7 CD GLU A 1 44.934 19.139 13.302 1.00 0.00 C ATOM 8 OE1 GLU A 1 45.742 19.850 13.875 1.00 0.00 O ATOM 9 OE2 GLU A 1 43.987 18.603 13.852 1.00 0.00 O ATOM 0 H1 GLU A 1 47.013 15.494 10.946 1.00 0.00 H new ATOM 0 H2 GLU A 1 47.077 15.664 9.258 1.00 0.00 H new ATOM 0 H3 GLU A 1 48.059 16.634 10.247 1.00 0.00 H new ATOM 0 HA GLU A 1 45.058 16.764 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 1 46.236 17.144 12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 1 47.211 18.383 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 1 45.364 19.841 11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 1 44.193 18.539 11.362 1.00 0.00 H new ATOM 18 N PHE A 2 45.609 17.932 7.954 1.00 0.00 N ATOM 19 CA PHE A 2 45.723 18.866 6.794 1.00 0.00 C ATOM 20 C PHE A 2 44.389 18.956 6.047 1.00 0.00 C ATOM 21 O PHE A 2 43.931 20.031 5.704 1.00 0.00 O ATOM 22 CB PHE A 2 46.801 18.252 5.899 1.00 0.00 C ATOM 23 CG PHE A 2 47.299 19.291 4.923 1.00 0.00 C ATOM 24 CD1 PHE A 2 48.208 20.269 5.343 1.00 0.00 C ATOM 25 CD2 PHE A 2 46.848 19.278 3.598 1.00 0.00 C ATOM 26 CE1 PHE A 2 48.667 21.232 4.437 1.00 0.00 C ATOM 27 CE2 PHE A 2 47.307 20.241 2.692 1.00 0.00 C ATOM 28 CZ PHE A 2 48.217 21.219 3.112 1.00 0.00 C ATOM 0 H PHE A 2 45.039 17.103 7.786 1.00 0.00 H new ATOM 0 HA PHE A 2 45.977 19.880 7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 2 47.627 17.884 6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 2 46.396 17.396 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 2 48.555 20.281 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 2 46.145 18.524 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 2 49.369 21.986 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 2 46.960 20.230 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 2 48.571 21.963 2.414 1.00 0.00 H new ATOM 38 N HIS A 3 43.764 17.835 5.793 1.00 0.00 N ATOM 39 CA HIS A 3 42.456 17.844 5.070 1.00 0.00 C ATOM 40 C HIS A 3 41.797 16.464 5.157 1.00 0.00 C ATOM 41 O HIS A 3 40.675 16.332 5.610 1.00 0.00 O ATOM 42 CB HIS A 3 42.804 18.183 3.619 1.00 0.00 C ATOM 43 CG HIS A 3 41.547 18.543 2.875 1.00 0.00 C ATOM 44 ND1 HIS A 3 41.046 19.835 2.854 1.00 0.00 N ATOM 45 CD2 HIS A 3 40.680 17.792 2.122 1.00 0.00 C ATOM 46 CE1 HIS A 3 39.924 19.823 2.112 1.00 0.00 C ATOM 47 NE2 HIS A 3 39.655 18.603 1.641 1.00 0.00 N ATOM 0 H HIS A 3 44.104 16.910 6.056 1.00 0.00 H new ATOM 0 HA HIS A 3 41.753 18.560 5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 3 43.509 19.014 3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 3 43.291 17.333 3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 3 40.778 16.733 1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 3 39.315 20.694 1.921 1.00 0.00 H new ATOM 0 HE2 HIS A 3 38.868 18.325 1.055 1.00 0.00 H new ATOM 55 N GLY A 4 42.489 15.439 4.730 1.00 0.00 N ATOM 56 CA GLY A 4 41.915 14.062 4.787 1.00 0.00 C ATOM 57 C GLY A 4 42.668 13.239 5.849 1.00 0.00 C ATOM 58 O GLY A 4 43.556 13.759 6.494 1.00 0.00 O ATOM 0 H GLY A 4 43.431 15.497 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 40.854 14.108 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 41.997 13.581 3.812 1.00 0.00 H new ATOM 62 N PRO A 5 42.302 11.976 6.014 1.00 0.00 N ATOM 63 CA PRO A 5 42.984 11.128 7.022 1.00 0.00 C ATOM 64 C PRO A 5 44.469 10.972 6.681 1.00 0.00 C ATOM 65 O PRO A 5 44.893 11.246 5.574 1.00 0.00 O ATOM 66 CB PRO A 5 42.250 9.788 6.898 1.00 0.00 C ATOM 67 CG PRO A 5 41.167 9.914 5.811 1.00 0.00 C ATOM 68 CD PRO A 5 41.213 11.332 5.228 1.00 0.00 C ATOM 0 HA PRO A 5 42.952 11.542 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 5 42.953 8.995 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 5 41.798 9.516 7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.334 9.177 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 5 40.183 9.712 6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.435 11.324 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.263 11.852 5.352 1.00 0.00 H new ATOM 76 N SER A 6 45.256 10.531 7.627 1.00 0.00 N ATOM 77 CA SER A 6 46.714 10.351 7.370 1.00 0.00 C ATOM 78 C SER A 6 47.111 8.885 7.565 1.00 0.00 C ATOM 79 O SER A 6 48.186 8.589 8.053 1.00 0.00 O ATOM 80 CB SER A 6 47.411 11.239 8.399 1.00 0.00 C ATOM 81 OG SER A 6 47.108 10.772 9.706 1.00 0.00 O ATOM 0 H SER A 6 44.950 10.287 8.569 1.00 0.00 H new ATOM 0 HA SER A 6 46.989 10.619 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.489 11.226 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 47.084 12.273 8.285 1.00 0.00 H new ATOM 0 HG SER A 6 47.556 11.339 10.368 1.00 0.00 H new ATOM 87 N TRP A 7 46.255 7.966 7.185 1.00 0.00 N ATOM 88 CA TRP A 7 46.595 6.518 7.346 1.00 0.00 C ATOM 89 C TRP A 7 46.418 5.740 6.027 1.00 0.00 C ATOM 90 O TRP A 7 46.896 4.628 5.900 1.00 0.00 O ATOM 91 CB TRP A 7 45.673 5.989 8.449 1.00 0.00 C ATOM 92 CG TRP A 7 44.236 6.102 8.049 1.00 0.00 C ATOM 93 CD1 TRP A 7 43.427 7.144 8.344 1.00 0.00 C ATOM 94 CD2 TRP A 7 43.421 5.147 7.310 1.00 0.00 C ATOM 95 NE1 TRP A 7 42.167 6.893 7.829 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.114 5.674 7.182 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.687 3.890 6.740 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.106 4.977 6.516 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.675 3.185 6.068 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.386 3.728 5.957 1.00 0.00 C ATOM 0 H TRP A 7 45.341 8.155 6.773 1.00 0.00 H new ATOM 0 HA TRP A 7 47.643 6.387 7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 7 45.914 4.947 8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 7 45.843 6.549 9.369 1.00 0.00 H new ATOM 0 HD1 TRP A 7 43.717 8.028 8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 7 41.375 7.530 7.917 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.676 3.463 6.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.116 5.400 6.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.890 2.220 5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.611 3.181 5.440 1.00 0.00 H new ATOM 111 N CYS A 8 45.777 6.321 5.035 1.00 0.00 N ATOM 112 CA CYS A 8 45.627 5.613 3.723 1.00 0.00 C ATOM 113 C CYS A 8 46.731 6.073 2.742 1.00 0.00 C ATOM 114 O CYS A 8 46.815 5.601 1.623 1.00 0.00 O ATOM 115 CB CYS A 8 44.214 5.963 3.207 1.00 0.00 C ATOM 116 SG CYS A 8 44.083 7.725 2.786 1.00 0.00 S ATOM 0 H CYS A 8 45.355 7.248 5.079 1.00 0.00 H new ATOM 0 HA CYS A 8 45.737 4.533 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 8 43.985 5.359 2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 8 43.474 5.713 3.968 1.00 0.00 H new ATOM 121 N LEU A 9 47.583 6.980 3.168 1.00 0.00 N ATOM 122 CA LEU A 9 48.687 7.467 2.294 1.00 0.00 C ATOM 123 C LEU A 9 50.010 6.814 2.722 1.00 0.00 C ATOM 124 O LEU A 9 50.932 6.685 1.942 1.00 0.00 O ATOM 125 CB LEU A 9 48.731 8.974 2.548 1.00 0.00 C ATOM 126 CG LEU A 9 47.481 9.628 1.958 1.00 0.00 C ATOM 127 CD1 LEU A 9 47.193 10.940 2.691 1.00 0.00 C ATOM 128 CD2 LEU A 9 47.713 9.913 0.473 1.00 0.00 C ATOM 0 H LEU A 9 47.555 7.404 4.095 1.00 0.00 H new ATOM 0 HA LEU A 9 48.535 7.228 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 9 48.787 9.172 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 9 49.626 9.403 2.098 1.00 0.00 H new ATOM 0 HG LEU A 9 46.630 8.957 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 9 46.302 11.405 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 47.030 10.737 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 9 48.042 11.614 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 9 46.824 10.379 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 48.564 10.585 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.917 8.978 -0.049 1.00 0.00 H new ATOM 140 N THR A 10 50.097 6.411 3.969 1.00 0.00 N ATOM 141 CA THR A 10 51.343 5.762 4.502 1.00 0.00 C ATOM 142 C THR A 10 51.883 4.684 3.527 1.00 0.00 C ATOM 143 O THR A 10 51.110 4.094 2.799 1.00 0.00 O ATOM 144 CB THR A 10 50.894 5.117 5.824 1.00 0.00 C ATOM 145 OG1 THR A 10 52.003 4.500 6.462 1.00 0.00 O ATOM 146 CG2 THR A 10 49.811 4.068 5.548 1.00 0.00 C ATOM 0 H THR A 10 49.345 6.505 4.652 1.00 0.00 H new ATOM 0 HA THR A 10 52.154 6.478 4.632 1.00 0.00 H new ATOM 0 HB THR A 10 50.489 5.890 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 10 51.711 4.093 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.496 3.614 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 10 48.955 4.546 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.210 3.297 4.889 1.00 0.00 H new ATOM 154 N PRO A 11 53.188 4.443 3.536 1.00 0.00 N ATOM 155 CA PRO A 11 53.765 3.417 2.630 1.00 0.00 C ATOM 156 C PRO A 11 53.130 2.047 2.894 1.00 0.00 C ATOM 157 O PRO A 11 52.686 1.759 3.990 1.00 0.00 O ATOM 158 CB PRO A 11 55.252 3.423 3.006 1.00 0.00 C ATOM 159 CG PRO A 11 55.479 4.463 4.118 1.00 0.00 C ATOM 160 CD PRO A 11 54.148 5.159 4.423 1.00 0.00 C ATOM 0 HA PRO A 11 53.593 3.622 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.559 2.434 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.861 3.664 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 11 55.866 3.978 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.224 5.194 3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 53.874 5.065 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.188 6.225 4.198 1.00 0.00 H new ATOM 168 N ALA A 12 53.083 1.206 1.893 1.00 0.00 N ATOM 169 CA ALA A 12 52.472 -0.148 2.070 1.00 0.00 C ATOM 170 C ALA A 12 53.423 -1.067 2.839 1.00 0.00 C ATOM 171 O ALA A 12 54.504 -1.383 2.377 1.00 0.00 O ATOM 172 CB ALA A 12 52.253 -0.675 0.652 1.00 0.00 C ATOM 0 H ALA A 12 53.442 1.398 0.958 1.00 0.00 H new ATOM 0 HA ALA A 12 51.543 -0.106 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 12 51.806 -1.668 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 12 51.587 -0.002 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.210 -0.732 0.133 1.00 0.00 H new ATOM 178 N ASP A 13 53.021 -1.506 4.005 1.00 0.00 N ATOM 179 CA ASP A 13 53.892 -2.416 4.809 1.00 0.00 C ATOM 180 C ASP A 13 53.868 -3.821 4.199 1.00 0.00 C ATOM 181 O ASP A 13 52.848 -4.484 4.191 1.00 0.00 O ATOM 182 CB ASP A 13 53.280 -2.423 6.211 1.00 0.00 C ATOM 183 CG ASP A 13 53.906 -1.307 7.050 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.008 -0.201 6.546 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.273 -1.577 8.182 1.00 0.00 O ATOM 0 H ASP A 13 52.126 -1.273 4.435 1.00 0.00 H new ATOM 0 HA ASP A 13 54.932 -2.090 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.201 -2.283 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.449 -3.389 6.688 1.00 0.00 H new ATOM 190 N ARG A 14 54.981 -4.271 3.677 1.00 0.00 N ATOM 191 CA ARG A 14 55.023 -5.629 3.052 1.00 0.00 C ATOM 192 C ARG A 14 56.365 -6.317 3.338 1.00 0.00 C ATOM 193 O ARG A 14 56.935 -6.956 2.473 1.00 0.00 O ATOM 194 CB ARG A 14 54.857 -5.376 1.548 1.00 0.00 C ATOM 195 CG ARG A 14 55.976 -4.456 1.043 1.00 0.00 C ATOM 196 CD ARG A 14 55.822 -4.235 -0.464 1.00 0.00 C ATOM 197 NE ARG A 14 57.109 -3.619 -0.893 1.00 0.00 N ATOM 198 CZ ARG A 14 57.112 -2.666 -1.786 1.00 0.00 C ATOM 199 NH1 ARG A 14 56.836 -2.939 -3.032 1.00 0.00 N ATOM 200 NH2 ARG A 14 57.392 -1.441 -1.433 1.00 0.00 N ATOM 0 H ARG A 14 55.862 -3.758 3.656 1.00 0.00 H new ATOM 0 HA ARG A 14 54.248 -6.285 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 14 54.881 -6.322 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 14 53.886 -4.922 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.938 -3.500 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.949 -4.899 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 14 55.641 -5.175 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 14 54.978 -3.581 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 14 57.988 -3.942 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 14 56.618 -3.896 -3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 14 56.838 -2.195 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.609 -1.228 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.394 -0.697 -2.131 1.00 0.00 H new ATOM 214 N GLY A 15 56.868 -6.193 4.541 1.00 0.00 N ATOM 215 CA GLY A 15 58.170 -6.841 4.878 1.00 0.00 C ATOM 216 C GLY A 15 58.189 -7.243 6.356 1.00 0.00 C ATOM 217 O GLY A 15 58.330 -6.409 7.231 1.00 0.00 O ATOM 0 H GLY A 15 56.433 -5.672 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.321 -7.720 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 15 58.991 -6.156 4.669 1.00 0.00 H new ATOM 221 N LEU A 16 58.049 -8.516 6.639 1.00 0.00 N ATOM 222 CA LEU A 16 58.062 -8.980 8.061 1.00 0.00 C ATOM 223 C LEU A 16 58.191 -10.508 8.126 1.00 0.00 C ATOM 224 O LEU A 16 59.222 -11.032 8.503 1.00 0.00 O ATOM 225 CB LEU A 16 56.719 -8.521 8.643 1.00 0.00 C ATOM 226 CG LEU A 16 56.954 -7.383 9.642 1.00 0.00 C ATOM 227 CD1 LEU A 16 55.801 -6.381 9.559 1.00 0.00 C ATOM 228 CD2 LEU A 16 57.029 -7.955 11.059 1.00 0.00 C ATOM 0 H LEU A 16 57.926 -9.254 5.945 1.00 0.00 H new ATOM 0 HA LEU A 16 58.906 -8.573 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.060 -8.185 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 16 56.221 -9.355 9.137 1.00 0.00 H new ATOM 0 HG LEU A 16 57.890 -6.879 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.970 -5.572 10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.747 -5.972 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.864 -6.884 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.196 -7.146 11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.093 -8.460 11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.851 -8.668 11.121 1.00 0.00 H new ATOM 240 N CYS A 17 57.153 -11.224 7.769 1.00 0.00 N ATOM 241 CA CYS A 17 57.214 -12.720 7.819 1.00 0.00 C ATOM 242 C CYS A 17 57.337 -13.314 6.408 1.00 0.00 C ATOM 243 O CYS A 17 57.026 -14.468 6.187 1.00 0.00 O ATOM 244 CB CYS A 17 55.896 -13.147 8.461 1.00 0.00 C ATOM 245 SG CYS A 17 55.997 -12.902 10.252 1.00 0.00 S ATOM 0 H CYS A 17 56.266 -10.838 7.445 1.00 0.00 H new ATOM 0 HA CYS A 17 58.081 -13.070 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 17 55.072 -12.565 8.049 1.00 0.00 H new ATOM 0 HB3 CYS A 17 55.691 -14.194 8.236 1.00 0.00 H new ATOM 250 N ARG A 18 57.795 -12.538 5.455 1.00 0.00 N ATOM 251 CA ARG A 18 57.948 -13.049 4.051 1.00 0.00 C ATOM 252 C ARG A 18 56.638 -13.667 3.540 1.00 0.00 C ATOM 253 O ARG A 18 56.634 -14.748 2.982 1.00 0.00 O ATOM 254 CB ARG A 18 59.048 -14.115 4.119 1.00 0.00 C ATOM 255 CG ARG A 18 60.424 -13.443 4.089 1.00 0.00 C ATOM 256 CD ARG A 18 60.977 -13.467 2.661 1.00 0.00 C ATOM 257 NE ARG A 18 60.600 -12.149 2.080 1.00 0.00 N ATOM 258 CZ ARG A 18 60.089 -12.085 0.881 1.00 0.00 C ATOM 259 NH1 ARG A 18 60.769 -12.522 -0.144 1.00 0.00 N ATOM 260 NH2 ARG A 18 58.897 -11.583 0.707 1.00 0.00 N ATOM 0 H ARG A 18 58.072 -11.565 5.588 1.00 0.00 H new ATOM 0 HA ARG A 18 58.201 -12.243 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.941 -14.704 5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.951 -14.804 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 60.345 -12.415 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 18 61.107 -13.960 4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 18 62.058 -13.605 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 18 60.550 -14.289 2.086 1.00 0.00 H new ATOM 0 HE ARG A 18 60.741 -11.295 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.701 -12.914 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.369 -12.471 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 18 58.366 -11.241 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 58.497 -11.532 -0.230 1.00 0.00 H new ATOM 274 N ALA A 19 55.533 -12.988 3.724 1.00 0.00 N ATOM 275 CA ALA A 19 54.227 -13.536 3.243 1.00 0.00 C ATOM 276 C ALA A 19 53.857 -12.913 1.892 1.00 0.00 C ATOM 277 O ALA A 19 53.768 -11.708 1.757 1.00 0.00 O ATOM 278 CB ALA A 19 53.209 -13.140 4.312 1.00 0.00 C ATOM 0 H ALA A 19 55.479 -12.080 4.185 1.00 0.00 H new ATOM 0 HA ALA A 19 54.263 -14.616 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.223 -13.508 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.498 -13.575 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 19 53.179 -12.054 4.402 1.00 0.00 H new ATOM 284 N ASN A 20 53.641 -13.732 0.893 1.00 0.00 N ATOM 285 CA ASN A 20 53.276 -13.200 -0.458 1.00 0.00 C ATOM 286 C ASN A 20 51.755 -13.020 -0.570 1.00 0.00 C ATOM 287 O ASN A 20 51.097 -13.694 -1.340 1.00 0.00 O ATOM 288 CB ASN A 20 53.776 -14.251 -1.458 1.00 0.00 C ATOM 289 CG ASN A 20 53.105 -15.605 -1.188 1.00 0.00 C ATOM 290 OD1 ASN A 20 52.473 -15.793 -0.166 1.00 0.00 O ATOM 291 ND2 ASN A 20 53.219 -16.563 -2.067 1.00 0.00 N ATOM 0 H ASN A 20 53.702 -14.748 0.954 1.00 0.00 H new ATOM 0 HA ASN A 20 53.721 -12.223 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.559 -13.927 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 20 54.858 -14.352 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 20 52.779 -17.467 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 20 53.749 -16.408 -2.925 1.00 0.00 H new ATOM 298 N GLU A 21 51.200 -12.112 0.191 1.00 0.00 N ATOM 299 CA GLU A 21 49.724 -11.876 0.135 1.00 0.00 C ATOM 300 C GLU A 21 49.371 -11.056 -1.112 1.00 0.00 C ATOM 301 O GLU A 21 50.132 -11.002 -2.061 1.00 0.00 O ATOM 302 CB GLU A 21 49.395 -11.095 1.412 1.00 0.00 C ATOM 303 CG GLU A 21 49.767 -11.932 2.640 1.00 0.00 C ATOM 304 CD GLU A 21 48.554 -12.749 3.088 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.653 -12.166 3.669 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.548 -13.944 2.844 1.00 0.00 O ATOM 0 H GLU A 21 51.706 -11.522 0.851 1.00 0.00 H new ATOM 0 HA GLU A 21 49.156 -12.805 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.941 -10.152 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.333 -10.849 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.598 -12.596 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.100 -11.282 3.449 1.00 0.00 H new ATOM 313 N ASN A 22 48.223 -10.427 -1.122 1.00 0.00 N ATOM 314 CA ASN A 22 47.816 -9.614 -2.309 1.00 0.00 C ATOM 315 C ASN A 22 46.861 -8.493 -1.880 1.00 0.00 C ATOM 316 O ASN A 22 45.698 -8.483 -2.242 1.00 0.00 O ATOM 317 CB ASN A 22 47.104 -10.606 -3.233 1.00 0.00 C ATOM 318 CG ASN A 22 47.276 -10.165 -4.687 1.00 0.00 C ATOM 319 OD1 ASN A 22 46.477 -9.406 -5.202 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.289 -10.612 -5.377 1.00 0.00 N ATOM 0 H ASN A 22 47.548 -10.441 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 22 48.664 -9.135 -2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.514 -11.606 -3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.045 -10.658 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.411 -10.325 -6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 22 48.959 -11.248 -4.945 1.00 0.00 H new ATOM 327 N ARG A 23 47.346 -7.551 -1.112 1.00 0.00 N ATOM 328 CA ARG A 23 46.472 -6.427 -0.651 1.00 0.00 C ATOM 329 C ARG A 23 46.533 -5.256 -1.640 1.00 0.00 C ATOM 330 O ARG A 23 47.512 -5.073 -2.339 1.00 0.00 O ATOM 331 CB ARG A 23 47.039 -6.017 0.708 1.00 0.00 C ATOM 332 CG ARG A 23 46.856 -7.162 1.707 1.00 0.00 C ATOM 333 CD ARG A 23 45.386 -7.250 2.125 1.00 0.00 C ATOM 334 NE ARG A 23 45.355 -8.278 3.202 1.00 0.00 N ATOM 335 CZ ARG A 23 44.310 -9.047 3.343 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.188 -8.548 3.783 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.387 -10.315 3.045 1.00 0.00 N ATOM 0 H ARG A 23 48.311 -7.511 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 23 45.425 -6.722 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.096 -5.770 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.533 -5.121 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.174 -8.103 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.484 -6.998 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.020 -6.289 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.753 -7.538 1.286 1.00 0.00 H new ATOM 0 HE ARG A 23 46.152 -8.381 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 23 43.128 -7.557 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.371 -9.149 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 23 45.264 -10.706 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 23 43.570 -10.915 3.155 1.00 0.00 H new ATOM 351 N PHE A 24 45.489 -4.465 -1.701 1.00 0.00 N ATOM 352 CA PHE A 24 45.472 -3.301 -2.641 1.00 0.00 C ATOM 353 C PHE A 24 46.023 -2.045 -1.955 1.00 0.00 C ATOM 354 O PHE A 24 45.394 -1.474 -1.083 1.00 0.00 O ATOM 355 CB PHE A 24 44.000 -3.118 -3.015 1.00 0.00 C ATOM 356 CG PHE A 24 43.711 -3.862 -4.298 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.495 -5.245 -4.270 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.661 -3.171 -5.515 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.229 -5.936 -5.459 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.394 -3.862 -6.703 1.00 0.00 C ATOM 361 CZ PHE A 24 43.177 -5.245 -6.674 1.00 0.00 C ATOM 0 H PHE A 24 44.646 -4.576 -1.138 1.00 0.00 H new ATOM 0 HA PHE A 24 46.096 -3.471 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.361 -3.490 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.774 -2.059 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.533 -5.779 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.829 -2.104 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.064 -7.003 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.355 -3.329 -7.641 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.969 -5.778 -7.590 1.00 0.00 H new ATOM 371 N TYR A 25 47.197 -1.618 -2.346 1.00 0.00 N ATOM 372 CA TYR A 25 47.813 -0.402 -1.733 1.00 0.00 C ATOM 373 C TYR A 25 47.426 0.852 -2.537 1.00 0.00 C ATOM 374 O TYR A 25 47.543 0.882 -3.747 1.00 0.00 O ATOM 375 CB TYR A 25 49.328 -0.693 -1.788 1.00 0.00 C ATOM 376 CG TYR A 25 50.160 0.568 -1.652 1.00 0.00 C ATOM 377 CD1 TYR A 25 49.841 1.527 -0.684 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.255 0.767 -2.500 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.618 2.685 -0.566 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.032 1.923 -2.382 1.00 0.00 C ATOM 381 CZ TYR A 25 51.714 2.884 -1.415 1.00 0.00 C ATOM 382 OH TYR A 25 52.481 4.025 -1.299 1.00 0.00 O ATOM 0 H TYR A 25 47.760 -2.064 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 25 47.479 -0.205 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.592 -1.388 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.568 -1.184 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 25 48.996 1.374 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.500 0.026 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.372 3.426 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.877 2.075 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 25 53.201 4.004 -1.963 1.00 0.00 H new ATOM 392 N TYR A 26 46.980 1.885 -1.866 1.00 0.00 N ATOM 393 CA TYR A 26 46.599 3.141 -2.582 1.00 0.00 C ATOM 394 C TYR A 26 47.862 3.926 -2.952 1.00 0.00 C ATOM 395 O TYR A 26 48.543 4.459 -2.095 1.00 0.00 O ATOM 396 CB TYR A 26 45.744 3.931 -1.584 1.00 0.00 C ATOM 397 CG TYR A 26 45.309 5.242 -2.205 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.180 5.288 -3.030 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.041 6.409 -1.955 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.783 6.501 -3.606 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.644 7.622 -2.530 1.00 0.00 C ATOM 402 CZ TYR A 26 44.515 7.668 -3.356 1.00 0.00 C ATOM 403 OH TYR A 26 44.124 8.864 -3.923 1.00 0.00 O ATOM 0 H TYR A 26 46.863 1.912 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 26 46.056 2.946 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 26 44.870 3.346 -1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.313 4.120 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.615 4.388 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 26 46.913 6.373 -1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.912 6.536 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.209 8.522 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 26 44.740 9.574 -3.646 1.00 0.00 H new ATOM 413 N ASN A 27 48.176 3.998 -4.220 1.00 0.00 N ATOM 414 CA ASN A 27 49.396 4.749 -4.650 1.00 0.00 C ATOM 415 C ASN A 27 49.161 6.254 -4.510 1.00 0.00 C ATOM 416 O ASN A 27 48.311 6.823 -5.170 1.00 0.00 O ATOM 417 CB ASN A 27 49.608 4.370 -6.118 1.00 0.00 C ATOM 418 CG ASN A 27 51.107 4.324 -6.418 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.764 5.346 -6.446 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.679 3.174 -6.647 1.00 0.00 N ATOM 0 H ASN A 27 47.642 3.570 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 27 50.267 4.503 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.155 3.400 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.118 5.096 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.678 3.133 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.127 2.316 -6.623 1.00 0.00 H new ATOM 427 N SER A 28 49.909 6.901 -3.652 1.00 0.00 N ATOM 428 CA SER A 28 49.736 8.373 -3.457 1.00 0.00 C ATOM 429 C SER A 28 50.388 9.166 -4.600 1.00 0.00 C ATOM 430 O SER A 28 50.318 10.381 -4.629 1.00 0.00 O ATOM 431 CB SER A 28 50.431 8.683 -2.129 1.00 0.00 C ATOM 432 OG SER A 28 51.839 8.674 -2.324 1.00 0.00 O ATOM 0 H SER A 28 50.634 6.472 -3.077 1.00 0.00 H new ATOM 0 HA SER A 28 48.683 8.655 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.110 9.655 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.151 7.945 -1.378 1.00 0.00 H new ATOM 0 HG SER A 28 52.288 8.874 -1.476 1.00 0.00 H new ATOM 438 N VAL A 29 51.014 8.500 -5.545 1.00 0.00 N ATOM 439 CA VAL A 29 51.656 9.230 -6.679 1.00 0.00 C ATOM 440 C VAL A 29 50.686 9.279 -7.858 1.00 0.00 C ATOM 441 O VAL A 29 50.343 10.340 -8.347 1.00 0.00 O ATOM 442 CB VAL A 29 52.906 8.422 -7.036 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.665 9.130 -8.161 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.816 8.308 -5.808 1.00 0.00 C ATOM 0 H VAL A 29 51.106 7.485 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 29 51.915 10.257 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 29 52.609 7.425 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.556 8.556 -8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.023 9.212 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.958 10.127 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.705 7.732 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.112 9.305 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.279 7.806 -5.003 1.00 0.00 H new ATOM 454 N ILE A 30 50.229 8.136 -8.309 1.00 0.00 N ATOM 455 CA ILE A 30 49.266 8.116 -9.449 1.00 0.00 C ATOM 456 C ILE A 30 47.826 8.168 -8.918 1.00 0.00 C ATOM 457 O ILE A 30 46.988 8.865 -9.459 1.00 0.00 O ATOM 458 CB ILE A 30 49.545 6.821 -10.238 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.378 5.575 -9.350 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.975 6.865 -10.781 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.529 4.316 -10.209 1.00 0.00 C ATOM 0 H ILE A 30 50.481 7.220 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 30 49.388 8.981 -10.101 1.00 0.00 H new ATOM 0 HB ILE A 30 48.827 6.755 -11.055 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.124 5.578 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.400 5.586 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.180 5.952 -11.340 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.088 7.727 -11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.677 6.947 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.411 3.432 -9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.766 4.313 -10.988 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.517 4.306 -10.669 1.00 0.00 H new ATOM 473 N GLY A 31 47.535 7.445 -7.865 1.00 0.00 N ATOM 474 CA GLY A 31 46.154 7.455 -7.294 1.00 0.00 C ATOM 475 C GLY A 31 45.571 6.053 -7.411 1.00 0.00 C ATOM 476 O GLY A 31 44.869 5.576 -6.541 1.00 0.00 O ATOM 0 H GLY A 31 48.199 6.846 -7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.178 7.769 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.529 8.171 -7.828 1.00 0.00 H new ATOM 480 N LYS A 32 45.879 5.392 -8.490 1.00 0.00 N ATOM 481 CA LYS A 32 45.379 4.002 -8.711 1.00 0.00 C ATOM 482 C LYS A 32 45.848 3.090 -7.560 1.00 0.00 C ATOM 483 O LYS A 32 46.971 3.185 -7.102 1.00 0.00 O ATOM 484 CB LYS A 32 46.008 3.606 -10.068 1.00 0.00 C ATOM 485 CG LYS A 32 46.075 2.085 -10.247 1.00 0.00 C ATOM 486 CD LYS A 32 44.660 1.512 -10.344 1.00 0.00 C ATOM 487 CE LYS A 32 44.728 -0.004 -10.558 1.00 0.00 C ATOM 488 NZ LYS A 32 44.405 -0.206 -11.997 1.00 0.00 N ATOM 0 H LYS A 32 46.464 5.759 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 32 44.293 3.916 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 32 45.424 4.041 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 32 47.012 4.024 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.639 1.840 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.603 1.634 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 32 44.104 1.735 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 32 44.123 1.981 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.718 -0.392 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 32 44.017 -0.525 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.432 -1.222 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 43.455 0.167 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 45.103 0.295 -12.583 1.00 0.00 H new ATOM 502 N CYS A 33 44.998 2.200 -7.109 1.00 0.00 N ATOM 503 CA CYS A 33 45.393 1.269 -6.010 1.00 0.00 C ATOM 504 C CYS A 33 46.174 0.090 -6.600 1.00 0.00 C ATOM 505 O CYS A 33 45.614 -0.774 -7.249 1.00 0.00 O ATOM 506 CB CYS A 33 44.076 0.796 -5.393 1.00 0.00 C ATOM 507 SG CYS A 33 44.312 0.507 -3.621 1.00 0.00 S ATOM 0 H CYS A 33 44.047 2.079 -7.456 1.00 0.00 H new ATOM 0 HA CYS A 33 46.033 1.742 -5.265 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.299 1.544 -5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.741 -0.120 -5.881 1.00 0.00 H new ATOM 512 N ARG A 34 47.465 0.063 -6.393 1.00 0.00 N ATOM 513 CA ARG A 34 48.300 -1.041 -6.953 1.00 0.00 C ATOM 514 C ARG A 34 48.401 -2.214 -5.950 1.00 0.00 C ATOM 515 O ARG A 34 48.871 -2.015 -4.847 1.00 0.00 O ATOM 516 CB ARG A 34 49.675 -0.404 -7.166 1.00 0.00 C ATOM 517 CG ARG A 34 49.681 0.394 -8.478 1.00 0.00 C ATOM 518 CD ARG A 34 50.446 -0.383 -9.553 1.00 0.00 C ATOM 519 NE ARG A 34 51.822 0.188 -9.532 1.00 0.00 N ATOM 520 CZ ARG A 34 52.855 -0.597 -9.670 1.00 0.00 C ATOM 521 NH1 ARG A 34 53.107 -1.146 -10.826 1.00 0.00 N ATOM 522 NH2 ARG A 34 53.637 -0.832 -8.652 1.00 0.00 N ATOM 0 H ARG A 34 47.979 0.762 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 34 47.880 -1.453 -7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.915 0.252 -6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.443 -1.177 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.658 0.578 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.145 1.368 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.458 -1.451 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 34 49.983 -0.262 -10.532 1.00 0.00 H new ATOM 0 HE ARG A 34 51.956 1.192 -9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.497 -0.962 -11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 34 53.915 -1.760 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 34 53.441 -0.402 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 34 54.444 -1.446 -8.760 1.00 0.00 H new ATOM 536 N PRO A 35 47.971 -3.411 -6.341 1.00 0.00 N ATOM 537 CA PRO A 35 48.055 -4.568 -5.416 1.00 0.00 C ATOM 538 C PRO A 35 49.517 -4.907 -5.108 1.00 0.00 C ATOM 539 O PRO A 35 50.372 -4.843 -5.971 1.00 0.00 O ATOM 540 CB PRO A 35 47.386 -5.695 -6.212 1.00 0.00 C ATOM 541 CG PRO A 35 46.940 -5.142 -7.577 1.00 0.00 C ATOM 542 CD PRO A 35 47.386 -3.681 -7.685 1.00 0.00 C ATOM 0 HA PRO A 35 47.582 -4.387 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.081 -6.524 -6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.528 -6.086 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.376 -5.731 -8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.857 -5.215 -7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.118 -3.540 -8.480 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.548 -3.018 -7.902 1.00 0.00 H new ATOM 550 N PHE A 36 49.804 -5.274 -3.885 1.00 0.00 N ATOM 551 CA PHE A 36 51.206 -5.626 -3.513 1.00 0.00 C ATOM 552 C PHE A 36 51.209 -6.876 -2.620 1.00 0.00 C ATOM 553 O PHE A 36 50.176 -7.298 -2.133 1.00 0.00 O ATOM 554 CB PHE A 36 51.754 -4.385 -2.779 1.00 0.00 C ATOM 555 CG PHE A 36 51.095 -4.221 -1.426 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.763 -3.805 -1.339 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.823 -4.485 -0.259 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.157 -3.653 -0.087 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.218 -4.333 0.993 1.00 0.00 C ATOM 560 CZ PHE A 36 49.885 -3.917 1.079 1.00 0.00 C ATOM 0 H PHE A 36 49.125 -5.345 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 36 51.827 -5.868 -4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.833 -4.479 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.580 -3.494 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.202 -3.601 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.852 -4.806 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.128 -3.332 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.780 -4.537 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.417 -3.800 2.045 1.00 0.00 H new ATOM 570 N LYS A 37 52.356 -7.467 -2.407 1.00 0.00 N ATOM 571 CA LYS A 37 52.421 -8.689 -1.551 1.00 0.00 C ATOM 572 C LYS A 37 52.512 -8.301 -0.076 1.00 0.00 C ATOM 573 O LYS A 37 53.588 -8.179 0.481 1.00 0.00 O ATOM 574 CB LYS A 37 53.681 -9.423 -2.002 1.00 0.00 C ATOM 575 CG LYS A 37 53.328 -10.361 -3.156 1.00 0.00 C ATOM 576 CD LYS A 37 54.546 -10.535 -4.066 1.00 0.00 C ATOM 577 CE LYS A 37 54.464 -9.540 -5.227 1.00 0.00 C ATOM 578 NZ LYS A 37 55.801 -9.603 -5.880 1.00 0.00 N ATOM 0 H LYS A 37 53.250 -7.157 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 37 51.533 -9.313 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.440 -8.707 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.103 -9.990 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.010 -11.329 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.491 -9.956 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.463 -10.373 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.584 -11.555 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.671 -9.810 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 37 54.245 -8.533 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.824 -8.948 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 56.535 -9.334 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.978 -10.571 -6.215 1.00 0.00 H new ATOM 592 N TYR A 38 51.385 -8.111 0.556 1.00 0.00 N ATOM 593 CA TYR A 38 51.380 -7.731 2.003 1.00 0.00 C ATOM 594 C TYR A 38 51.987 -8.862 2.845 1.00 0.00 C ATOM 595 O TYR A 38 51.911 -10.022 2.489 1.00 0.00 O ATOM 596 CB TYR A 38 49.898 -7.517 2.350 1.00 0.00 C ATOM 597 CG TYR A 38 49.738 -7.230 3.828 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.241 -6.042 4.372 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.084 -8.155 4.649 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.089 -5.781 5.739 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.932 -7.894 6.016 1.00 0.00 C ATOM 602 CZ TYR A 38 49.435 -6.707 6.562 1.00 0.00 C ATOM 603 OH TYR A 38 49.284 -6.450 7.909 1.00 0.00 O ATOM 0 H TYR A 38 50.462 -8.203 0.132 1.00 0.00 H new ATOM 0 HA TYR A 38 51.972 -6.839 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.497 -6.688 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.323 -8.403 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.746 -5.328 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.696 -9.071 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.476 -4.865 6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.427 -8.608 6.649 1.00 0.00 H new ATOM 0 HH TYR A 38 50.047 -6.819 8.400 1.00 0.00 H new ATOM 613 N SER A 39 52.583 -8.524 3.961 1.00 0.00 N ATOM 614 CA SER A 39 53.191 -9.570 4.838 1.00 0.00 C ATOM 615 C SER A 39 52.094 -10.292 5.626 1.00 0.00 C ATOM 616 O SER A 39 50.920 -10.134 5.352 1.00 0.00 O ATOM 617 CB SER A 39 54.118 -8.808 5.784 1.00 0.00 C ATOM 618 OG SER A 39 55.104 -9.697 6.287 1.00 0.00 O ATOM 0 H SER A 39 52.675 -7.567 4.303 1.00 0.00 H new ATOM 0 HA SER A 39 53.729 -10.328 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.592 -7.979 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.545 -8.378 6.606 1.00 0.00 H new ATOM 0 HG SER A 39 55.882 -9.693 5.692 1.00 0.00 H new ATOM 624 N GLY A 40 52.469 -11.080 6.602 1.00 0.00 N ATOM 625 CA GLY A 40 51.450 -11.813 7.409 1.00 0.00 C ATOM 626 C GLY A 40 51.718 -11.596 8.900 1.00 0.00 C ATOM 627 O GLY A 40 51.384 -12.427 9.723 1.00 0.00 O ATOM 0 H GLY A 40 53.438 -11.247 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.450 -11.462 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 40 51.484 -12.877 7.175 1.00 0.00 H new ATOM 631 N CYS A 41 52.313 -10.483 9.252 1.00 0.00 N ATOM 632 CA CYS A 41 52.605 -10.201 10.690 1.00 0.00 C ATOM 633 C CYS A 41 52.497 -8.696 10.961 1.00 0.00 C ATOM 634 O CYS A 41 53.219 -7.904 10.387 1.00 0.00 O ATOM 635 CB CYS A 41 54.043 -10.684 10.905 1.00 0.00 C ATOM 636 SG CYS A 41 54.099 -12.492 10.805 1.00 0.00 S ATOM 0 H CYS A 41 52.610 -9.755 8.602 1.00 0.00 H new ATOM 0 HA CYS A 41 51.905 -10.698 11.361 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.700 -10.248 10.153 1.00 0.00 H new ATOM 0 HB3 CYS A 41 54.407 -10.352 11.877 1.00 0.00 H new ATOM 641 N GLY A 42 51.597 -8.299 11.826 1.00 0.00 N ATOM 642 CA GLY A 42 51.435 -6.845 12.135 1.00 0.00 C ATOM 643 C GLY A 42 51.036 -6.084 10.866 1.00 0.00 C ATOM 644 O GLY A 42 49.954 -6.266 10.341 1.00 0.00 O ATOM 0 H GLY A 42 50.966 -8.921 12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.675 -6.710 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 52.367 -6.443 12.533 1.00 0.00 H new ATOM 648 N GLY A 43 51.903 -5.235 10.373 1.00 0.00 N ATOM 649 CA GLY A 43 51.579 -4.458 9.139 1.00 0.00 C ATOM 650 C GLY A 43 50.941 -3.121 9.526 1.00 0.00 C ATOM 651 O GLY A 43 50.682 -2.863 10.686 1.00 0.00 O ATOM 0 H GLY A 43 52.822 -5.047 10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.485 -4.285 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 43 50.898 -5.028 8.507 1.00 0.00 H new ATOM 655 N ASN A 44 50.689 -2.273 8.562 1.00 0.00 N ATOM 656 CA ASN A 44 50.069 -0.948 8.866 1.00 0.00 C ATOM 657 C ASN A 44 48.543 -1.052 8.828 1.00 0.00 C ATOM 658 O ASN A 44 47.984 -2.131 8.880 1.00 0.00 O ATOM 659 CB ASN A 44 50.569 -0.014 7.764 1.00 0.00 C ATOM 660 CG ASN A 44 50.813 1.377 8.350 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.902 2.177 8.447 1.00 0.00 O ATOM 662 ND2 ASN A 44 52.012 1.703 8.747 1.00 0.00 N ATOM 0 H ASN A 44 50.886 -2.441 7.576 1.00 0.00 H new ATOM 0 HA ASN A 44 50.336 -0.588 9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.490 -0.405 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.836 0.042 6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 44 52.185 2.629 9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.776 1.032 8.666 1.00 0.00 H new ATOM 669 N GLU A 45 47.867 0.067 8.740 1.00 0.00 N ATOM 670 CA GLU A 45 46.374 0.044 8.700 1.00 0.00 C ATOM 671 C GLU A 45 45.866 0.423 7.305 1.00 0.00 C ATOM 672 O GLU A 45 44.744 0.867 7.148 1.00 0.00 O ATOM 673 CB GLU A 45 45.935 1.089 9.725 1.00 0.00 C ATOM 674 CG GLU A 45 44.574 0.697 10.301 1.00 0.00 C ATOM 675 CD GLU A 45 44.739 -0.513 11.221 1.00 0.00 C ATOM 676 OE1 GLU A 45 45.712 -0.544 11.956 1.00 0.00 O ATOM 677 OE2 GLU A 45 43.889 -1.387 11.177 1.00 0.00 O ATOM 0 H GLU A 45 48.286 0.996 8.694 1.00 0.00 H new ATOM 0 HA GLU A 45 45.976 -0.946 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.673 1.163 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.874 2.071 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.147 1.533 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 45 43.880 0.462 9.494 1.00 0.00 H new ATOM 684 N ASN A 46 46.678 0.248 6.293 1.00 0.00 N ATOM 685 CA ASN A 46 46.240 0.594 4.908 1.00 0.00 C ATOM 686 C ASN A 46 46.181 -0.678 4.053 1.00 0.00 C ATOM 687 O ASN A 46 46.415 -0.656 2.860 1.00 0.00 O ATOM 688 CB ASN A 46 47.306 1.571 4.395 1.00 0.00 C ATOM 689 CG ASN A 46 46.982 1.998 2.962 1.00 0.00 C ATOM 690 OD1 ASN A 46 45.814 2.508 2.693 1.00 0.00 O flip ATOM 691 ND2 ASN A 46 47.806 1.866 2.078 1.00 0.00 N flip ATOM 0 H ASN A 46 47.626 -0.120 6.367 1.00 0.00 H new ATOM 0 HA ASN A 46 45.245 1.038 4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.350 2.447 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.288 1.100 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 46 48.721 1.467 2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.583 2.155 1.125 1.00 0.00 H new ATOM 698 N ASN A 47 45.863 -1.790 4.667 1.00 0.00 N ATOM 699 CA ASN A 47 45.776 -3.076 3.911 1.00 0.00 C ATOM 700 C ASN A 47 44.351 -3.286 3.386 1.00 0.00 C ATOM 701 O ASN A 47 43.510 -3.848 4.063 1.00 0.00 O ATOM 702 CB ASN A 47 46.131 -4.163 4.931 1.00 0.00 C ATOM 703 CG ASN A 47 47.545 -3.928 5.470 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.508 -3.635 4.641 1.00 0.00 O flip ATOM 705 ND2 ASN A 47 47.774 -4.013 6.660 1.00 0.00 N flip ATOM 0 H ASN A 47 45.659 -1.862 5.664 1.00 0.00 H new ATOM 0 HA ASN A 47 46.442 -3.091 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.413 -4.153 5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.069 -5.146 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 47 47.021 -4.242 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.719 -3.855 7.010 1.00 0.00 H new ATOM 712 N PHE A 48 44.075 -2.839 2.185 1.00 0.00 N ATOM 713 CA PHE A 48 42.706 -3.012 1.612 1.00 0.00 C ATOM 714 C PHE A 48 42.575 -4.389 0.957 1.00 0.00 C ATOM 715 O PHE A 48 43.553 -4.987 0.549 1.00 0.00 O ATOM 716 CB PHE A 48 42.565 -1.905 0.564 1.00 0.00 C ATOM 717 CG PHE A 48 42.448 -0.556 1.243 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.540 -0.368 2.296 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.246 0.510 0.814 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.434 0.884 2.915 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.140 1.760 1.433 1.00 0.00 C ATOM 722 CZ PHE A 48 42.235 1.947 2.483 1.00 0.00 C ATOM 0 H PHE A 48 44.740 -2.361 1.577 1.00 0.00 H new ATOM 0 HA PHE A 48 41.932 -2.948 2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.428 -1.912 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.685 -2.088 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.923 -1.189 2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 48 43.945 0.368 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.735 1.029 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.757 2.581 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.154 2.912 2.961 1.00 0.00 H new ATOM 732 N THR A 49 41.372 -4.890 0.853 1.00 0.00 N ATOM 733 CA THR A 49 41.160 -6.229 0.224 1.00 0.00 C ATOM 734 C THR A 49 40.587 -6.073 -1.189 1.00 0.00 C ATOM 735 O THR A 49 40.723 -6.951 -2.020 1.00 0.00 O ATOM 736 CB THR A 49 40.154 -6.937 1.133 1.00 0.00 C ATOM 737 OG1 THR A 49 39.027 -6.095 1.335 1.00 0.00 O ATOM 738 CG2 THR A 49 40.809 -7.249 2.480 1.00 0.00 C ATOM 0 H THR A 49 40.523 -4.428 1.178 1.00 0.00 H new ATOM 0 HA THR A 49 42.090 -6.788 0.126 1.00 0.00 H new ATOM 0 HB THR A 49 39.834 -7.868 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.380 -6.548 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 49 40.090 -7.753 3.126 1.00 0.00 H new ATOM 0 HG22 THR A 49 41.673 -7.895 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 49 41.131 -6.321 2.951 1.00 0.00 H new ATOM 746 N SER A 50 39.946 -4.963 -1.466 1.00 0.00 N ATOM 747 CA SER A 50 39.362 -4.749 -2.823 1.00 0.00 C ATOM 748 C SER A 50 39.637 -3.321 -3.299 1.00 0.00 C ATOM 749 O SER A 50 40.193 -2.514 -2.576 1.00 0.00 O ATOM 750 CB SER A 50 37.861 -4.976 -2.650 1.00 0.00 C ATOM 751 OG SER A 50 37.615 -6.362 -2.450 1.00 0.00 O ATOM 0 H SER A 50 39.803 -4.196 -0.808 1.00 0.00 H new ATOM 0 HA SER A 50 39.792 -5.420 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.491 -4.403 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.324 -4.623 -3.531 1.00 0.00 H new ATOM 0 HG SER A 50 36.653 -6.511 -2.337 1.00 0.00 H new ATOM 757 N LYS A 51 39.249 -3.004 -4.509 1.00 0.00 N ATOM 758 CA LYS A 51 39.483 -1.629 -5.039 1.00 0.00 C ATOM 759 C LYS A 51 38.343 -0.702 -4.616 1.00 0.00 C ATOM 760 O LYS A 51 38.553 0.462 -4.329 1.00 0.00 O ATOM 761 CB LYS A 51 39.509 -1.785 -6.559 1.00 0.00 C ATOM 762 CG LYS A 51 40.351 -0.664 -7.170 1.00 0.00 C ATOM 763 CD LYS A 51 39.827 -0.334 -8.568 1.00 0.00 C ATOM 764 CE LYS A 51 40.594 -1.154 -9.606 1.00 0.00 C ATOM 765 NZ LYS A 51 39.589 -1.483 -10.655 1.00 0.00 N ATOM 0 H LYS A 51 38.779 -3.641 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 51 40.408 -1.193 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 51 39.925 -2.756 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.495 -1.751 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.310 0.222 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.396 -0.969 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 51 38.761 -0.554 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.945 0.731 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.427 -0.586 -10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.014 -2.058 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 40.040 -2.046 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 38.812 -2.029 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 39.212 -0.604 -11.063 1.00 0.00 H new ATOM 779 N GLN A 52 37.137 -1.211 -4.570 1.00 0.00 N ATOM 780 CA GLN A 52 35.973 -0.363 -4.160 1.00 0.00 C ATOM 781 C GLN A 52 36.201 0.204 -2.754 1.00 0.00 C ATOM 782 O GLN A 52 35.707 1.263 -2.416 1.00 0.00 O ATOM 783 CB GLN A 52 34.763 -1.301 -4.172 1.00 0.00 C ATOM 784 CG GLN A 52 33.514 -0.520 -4.586 1.00 0.00 C ATOM 785 CD GLN A 52 32.263 -1.297 -4.175 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.013 -1.491 -3.003 1.00 0.00 O ATOM 787 NE2 GLN A 52 31.459 -1.752 -5.097 1.00 0.00 N ATOM 0 H GLN A 52 36.907 -2.178 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 52 35.830 0.487 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.935 -2.125 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.620 -1.739 -3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.515 0.463 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.515 -0.357 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 52 31.668 -1.589 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.621 -2.270 -4.833 1.00 0.00 H new ATOM 796 N GLU A 53 36.954 -0.494 -1.941 1.00 0.00 N ATOM 797 CA GLU A 53 37.230 -0.003 -0.558 1.00 0.00 C ATOM 798 C GLU A 53 38.441 0.932 -0.572 1.00 0.00 C ATOM 799 O GLU A 53 38.496 1.903 0.159 1.00 0.00 O ATOM 800 CB GLU A 53 37.528 -1.262 0.257 1.00 0.00 C ATOM 801 CG GLU A 53 37.121 -1.038 1.715 1.00 0.00 C ATOM 802 CD GLU A 53 35.618 -1.282 1.869 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.239 -2.430 2.033 1.00 0.00 O ATOM 804 OE2 GLU A 53 34.873 -0.317 1.821 1.00 0.00 O ATOM 0 H GLU A 53 37.390 -1.385 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 53 36.396 0.560 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.985 -2.112 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.589 -1.503 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.678 -1.711 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.368 -0.021 2.021 1.00 0.00 H new ATOM 811 N CYS A 54 39.410 0.648 -1.408 1.00 0.00 N ATOM 812 CA CYS A 54 40.625 1.519 -1.487 1.00 0.00 C ATOM 813 C CYS A 54 40.219 2.947 -1.866 1.00 0.00 C ATOM 814 O CYS A 54 40.700 3.910 -1.300 1.00 0.00 O ATOM 815 CB CYS A 54 41.494 0.897 -2.586 1.00 0.00 C ATOM 816 SG CYS A 54 43.051 1.810 -2.727 1.00 0.00 S ATOM 0 H CYS A 54 39.412 -0.152 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 54 41.156 1.577 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.695 -0.149 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.963 0.917 -3.537 1.00 0.00 H new ATOM 821 N LEU A 55 39.331 3.081 -2.817 1.00 0.00 N ATOM 822 CA LEU A 55 38.877 4.439 -3.240 1.00 0.00 C ATOM 823 C LEU A 55 37.854 4.979 -2.237 1.00 0.00 C ATOM 824 O LEU A 55 37.981 6.073 -1.726 1.00 0.00 O ATOM 825 CB LEU A 55 38.231 4.235 -4.614 1.00 0.00 C ATOM 826 CG LEU A 55 39.270 3.687 -5.596 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.573 3.255 -6.887 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.296 4.777 -5.914 1.00 0.00 C ATOM 0 H LEU A 55 38.900 2.306 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 55 39.695 5.158 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.392 3.543 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.831 5.180 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 55 39.775 2.830 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.312 2.865 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 55 37.840 2.480 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.069 4.112 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.036 4.387 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.791 5.633 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.793 5.088 -4.995 1.00 0.00 H new ATOM 840 N ARG A 56 36.840 4.207 -1.943 1.00 0.00 N ATOM 841 CA ARG A 56 35.795 4.662 -0.969 1.00 0.00 C ATOM 842 C ARG A 56 36.421 5.098 0.366 1.00 0.00 C ATOM 843 O ARG A 56 35.795 5.793 1.145 1.00 0.00 O ATOM 844 CB ARG A 56 34.891 3.446 -0.754 1.00 0.00 C ATOM 845 CG ARG A 56 33.667 3.861 0.065 1.00 0.00 C ATOM 846 CD ARG A 56 32.897 2.614 0.505 1.00 0.00 C ATOM 847 NE ARG A 56 32.471 2.903 1.901 1.00 0.00 N ATOM 848 CZ ARG A 56 33.028 2.269 2.897 1.00 0.00 C ATOM 849 NH1 ARG A 56 34.272 2.509 3.210 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.342 1.393 3.579 1.00 0.00 N ATOM 0 H ARG A 56 36.688 3.278 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 56 35.250 5.526 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.578 3.037 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.439 2.659 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.978 4.435 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.022 4.508 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.038 2.431 -0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.525 1.725 0.459 1.00 0.00 H new ATOM 0 HE ARG A 56 31.744 3.596 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 56 34.809 3.192 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 56 34.707 2.013 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.370 1.203 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.778 0.898 4.357 1.00 0.00 H new ATOM 864 N ALA A 57 37.633 4.680 0.649 1.00 0.00 N ATOM 865 CA ALA A 57 38.268 5.056 1.947 1.00 0.00 C ATOM 866 C ALA A 57 39.223 6.256 1.805 1.00 0.00 C ATOM 867 O ALA A 57 39.030 7.277 2.440 1.00 0.00 O ATOM 868 CB ALA A 57 39.040 3.810 2.376 1.00 0.00 C ATOM 0 H ALA A 57 38.205 4.097 0.038 1.00 0.00 H new ATOM 0 HA ALA A 57 37.518 5.365 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.539 4.001 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.349 2.975 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.784 3.564 1.618 1.00 0.00 H new ATOM 874 N CYS A 58 40.260 6.140 1.008 1.00 0.00 N ATOM 875 CA CYS A 58 41.233 7.277 0.872 1.00 0.00 C ATOM 876 C CYS A 58 40.741 8.325 -0.135 1.00 0.00 C ATOM 877 O CYS A 58 41.018 9.502 0.014 1.00 0.00 O ATOM 878 CB CYS A 58 42.541 6.641 0.397 1.00 0.00 C ATOM 879 SG CYS A 58 43.926 7.749 0.770 1.00 0.00 S ATOM 0 H CYS A 58 40.475 5.315 0.449 1.00 0.00 H new ATOM 0 HA CYS A 58 41.355 7.805 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.689 5.679 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.495 6.448 -0.675 1.00 0.00 H new ATOM 884 N LYS A 59 40.016 7.921 -1.152 1.00 0.00 N ATOM 885 CA LYS A 59 39.517 8.921 -2.147 1.00 0.00 C ATOM 886 C LYS A 59 38.186 9.518 -1.669 1.00 0.00 C ATOM 887 O LYS A 59 37.824 10.616 -2.045 1.00 0.00 O ATOM 888 CB LYS A 59 39.340 8.155 -3.467 1.00 0.00 C ATOM 889 CG LYS A 59 38.787 9.101 -4.537 1.00 0.00 C ATOM 890 CD LYS A 59 38.939 8.463 -5.915 1.00 0.00 C ATOM 891 CE LYS A 59 38.128 9.265 -6.935 1.00 0.00 C ATOM 892 NZ LYS A 59 38.403 8.612 -8.244 1.00 0.00 N ATOM 0 H LYS A 59 39.751 6.953 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 59 40.210 9.753 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.295 7.742 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.661 7.314 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 59 37.737 9.316 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.318 10.052 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 59 39.990 8.441 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 38.594 7.429 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 37.064 9.243 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 59 38.431 10.312 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 37.881 9.107 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 39.422 8.654 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 38.098 7.618 -8.207 1.00 0.00 H new ATOM 906 N LYS A 60 37.458 8.810 -0.833 1.00 0.00 N ATOM 907 CA LYS A 60 36.149 9.342 -0.320 1.00 0.00 C ATOM 908 C LYS A 60 35.240 9.753 -1.485 1.00 0.00 C ATOM 909 O LYS A 60 34.947 10.919 -1.677 1.00 0.00 O ATOM 910 CB LYS A 60 36.521 10.562 0.532 1.00 0.00 C ATOM 911 CG LYS A 60 35.367 10.911 1.473 1.00 0.00 C ATOM 912 CD LYS A 60 35.254 9.844 2.562 1.00 0.00 C ATOM 913 CE LYS A 60 34.295 10.327 3.652 1.00 0.00 C ATOM 914 NZ LYS A 60 34.537 9.419 4.806 1.00 0.00 N ATOM 0 H LYS A 60 37.713 7.886 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 60 35.601 8.595 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.422 10.352 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.746 11.412 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 60 35.535 11.889 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 60 34.434 10.974 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 60 34.893 8.909 2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 60 36.236 9.641 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 60 34.491 11.366 3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 60 33.259 10.274 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 33.915 9.687 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 34.336 8.438 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 35.530 9.496 5.106 1.00 0.00 H new ATOM 928 N GLY A 61 34.794 8.800 -2.266 1.00 0.00 N ATOM 929 CA GLY A 61 33.907 9.124 -3.421 1.00 0.00 C ATOM 930 C GLY A 61 33.179 7.860 -3.882 1.00 0.00 C ATOM 931 O GLY A 61 31.987 7.944 -4.128 1.00 0.00 O ATOM 932 OXT GLY A 61 33.826 6.830 -3.981 1.00 0.00 O ATOM 0 H GLY A 61 35.008 7.809 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 61 33.184 9.887 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.496 9.535 -4.240 1.00 0.00 H new TER 936 GLY A 61