USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 30:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -146:sc= 1.36 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.138 K(o=0.14,f=-4!) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 1.49 (180deg=1.27) USER MOD Single : A 35 SER OG : rot 30:sc= 0.0695 USER MOD Single : A 43 HIS : no HD1:sc= 1.17 K(o=1.4,f=-4.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= 1.27 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -70:sc= 0.865 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -4.070 10.037 6.023 1.00 0.00 N ATOM 2 CA TYR A 1 -3.051 10.372 4.992 1.00 0.00 C ATOM 3 C TYR A 1 -2.888 9.202 3.942 1.00 0.00 C ATOM 4 O TYR A 1 -3.886 8.635 3.487 1.00 0.00 O ATOM 5 CB TYR A 1 -1.767 10.923 5.718 1.00 0.00 C ATOM 6 CG TYR A 1 -0.826 9.994 6.553 1.00 0.00 C ATOM 7 CD1 TYR A 1 -1.017 8.611 6.724 1.00 0.00 C ATOM 8 CD2 TYR A 1 0.314 10.589 7.108 1.00 0.00 C ATOM 9 CE1 TYR A 1 -0.070 7.846 7.400 1.00 0.00 C ATOM 10 CE2 TYR A 1 1.253 9.821 7.795 1.00 0.00 C ATOM 11 CZ TYR A 1 1.063 8.451 7.934 1.00 0.00 C ATOM 12 OH TYR A 1 1.992 7.692 8.595 1.00 0.00 O ATOM 0 H1 TYR A 1 -4.154 10.824 6.697 1.00 0.00 H new ATOM 0 H2 TYR A 1 -4.989 9.876 5.563 1.00 0.00 H new ATOM 0 H3 TYR A 1 -3.781 9.176 6.530 1.00 0.00 H new ATOM 0 HA TYR A 1 -3.361 11.190 4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -1.149 11.390 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -2.100 11.717 6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -1.904 8.139 6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 1 0.467 11.653 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -0.215 6.781 7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 1 2.128 10.291 8.219 1.00 0.00 H new ATOM 0 HH TYR A 1 1.998 6.785 8.223 1.00 0.00 H new ATOM 13 N ASN A 2 -1.647 8.844 3.572 1.00 0.00 N ATOM 14 CA ASN A 2 -1.345 7.652 2.723 1.00 0.00 C ATOM 15 C ASN A 2 -1.777 6.278 3.367 1.00 0.00 C ATOM 16 O ASN A 2 -1.310 5.900 4.445 1.00 0.00 O ATOM 17 CB ASN A 2 0.182 7.696 2.385 1.00 0.00 C ATOM 18 CG ASN A 2 1.163 7.814 3.583 1.00 0.00 C ATOM 19 OD1 ASN A 2 1.518 6.845 4.241 1.00 0.00 O ATOM 20 ND2 ASN A 2 1.603 9.011 3.903 1.00 0.00 N ATOM 0 H ASN A 2 -0.815 9.366 3.848 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.943 7.706 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.433 6.793 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.358 8.540 1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.236 9.127 4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.312 9.824 3.360 1.00 0.00 H new ATOM 21 N ARG A 3 -2.687 5.543 2.689 1.00 0.00 N ATOM 22 CA ARG A 3 -3.233 4.255 3.238 1.00 0.00 C ATOM 23 C ARG A 3 -2.428 2.956 2.861 1.00 0.00 C ATOM 24 O ARG A 3 -2.299 2.056 3.695 1.00 0.00 O ATOM 25 CB ARG A 3 -4.758 4.144 2.926 1.00 0.00 C ATOM 26 CG ARG A 3 -5.154 3.864 1.445 1.00 0.00 C ATOM 27 CD ARG A 3 -6.678 3.815 1.207 1.00 0.00 C ATOM 28 NE ARG A 3 -7.285 2.599 1.830 1.00 0.00 N ATOM 29 CZ ARG A 3 -8.600 2.351 1.861 1.00 0.00 C ATOM 30 NH1 ARG A 3 -9.495 3.169 1.358 1.00 0.00 N ATOM 31 NH2 ARG A 3 -9.013 1.248 2.416 1.00 0.00 N ATOM 0 H ARG A 3 -3.061 5.803 1.776 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.095 4.308 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.174 3.349 3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.237 5.073 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.721 4.637 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.716 2.915 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.142 4.710 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.882 3.818 0.136 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.659 1.917 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.199 4.040 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.486 2.933 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.339 0.595 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.010 1.037 2.452 1.00 0.00 H new ATOM 32 N LEU A 4 -1.899 2.841 1.622 1.00 0.00 N ATOM 33 CA LEU A 4 -1.137 1.618 1.194 1.00 0.00 C ATOM 34 C LEU A 4 0.307 1.477 1.810 1.00 0.00 C ATOM 35 O LEU A 4 0.793 0.353 1.956 1.00 0.00 O ATOM 36 CB LEU A 4 -1.086 1.552 -0.362 1.00 0.00 C ATOM 37 CG LEU A 4 -2.443 1.401 -1.111 1.00 0.00 C ATOM 38 CD1 LEU A 4 -2.220 1.560 -2.627 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.124 0.045 -0.850 1.00 0.00 C ATOM 0 H LEU A 4 -1.977 3.560 0.903 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.688 0.768 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.599 2.458 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.449 0.714 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.101 2.181 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.172 1.454 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.802 2.546 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.528 0.793 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.065 -0.001 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.470 -0.761 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.320 -0.064 0.217 1.00 0.00 H new ATOM 40 N CYS A 5 0.965 2.585 2.225 1.00 0.00 N ATOM 41 CA CYS A 5 2.189 2.505 3.083 1.00 0.00 C ATOM 42 C CYS A 5 1.965 2.034 4.581 1.00 0.00 C ATOM 43 O CYS A 5 2.942 1.855 5.314 1.00 0.00 O ATOM 44 CB CYS A 5 2.853 3.902 3.052 1.00 0.00 C ATOM 45 SG CYS A 5 3.533 4.272 1.418 1.00 0.00 S ATOM 0 H CYS A 5 0.681 3.536 1.988 1.00 0.00 H new ATOM 0 HA CYS A 5 2.819 1.720 2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.120 4.661 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.647 3.946 3.797 1.00 0.00 H new ATOM 46 N ILE A 6 0.709 1.802 5.029 1.00 0.00 N ATOM 47 CA ILE A 6 0.424 1.233 6.384 1.00 0.00 C ATOM 48 C ILE A 6 0.703 -0.317 6.346 1.00 0.00 C ATOM 49 O ILE A 6 0.193 -1.034 5.480 1.00 0.00 O ATOM 50 CB ILE A 6 -1.062 1.577 6.803 1.00 0.00 C ATOM 51 CG1 ILE A 6 -1.324 3.122 6.862 1.00 0.00 C ATOM 52 CG2 ILE A 6 -1.450 0.930 8.161 1.00 0.00 C ATOM 53 CD1 ILE A 6 -2.797 3.523 7.086 1.00 0.00 C ATOM 0 H ILE A 6 -0.128 1.997 4.479 1.00 0.00 H new ATOM 0 HA ILE A 6 1.075 1.673 7.140 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.693 1.153 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.721 3.548 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.978 3.570 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.478 1.193 8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.361 -0.154 8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.784 1.296 8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.878 4.610 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.408 3.133 6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.147 3.110 8.032 1.00 0.00 H new ATOM 54 N LYS A 7 1.504 -0.827 7.298 1.00 0.00 N ATOM 55 CA LYS A 7 1.832 -2.287 7.358 1.00 0.00 C ATOM 56 C LYS A 7 0.755 -3.204 8.085 1.00 0.00 C ATOM 57 O LYS A 7 0.445 -4.248 7.504 1.00 0.00 O ATOM 58 CB LYS A 7 3.272 -2.437 7.936 1.00 0.00 C ATOM 59 CG LYS A 7 3.866 -3.866 7.834 1.00 0.00 C ATOM 60 CD LYS A 7 5.265 -3.939 8.487 1.00 0.00 C ATOM 61 CE LYS A 7 5.887 -5.341 8.357 1.00 0.00 C ATOM 62 NZ LYS A 7 7.236 -5.367 8.984 1.00 0.00 N ATOM 0 H LYS A 7 1.938 -0.269 8.033 1.00 0.00 H new ATOM 0 HA LYS A 7 1.796 -2.677 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.933 -1.746 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.261 -2.137 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.197 -4.576 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.935 -4.160 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.922 -3.206 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.188 -3.672 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.242 -6.078 8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.962 -5.617 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.645 -6.319 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.853 -4.677 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.155 -5.124 9.992 1.00 0.00 H new ATOM 63 N PRO A 8 0.196 -2.933 9.318 1.00 0.00 N ATOM 64 CA PRO A 8 -0.448 -4.005 10.145 1.00 0.00 C ATOM 65 C PRO A 8 -1.759 -4.732 9.690 1.00 0.00 C ATOM 66 O PRO A 8 -1.963 -5.867 10.129 1.00 0.00 O ATOM 67 CB PRO A 8 -0.655 -3.306 11.504 1.00 0.00 C ATOM 68 CG PRO A 8 0.444 -2.252 11.573 1.00 0.00 C ATOM 69 CD PRO A 8 0.544 -1.746 10.137 1.00 0.00 C ATOM 0 HA PRO A 8 0.216 -4.868 10.097 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.643 -2.851 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.576 -4.014 12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.187 -1.449 12.264 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.387 -2.678 11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.143 -0.919 9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.546 -1.383 9.910 1.00 0.00 H new ATOM 70 N ARG A 9 -2.664 -4.114 8.890 1.00 0.00 N ATOM 71 CA ARG A 9 -4.029 -4.702 8.646 1.00 0.00 C ATOM 72 C ARG A 9 -4.019 -6.057 7.840 1.00 0.00 C ATOM 73 O ARG A 9 -3.950 -6.093 6.611 1.00 0.00 O ATOM 74 CB ARG A 9 -5.051 -3.636 8.122 1.00 0.00 C ATOM 75 CG ARG A 9 -4.683 -2.660 6.961 1.00 0.00 C ATOM 76 CD ARG A 9 -4.716 -3.229 5.518 1.00 0.00 C ATOM 77 NE ARG A 9 -3.434 -3.883 5.121 1.00 0.00 N ATOM 78 CZ ARG A 9 -2.309 -3.230 4.829 1.00 0.00 C ATOM 79 NH1 ARG A 9 -2.254 -1.925 4.741 1.00 0.00 N ATOM 80 NH2 ARG A 9 -1.222 -3.913 4.636 1.00 0.00 N ATOM 0 H ARG A 9 -2.492 -3.231 8.409 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.402 -5.004 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.943 -4.178 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.334 -3.021 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.365 -1.811 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.681 -2.274 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.527 -3.952 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.938 -2.422 4.820 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.418 -4.902 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.093 -1.367 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.372 -1.466 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.239 -4.930 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.351 -3.432 4.412 1.00 0.00 H new ATOM 81 N ASP A 10 -4.060 -7.191 8.578 1.00 0.00 N ATOM 82 CA ASP A 10 -3.837 -8.551 7.989 1.00 0.00 C ATOM 83 C ASP A 10 -2.477 -8.679 7.201 1.00 0.00 C ATOM 84 O ASP A 10 -2.462 -8.940 5.996 1.00 0.00 O ATOM 85 CB ASP A 10 -5.117 -9.004 7.212 1.00 0.00 C ATOM 86 CG ASP A 10 -5.065 -10.430 6.660 1.00 0.00 C ATOM 87 OD1 ASP A 10 -4.597 -11.324 7.573 1.00 0.00 O ATOM 88 OD2 ASP A 10 -5.383 -10.726 5.514 1.00 0.00 O ATOM 0 H ASP A 10 -4.244 -7.201 9.581 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.697 -9.269 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.977 -8.918 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.284 -8.315 6.384 1.00 0.00 H new ATOM 89 N TRP A 11 -1.334 -8.517 7.907 1.00 0.00 N ATOM 90 CA TRP A 11 0.003 -8.686 7.270 1.00 0.00 C ATOM 91 C TRP A 11 0.353 -10.213 7.174 1.00 0.00 C ATOM 92 O TRP A 11 0.051 -10.827 6.147 1.00 0.00 O ATOM 93 CB TRP A 11 1.027 -7.758 7.999 1.00 0.00 C ATOM 94 CG TRP A 11 2.411 -7.711 7.323 1.00 0.00 C ATOM 95 CD1 TRP A 11 3.575 -8.376 7.770 1.00 0.00 C ATOM 96 CD2 TRP A 11 2.763 -7.104 6.134 1.00 0.00 C ATOM 97 NE1 TRP A 11 4.654 -8.182 6.870 1.00 0.00 N ATOM 98 CE2 TRP A 11 4.103 -7.418 5.854 1.00 0.00 C ATOM 99 CE3 TRP A 11 1.997 -6.334 5.228 1.00 0.00 C ATOM 100 CZ2 TRP A 11 4.698 -7.007 4.641 1.00 0.00 C ATOM 101 CZ3 TRP A 11 2.601 -5.916 4.038 1.00 0.00 C ATOM 102 CH2 TRP A 11 3.930 -6.263 3.740 1.00 0.00 C ATOM 0 H TRP A 11 -1.304 -8.275 8.897 1.00 0.00 H new ATOM 0 HA TRP A 11 0.026 -8.355 6.232 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.620 -6.748 8.044 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.146 -8.100 9.027 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.635 -8.956 8.679 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.611 -8.525 6.952 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.972 -6.076 5.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.723 -7.262 4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.038 -5.317 3.337 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.364 -5.951 2.802 1.00 0.00 H new ATOM 103 N ILE A 12 0.942 -10.825 8.234 1.00 0.00 N ATOM 104 CA ILE A 12 1.166 -12.317 8.302 1.00 0.00 C ATOM 105 C ILE A 12 2.049 -12.824 7.094 1.00 0.00 C ATOM 106 O ILE A 12 1.538 -13.307 6.077 1.00 0.00 O ATOM 107 CB ILE A 12 -0.186 -13.108 8.528 1.00 0.00 C ATOM 108 CG1 ILE A 12 -0.981 -12.613 9.784 1.00 0.00 C ATOM 109 CG2 ILE A 12 0.061 -14.637 8.650 1.00 0.00 C ATOM 110 CD1 ILE A 12 -2.416 -13.162 9.893 1.00 0.00 C ATOM 0 H ILE A 12 1.274 -10.322 9.057 1.00 0.00 H new ATOM 0 HA ILE A 12 1.757 -12.540 9.190 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.792 -12.906 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.429 -12.895 10.681 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.023 -11.524 9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.889 -15.148 8.804 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.526 -15.005 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.720 -14.833 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.890 -12.767 10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.989 -12.858 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.386 -14.250 9.948 1.00 0.00 H new ATOM 111 N ASP A 13 3.380 -12.662 7.212 1.00 0.00 N ATOM 112 CA ASP A 13 4.304 -12.834 6.052 1.00 0.00 C ATOM 113 C ASP A 13 5.168 -14.133 6.146 1.00 0.00 C ATOM 114 O ASP A 13 6.336 -14.107 6.540 1.00 0.00 O ATOM 115 CB ASP A 13 5.127 -11.522 5.863 1.00 0.00 C ATOM 116 CG ASP A 13 6.156 -11.119 6.942 1.00 0.00 C ATOM 117 OD1 ASP A 13 5.727 -11.358 8.215 1.00 0.00 O ATOM 118 OD2 ASP A 13 7.233 -10.598 6.677 1.00 0.00 O ATOM 0 H ASP A 13 3.846 -12.415 8.085 1.00 0.00 H new ATOM 0 HA ASP A 13 3.720 -12.992 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.659 -11.602 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.418 -10.701 5.762 1.00 0.00 H new ATOM 119 N GLU A 14 4.584 -15.268 5.726 1.00 0.00 N ATOM 120 CA GLU A 14 5.356 -16.537 5.521 1.00 0.00 C ATOM 121 C GLU A 14 4.675 -17.413 4.404 1.00 0.00 C ATOM 122 O GLU A 14 4.252 -18.547 4.641 1.00 0.00 O ATOM 123 CB GLU A 14 5.616 -17.267 6.889 1.00 0.00 C ATOM 124 CG GLU A 14 4.424 -17.944 7.637 1.00 0.00 C ATOM 125 CD GLU A 14 3.263 -17.028 8.022 1.00 0.00 C ATOM 126 OE1 GLU A 14 3.444 -16.445 9.240 1.00 0.00 O ATOM 127 OE2 GLU A 14 2.279 -16.846 7.313 1.00 0.00 O ATOM 0 H GLU A 14 3.588 -15.348 5.519 1.00 0.00 H new ATOM 0 HA GLU A 14 6.353 -16.315 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.369 -18.035 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.057 -16.539 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.035 -18.745 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.809 -18.410 8.544 1.00 0.00 H new ATOM 128 N CYS A 15 4.532 -16.853 3.179 1.00 0.00 N ATOM 129 CA CYS A 15 3.549 -17.390 2.196 1.00 0.00 C ATOM 130 C CYS A 15 4.216 -18.066 0.949 1.00 0.00 C ATOM 131 O CYS A 15 4.311 -19.295 0.911 1.00 0.00 O ATOM 132 CB CYS A 15 2.555 -16.252 1.844 1.00 0.00 C ATOM 133 SG CYS A 15 1.857 -15.483 3.320 1.00 0.00 S ATOM 0 H CYS A 15 5.068 -16.050 2.849 1.00 0.00 H new ATOM 0 HA CYS A 15 2.996 -18.214 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.066 -15.496 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.749 -16.652 1.228 1.00 0.00 H new ATOM 134 N ASP A 16 4.617 -17.291 -0.090 1.00 0.00 N ATOM 135 CA ASP A 16 4.886 -17.868 -1.442 1.00 0.00 C ATOM 136 C ASP A 16 6.384 -17.733 -1.894 1.00 0.00 C ATOM 137 O ASP A 16 7.052 -18.756 -2.053 1.00 0.00 O ATOM 138 CB ASP A 16 3.842 -17.242 -2.420 1.00 0.00 C ATOM 139 CG ASP A 16 3.862 -17.832 -3.827 1.00 0.00 C ATOM 140 OD1 ASP A 16 3.120 -18.970 -3.919 1.00 0.00 O ATOM 141 OD2 ASP A 16 4.474 -17.331 -4.764 1.00 0.00 O ATOM 0 H ASP A 16 4.761 -16.283 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 16 4.756 -18.950 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.845 -17.372 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.023 -16.169 -2.487 1.00 0.00 H new ATOM 142 N SER A 17 6.892 -16.508 -2.171 1.00 0.00 N ATOM 143 CA SER A 17 8.196 -16.347 -2.892 1.00 0.00 C ATOM 144 C SER A 17 9.405 -16.159 -1.911 1.00 0.00 C ATOM 145 O SER A 17 9.971 -17.148 -1.441 1.00 0.00 O ATOM 146 CB SER A 17 8.021 -15.249 -3.984 1.00 0.00 C ATOM 147 OG SER A 17 7.780 -13.962 -3.405 1.00 0.00 O ATOM 0 H SER A 17 6.438 -15.631 -1.917 1.00 0.00 H new ATOM 0 HA SER A 17 8.467 -17.266 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.916 -15.207 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.191 -15.515 -4.638 1.00 0.00 H new ATOM 0 HG SER A 17 7.177 -13.450 -3.984 1.00 0.00 H new ATOM 148 N ASN A 18 9.802 -14.907 -1.609 1.00 0.00 N ATOM 149 CA ASN A 18 10.901 -14.629 -0.637 1.00 0.00 C ATOM 150 C ASN A 18 10.321 -14.473 0.810 1.00 0.00 C ATOM 151 O ASN A 18 10.533 -15.351 1.649 1.00 0.00 O ATOM 152 CB ASN A 18 11.699 -13.410 -1.180 1.00 0.00 C ATOM 153 CG ASN A 18 12.930 -13.023 -0.356 1.00 0.00 C ATOM 154 OD1 ASN A 18 12.891 -12.120 0.471 1.00 0.00 O ATOM 155 ND2 ASN A 18 14.047 -13.679 -0.562 1.00 0.00 N ATOM 0 H ASN A 18 9.386 -14.070 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 18 11.605 -15.457 -0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.017 -13.628 -2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.030 -12.551 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.885 -13.438 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.077 -14.431 -1.251 1.00 0.00 H new ATOM 156 N GLU A 19 9.560 -13.393 1.091 1.00 0.00 N ATOM 157 CA GLU A 19 8.740 -13.325 2.338 1.00 0.00 C ATOM 158 C GLU A 19 7.335 -12.689 2.045 1.00 0.00 C ATOM 159 O GLU A 19 6.968 -11.638 2.582 1.00 0.00 O ATOM 160 CB GLU A 19 9.564 -12.589 3.440 1.00 0.00 C ATOM 161 CG GLU A 19 9.036 -12.832 4.878 1.00 0.00 C ATOM 162 CD GLU A 19 9.333 -14.240 5.406 1.00 0.00 C ATOM 163 OE1 GLU A 19 8.700 -15.240 5.078 1.00 0.00 O ATOM 164 OE2 GLU A 19 10.382 -14.255 6.273 1.00 0.00 O ATOM 0 H GLU A 19 9.491 -12.570 0.492 1.00 0.00 H new ATOM 0 HA GLU A 19 8.521 -14.324 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.603 -12.915 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.554 -11.519 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.482 -12.099 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.959 -12.666 4.895 1.00 0.00 H new ATOM 165 N GLY A 20 6.548 -13.347 1.171 1.00 0.00 N ATOM 166 CA GLY A 20 5.238 -12.798 0.739 1.00 0.00 C ATOM 167 C GLY A 20 4.786 -13.365 -0.620 1.00 0.00 C ATOM 168 O GLY A 20 4.119 -14.399 -0.669 1.00 0.00 O ATOM 0 H GLY A 20 6.787 -14.246 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.485 -13.025 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.306 -11.712 0.673 1.00 0.00 H new ATOM 169 N GLY A 21 5.121 -12.670 -1.718 1.00 0.00 N ATOM 170 CA GLY A 21 4.586 -13.040 -3.058 1.00 0.00 C ATOM 171 C GLY A 21 5.180 -12.172 -4.183 1.00 0.00 C ATOM 172 O GLY A 21 6.209 -12.538 -4.758 1.00 0.00 O ATOM 0 H GLY A 21 5.746 -11.864 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.805 -14.089 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.501 -12.935 -3.055 1.00 0.00 H new ATOM 173 N GLU A 22 4.549 -11.023 -4.485 1.00 0.00 N ATOM 174 CA GLU A 22 5.127 -10.028 -5.449 1.00 0.00 C ATOM 175 C GLU A 22 5.687 -8.758 -4.710 1.00 0.00 C ATOM 176 O GLU A 22 5.373 -8.494 -3.543 1.00 0.00 O ATOM 177 CB GLU A 22 4.109 -9.702 -6.591 1.00 0.00 C ATOM 178 CG GLU A 22 2.788 -8.971 -6.214 1.00 0.00 C ATOM 179 CD GLU A 22 1.707 -9.878 -5.621 1.00 0.00 C ATOM 180 OE1 GLU A 22 1.112 -10.654 -6.570 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.406 -9.897 -4.432 1.00 0.00 O ATOM 0 H GLU A 22 3.650 -10.749 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 22 5.993 -10.478 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.626 -9.094 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.843 -10.641 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.016 -8.182 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.389 -8.486 -7.105 1.00 0.00 H new ATOM 182 N ARG A 23 6.562 -7.987 -5.392 1.00 0.00 N ATOM 183 CA ARG A 23 7.296 -6.861 -4.735 1.00 0.00 C ATOM 184 C ARG A 23 6.427 -5.572 -4.512 1.00 0.00 C ATOM 185 O ARG A 23 5.554 -5.215 -5.311 1.00 0.00 O ATOM 186 CB ARG A 23 8.565 -6.511 -5.567 1.00 0.00 C ATOM 187 CG ARG A 23 9.700 -7.566 -5.478 1.00 0.00 C ATOM 188 CD ARG A 23 10.962 -7.172 -6.278 1.00 0.00 C ATOM 189 NE ARG A 23 10.749 -7.293 -7.758 1.00 0.00 N ATOM 190 CZ ARG A 23 11.083 -8.368 -8.487 1.00 0.00 C ATOM 191 NH1 ARG A 23 11.632 -9.440 -7.970 1.00 0.00 N ATOM 192 NH2 ARG A 23 10.850 -8.349 -9.769 1.00 0.00 N ATOM 0 H ARG A 23 6.781 -8.113 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 23 7.570 -7.212 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.278 -6.391 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.952 -5.549 -5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.971 -7.711 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.328 -8.522 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.240 -6.147 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.795 -7.808 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 23 10.321 -6.504 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.824 -9.483 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.867 -10.232 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.422 -7.528 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.095 -9.155 -10.344 1.00 0.00 H new ATOM 193 N ALA A 24 6.730 -4.872 -3.405 1.00 0.00 N ATOM 194 CA ALA A 24 6.056 -3.600 -3.036 1.00 0.00 C ATOM 195 C ALA A 24 7.073 -2.538 -2.505 1.00 0.00 C ATOM 196 O ALA A 24 8.225 -2.841 -2.176 1.00 0.00 O ATOM 197 CB ALA A 24 5.023 -3.952 -1.949 1.00 0.00 C ATOM 0 H ALA A 24 7.445 -5.164 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 24 5.581 -3.156 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.497 -3.048 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.307 -4.671 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.533 -4.386 -1.089 1.00 0.00 H new ATOM 198 N TYR A 25 6.619 -1.277 -2.403 1.00 0.00 N ATOM 199 CA TYR A 25 7.472 -0.170 -1.874 1.00 0.00 C ATOM 200 C TYR A 25 6.705 0.559 -0.725 1.00 0.00 C ATOM 201 O TYR A 25 5.685 1.217 -0.953 1.00 0.00 O ATOM 202 CB TYR A 25 7.868 0.787 -3.036 1.00 0.00 C ATOM 203 CG TYR A 25 8.942 0.204 -3.974 1.00 0.00 C ATOM 204 CD1 TYR A 25 10.298 0.321 -3.653 1.00 0.00 C ATOM 205 CD2 TYR A 25 8.566 -0.474 -5.138 1.00 0.00 C ATOM 206 CE1 TYR A 25 11.266 -0.228 -4.492 1.00 0.00 C ATOM 207 CE2 TYR A 25 9.536 -1.022 -5.974 1.00 0.00 C ATOM 208 CZ TYR A 25 10.885 -0.896 -5.652 1.00 0.00 C ATOM 209 OH TYR A 25 11.839 -1.432 -6.473 1.00 0.00 O ATOM 0 H TYR A 25 5.679 -0.989 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 25 8.399 -0.561 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.978 1.025 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.234 1.724 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.596 0.838 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.520 -0.573 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.313 -0.135 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.242 -1.545 -6.872 1.00 0.00 H new ATOM 0 HH TYR A 25 11.406 -1.865 -7.238 1.00 0.00 H new ATOM 210 N PHE A 26 7.205 0.420 0.519 1.00 0.00 N ATOM 211 CA PHE A 26 6.537 1.010 1.722 1.00 0.00 C ATOM 212 C PHE A 26 7.403 2.181 2.302 1.00 0.00 C ATOM 213 O PHE A 26 8.635 2.153 2.286 1.00 0.00 O ATOM 214 CB PHE A 26 6.305 -0.110 2.786 1.00 0.00 C ATOM 215 CG PHE A 26 5.044 -0.980 2.574 1.00 0.00 C ATOM 216 CD1 PHE A 26 4.957 -1.877 1.502 1.00 0.00 C ATOM 217 CD2 PHE A 26 3.999 -0.925 3.503 1.00 0.00 C ATOM 218 CE1 PHE A 26 3.845 -2.706 1.368 1.00 0.00 C ATOM 219 CE2 PHE A 26 2.882 -1.744 3.354 1.00 0.00 C ATOM 220 CZ PHE A 26 2.806 -2.631 2.287 1.00 0.00 C ATOM 0 H PHE A 26 8.063 -0.090 0.728 1.00 0.00 H new ATOM 0 HA PHE A 26 5.569 1.425 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.178 -0.763 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.243 0.355 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.755 -1.926 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.059 -0.244 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.791 -3.408 0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.074 -1.690 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.938 -3.263 2.172 1.00 0.00 H new ATOM 221 N ARG A 27 6.738 3.223 2.829 1.00 0.00 N ATOM 222 CA ARG A 27 7.431 4.469 3.278 1.00 0.00 C ATOM 223 C ARG A 27 8.295 4.278 4.576 1.00 0.00 C ATOM 224 O ARG A 27 7.769 4.023 5.667 1.00 0.00 O ATOM 225 CB ARG A 27 6.311 5.521 3.483 1.00 0.00 C ATOM 226 CG ARG A 27 6.794 6.950 3.881 1.00 0.00 C ATOM 227 CD ARG A 27 6.071 7.529 5.117 1.00 0.00 C ATOM 228 NE ARG A 27 6.386 6.708 6.326 1.00 0.00 N ATOM 229 CZ ARG A 27 5.827 6.892 7.524 1.00 0.00 C ATOM 230 NH1 ARG A 27 4.993 7.872 7.781 1.00 0.00 N ATOM 231 NH2 ARG A 27 6.124 6.057 8.475 1.00 0.00 N ATOM 0 H ARG A 27 5.726 3.239 2.959 1.00 0.00 H new ATOM 0 HA ARG A 27 8.156 4.784 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.734 5.595 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.633 5.158 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.865 6.919 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.645 7.622 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.380 8.562 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.995 7.541 4.946 1.00 0.00 H new ATOM 0 HE ARG A 27 7.072 5.959 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.745 8.536 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.592 7.969 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.768 5.287 8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.713 6.172 9.401 1.00 0.00 H new ATOM 232 N ASN A 28 9.621 4.478 4.453 1.00 0.00 N ATOM 233 CA ASN A 28 10.560 4.318 5.612 1.00 0.00 C ATOM 234 C ASN A 28 10.514 5.417 6.743 1.00 0.00 C ATOM 235 O ASN A 28 10.906 5.139 7.883 1.00 0.00 O ATOM 236 CB ASN A 28 12.001 4.084 5.059 1.00 0.00 C ATOM 237 CG ASN A 28 12.669 5.229 4.260 1.00 0.00 C ATOM 238 OD1 ASN A 28 12.418 6.416 4.446 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.562 4.887 3.363 1.00 0.00 N ATOM 0 H ASN A 28 10.075 4.748 3.580 1.00 0.00 H new ATOM 0 HA ASN A 28 10.202 3.446 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.648 3.845 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.974 3.202 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.044 5.606 2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.774 3.902 3.205 1.00 0.00 H new ATOM 240 N GLY A 29 10.076 6.653 6.437 1.00 0.00 N ATOM 241 CA GLY A 29 10.150 7.782 7.415 1.00 0.00 C ATOM 242 C GLY A 29 11.544 8.449 7.586 1.00 0.00 C ATOM 243 O GLY A 29 11.932 8.778 8.709 1.00 0.00 O ATOM 0 H GLY A 29 9.670 6.905 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.438 8.549 7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.824 7.415 8.388 1.00 0.00 H new ATOM 244 N LYS A 30 12.280 8.644 6.479 1.00 0.00 N ATOM 245 CA LYS A 30 13.544 9.446 6.465 1.00 0.00 C ATOM 246 C LYS A 30 13.568 10.287 5.144 1.00 0.00 C ATOM 247 O LYS A 30 13.485 11.517 5.188 1.00 0.00 O ATOM 248 CB LYS A 30 14.842 8.579 6.624 1.00 0.00 C ATOM 249 CG LYS A 30 14.965 7.782 7.948 1.00 0.00 C ATOM 250 CD LYS A 30 14.479 6.316 7.804 1.00 0.00 C ATOM 251 CE LYS A 30 14.205 5.625 9.154 1.00 0.00 C ATOM 252 NZ LYS A 30 12.876 6.050 9.676 1.00 0.00 N ATOM 0 H LYS A 30 12.030 8.259 5.568 1.00 0.00 H new ATOM 0 HA LYS A 30 13.546 10.101 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.890 7.875 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.708 9.236 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.004 7.787 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.384 8.280 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.568 6.300 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.229 5.745 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.228 4.542 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.986 5.881 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.787 5.765 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.789 7.084 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.123 5.599 9.118 1.00 0.00 H new ATOM 253 N GLY A 31 13.642 9.617 3.976 1.00 0.00 N ATOM 254 CA GLY A 31 13.455 10.298 2.667 1.00 0.00 C ATOM 255 C GLY A 31 13.358 9.308 1.485 1.00 0.00 C ATOM 256 O GLY A 31 14.135 9.401 0.534 1.00 0.00 O ATOM 0 H GLY A 31 13.827 8.616 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.549 10.903 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.287 10.981 2.496 1.00 0.00 H new ATOM 257 N GLY A 32 12.404 8.359 1.543 1.00 0.00 N ATOM 258 CA GLY A 32 12.296 7.314 0.494 1.00 0.00 C ATOM 259 C GLY A 32 11.393 6.118 0.867 1.00 0.00 C ATOM 260 O GLY A 32 10.586 6.158 1.805 1.00 0.00 O ATOM 0 H GLY A 32 11.709 8.290 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.912 7.772 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.295 6.941 0.267 1.00 0.00 H new ATOM 261 N CYS A 33 11.554 5.034 0.094 1.00 0.00 N ATOM 262 CA CYS A 33 10.785 3.781 0.318 1.00 0.00 C ATOM 263 C CYS A 33 11.727 2.577 0.638 1.00 0.00 C ATOM 264 O CYS A 33 12.805 2.414 0.057 1.00 0.00 O ATOM 265 CB CYS A 33 9.954 3.449 -0.938 1.00 0.00 C ATOM 266 SG CYS A 33 9.054 4.879 -1.556 1.00 0.00 S ATOM 0 H CYS A 33 12.204 4.990 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 33 10.130 3.943 1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.614 3.072 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.249 2.651 -0.704 1.00 0.00 H new ATOM 267 N ASP A 34 11.258 1.700 1.535 1.00 0.00 N ATOM 268 CA ASP A 34 11.881 0.364 1.751 1.00 0.00 C ATOM 269 C ASP A 34 11.201 -0.724 0.839 1.00 0.00 C ATOM 270 O ASP A 34 9.979 -0.730 0.636 1.00 0.00 O ATOM 271 CB ASP A 34 11.839 0.022 3.272 1.00 0.00 C ATOM 272 CG ASP A 34 10.455 0.041 3.944 1.00 0.00 C ATOM 273 OD1 ASP A 34 9.534 -0.698 3.629 1.00 0.00 O ATOM 274 OD2 ASP A 34 10.365 0.985 4.921 1.00 0.00 O ATOM 0 H ASP A 34 10.449 1.881 2.129 1.00 0.00 H new ATOM 0 HA ASP A 34 12.929 0.380 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.271 -0.969 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.483 0.727 3.798 1.00 0.00 H new ATOM 275 N SER A 35 12.017 -1.637 0.277 1.00 0.00 N ATOM 276 CA SER A 35 11.510 -2.687 -0.654 1.00 0.00 C ATOM 277 C SER A 35 10.895 -3.913 0.110 1.00 0.00 C ATOM 278 O SER A 35 11.553 -4.572 0.921 1.00 0.00 O ATOM 279 CB SER A 35 12.660 -3.094 -1.611 1.00 0.00 C ATOM 280 OG SER A 35 13.779 -3.638 -0.902 1.00 0.00 O ATOM 0 H SER A 35 13.022 -1.676 0.444 1.00 0.00 H new ATOM 0 HA SER A 35 10.687 -2.282 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.293 -3.829 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.981 -2.224 -2.183 1.00 0.00 H new ATOM 0 HG SER A 35 13.466 -4.079 -0.085 1.00 0.00 H new ATOM 281 N PHE A 36 9.603 -4.176 -0.146 1.00 0.00 N ATOM 282 CA PHE A 36 8.806 -5.189 0.613 1.00 0.00 C ATOM 283 C PHE A 36 8.237 -6.313 -0.324 1.00 0.00 C ATOM 284 O PHE A 36 8.362 -6.278 -1.553 1.00 0.00 O ATOM 285 CB PHE A 36 7.662 -4.408 1.361 1.00 0.00 C ATOM 286 CG PHE A 36 7.880 -4.075 2.858 1.00 0.00 C ATOM 287 CD1 PHE A 36 9.146 -3.867 3.424 1.00 0.00 C ATOM 288 CD2 PHE A 36 6.746 -3.931 3.666 1.00 0.00 C ATOM 289 CE1 PHE A 36 9.269 -3.542 4.773 1.00 0.00 C ATOM 290 CE2 PHE A 36 6.870 -3.586 5.007 1.00 0.00 C ATOM 291 CZ PHE A 36 8.132 -3.394 5.561 1.00 0.00 C ATOM 0 H PHE A 36 9.072 -3.703 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 36 9.440 -5.710 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.492 -3.471 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.746 -4.993 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.030 -3.959 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.765 -4.090 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.248 -3.405 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.988 -3.467 5.618 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.229 -3.130 6.604 1.00 0.00 H new ATOM 292 N TRP A 37 7.598 -7.324 0.298 1.00 0.00 N ATOM 293 CA TRP A 37 6.953 -8.452 -0.442 1.00 0.00 C ATOM 294 C TRP A 37 5.490 -8.646 0.079 1.00 0.00 C ATOM 295 O TRP A 37 5.241 -8.678 1.291 1.00 0.00 O ATOM 296 CB TRP A 37 7.775 -9.754 -0.235 1.00 0.00 C ATOM 297 CG TRP A 37 9.147 -9.755 -0.924 1.00 0.00 C ATOM 298 CD1 TRP A 37 10.372 -9.378 -0.329 1.00 0.00 C ATOM 299 CD2 TRP A 37 9.462 -10.171 -2.198 1.00 0.00 C ATOM 300 NE1 TRP A 37 11.452 -9.549 -1.229 1.00 0.00 N ATOM 301 CE2 TRP A 37 10.849 -10.052 -2.373 1.00 0.00 C ATOM 302 CE3 TRP A 37 8.644 -10.713 -3.217 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.461 -10.506 -3.561 1.00 0.00 C ATOM 304 CZ3 TRP A 37 9.258 -11.149 -4.395 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.651 -11.056 -4.563 1.00 0.00 C ATOM 0 H TRP A 37 7.509 -7.392 1.312 1.00 0.00 H new ATOM 0 HA TRP A 37 6.925 -8.222 -1.507 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.919 -9.912 0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.195 -10.598 -0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.472 -9.008 0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.440 -9.349 -1.073 1.00 0.00 H new ATOM 0 HE3 TRP A 37 7.574 -10.788 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.530 -10.431 -3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.653 -11.564 -5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.102 -11.413 -5.477 1.00 0.00 H new ATOM 306 N ILE A 38 4.520 -8.788 -0.844 1.00 0.00 N ATOM 307 CA ILE A 38 3.071 -8.849 -0.465 1.00 0.00 C ATOM 308 C ILE A 38 2.620 -10.347 -0.363 1.00 0.00 C ATOM 309 O ILE A 38 2.547 -11.050 -1.377 1.00 0.00 O ATOM 310 CB ILE A 38 2.144 -8.092 -1.497 1.00 0.00 C ATOM 311 CG1 ILE A 38 2.646 -6.685 -1.938 1.00 0.00 C ATOM 312 CG2 ILE A 38 0.705 -7.968 -0.921 1.00 0.00 C ATOM 313 CD1 ILE A 38 1.918 -6.124 -3.178 1.00 0.00 C ATOM 0 H ILE A 38 4.696 -8.863 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 38 2.965 -8.350 0.498 1.00 0.00 H new ATOM 0 HB ILE A 38 2.164 -8.705 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.521 -5.989 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.714 -6.740 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.070 -7.445 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.300 -8.963 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.734 -7.409 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.322 -5.142 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.064 -6.798 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.853 -6.035 -2.965 1.00 0.00 H new ATOM 314 N CYS A 39 2.236 -10.810 0.844 1.00 0.00 N ATOM 315 CA CYS A 39 1.560 -12.135 0.989 1.00 0.00 C ATOM 316 C CYS A 39 0.111 -12.141 0.352 1.00 0.00 C ATOM 317 O CYS A 39 -0.635 -11.184 0.581 1.00 0.00 O ATOM 318 CB CYS A 39 1.496 -12.466 2.497 1.00 0.00 C ATOM 319 SG CYS A 39 0.607 -14.022 2.762 1.00 0.00 S ATOM 0 H CYS A 39 2.374 -10.306 1.720 1.00 0.00 H new ATOM 0 HA CYS A 39 2.131 -12.891 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.505 -12.542 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.997 -11.658 3.033 1.00 0.00 H new ATOM 320 N PRO A 40 -0.341 -13.189 -0.418 1.00 0.00 N ATOM 321 CA PRO A 40 -1.719 -13.241 -1.007 1.00 0.00 C ATOM 322 C PRO A 40 -2.961 -12.859 -0.127 1.00 0.00 C ATOM 323 O PRO A 40 -3.850 -12.158 -0.614 1.00 0.00 O ATOM 324 CB PRO A 40 -1.776 -14.688 -1.529 1.00 0.00 C ATOM 325 CG PRO A 40 -0.334 -15.005 -1.929 1.00 0.00 C ATOM 326 CD PRO A 40 0.522 -14.298 -0.874 1.00 0.00 C ATOM 0 HA PRO A 40 -1.828 -12.446 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.135 -15.373 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.453 -14.778 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.151 -16.079 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.111 -14.639 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.783 -14.967 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.458 -13.931 -1.296 1.00 0.00 H new ATOM 327 N GLU A 41 -3.007 -13.273 1.157 1.00 0.00 N ATOM 328 CA GLU A 41 -4.055 -12.780 2.115 1.00 0.00 C ATOM 329 C GLU A 41 -3.982 -11.245 2.458 1.00 0.00 C ATOM 330 O GLU A 41 -5.017 -10.572 2.462 1.00 0.00 O ATOM 331 CB GLU A 41 -4.138 -13.709 3.367 1.00 0.00 C ATOM 332 CG GLU A 41 -2.830 -14.055 4.140 1.00 0.00 C ATOM 333 CD GLU A 41 -2.290 -12.967 5.066 1.00 0.00 C ATOM 334 OE1 GLU A 41 -2.821 -12.664 6.129 1.00 0.00 O ATOM 335 OE2 GLU A 41 -1.137 -12.410 4.595 1.00 0.00 O ATOM 0 H GLU A 41 -2.348 -13.937 1.563 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.006 -12.851 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.826 -13.246 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.591 -14.648 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.009 -14.952 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.057 -14.302 3.413 1.00 0.00 H new ATOM 336 N ASP A 42 -2.773 -10.676 2.654 1.00 0.00 N ATOM 337 CA ASP A 42 -2.587 -9.192 2.626 1.00 0.00 C ATOM 338 C ASP A 42 -2.935 -8.531 1.231 1.00 0.00 C ATOM 339 O ASP A 42 -3.472 -7.419 1.207 1.00 0.00 O ATOM 340 CB ASP A 42 -1.133 -8.893 3.086 1.00 0.00 C ATOM 341 CG ASP A 42 -0.853 -7.405 3.329 1.00 0.00 C ATOM 342 OD1 ASP A 42 -1.411 -6.730 4.192 1.00 0.00 O ATOM 343 OD2 ASP A 42 0.090 -6.921 2.473 1.00 0.00 O ATOM 0 H ASP A 42 -1.918 -11.204 2.831 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.300 -8.731 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.932 -9.445 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.440 -9.265 2.332 1.00 0.00 H new ATOM 344 N HIS A 43 -2.681 -9.218 0.087 1.00 0.00 N ATOM 345 CA HIS A 43 -3.228 -8.792 -1.240 1.00 0.00 C ATOM 346 C HIS A 43 -4.782 -9.069 -1.388 1.00 0.00 C ATOM 347 O HIS A 43 -5.239 -9.736 -2.325 1.00 0.00 O ATOM 348 CB HIS A 43 -2.388 -9.498 -2.356 1.00 0.00 C ATOM 349 CG HIS A 43 -2.475 -8.829 -3.735 1.00 0.00 C ATOM 350 ND1 HIS A 43 -3.631 -8.778 -4.496 1.00 0.00 N ATOM 351 CD2 HIS A 43 -1.430 -8.166 -4.413 1.00 0.00 C ATOM 352 CE1 HIS A 43 -3.205 -8.039 -5.561 1.00 0.00 C ATOM 353 NE2 HIS A 43 -1.896 -7.652 -5.619 1.00 0.00 N ATOM 0 H HIS A 43 -2.108 -10.061 0.050 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.135 -7.710 -1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.344 -9.526 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.722 -10.532 -2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.417 -8.071 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.893 -7.764 -6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.400 -7.132 -6.343 1.00 0.00 H new ATOM 354 N THR A 44 -5.595 -8.466 -0.504 1.00 0.00 N ATOM 355 CA THR A 44 -7.075 -8.414 -0.683 1.00 0.00 C ATOM 356 C THR A 44 -7.429 -7.276 -1.710 1.00 0.00 C ATOM 357 O THR A 44 -7.664 -6.120 -1.343 1.00 0.00 O ATOM 358 CB THR A 44 -7.797 -8.310 0.706 1.00 0.00 C ATOM 359 OG1 THR A 44 -9.193 -8.142 0.497 1.00 0.00 O ATOM 360 CG2 THR A 44 -7.338 -7.183 1.656 1.00 0.00 C ATOM 0 H THR A 44 -5.263 -8.006 0.343 1.00 0.00 H new ATOM 0 HA THR A 44 -7.452 -9.341 -1.116 1.00 0.00 H new ATOM 0 HB THR A 44 -7.529 -9.242 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.648 -8.078 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.918 -7.226 2.578 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.280 -7.310 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.491 -6.217 1.175 1.00 0.00 H new ATOM 361 N GLY A 45 -7.415 -7.623 -3.016 1.00 0.00 N ATOM 362 CA GLY A 45 -7.614 -6.619 -4.098 1.00 0.00 C ATOM 363 C GLY A 45 -6.323 -5.881 -4.537 1.00 0.00 C ATOM 364 O GLY A 45 -5.697 -6.243 -5.535 1.00 0.00 O ATOM 0 H GLY A 45 -7.270 -8.576 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.044 -7.119 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.343 -5.881 -3.762 1.00 0.00 H new ATOM 365 N ALA A 46 -5.971 -4.812 -3.806 1.00 0.00 N ATOM 366 CA ALA A 46 -4.958 -3.823 -4.271 1.00 0.00 C ATOM 367 C ALA A 46 -3.461 -4.292 -4.285 1.00 0.00 C ATOM 368 O ALA A 46 -3.020 -5.135 -3.494 1.00 0.00 O ATOM 369 CB ALA A 46 -5.106 -2.604 -3.333 1.00 0.00 C ATOM 0 H ALA A 46 -6.367 -4.601 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.164 -3.622 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.388 -1.835 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.117 -2.204 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.918 -2.911 -2.304 1.00 0.00 H new ATOM 370 N ASP A 47 -2.672 -3.654 -5.175 1.00 0.00 N ATOM 371 CA ASP A 47 -1.182 -3.734 -5.117 1.00 0.00 C ATOM 372 C ASP A 47 -0.635 -2.569 -4.227 1.00 0.00 C ATOM 373 O ASP A 47 -0.986 -1.399 -4.424 1.00 0.00 O ATOM 374 CB ASP A 47 -0.578 -3.606 -6.545 1.00 0.00 C ATOM 375 CG ASP A 47 -0.956 -4.727 -7.513 1.00 0.00 C ATOM 376 OD1 ASP A 47 -0.624 -5.899 -7.361 1.00 0.00 O ATOM 377 OD2 ASP A 47 -1.701 -4.272 -8.559 1.00 0.00 O ATOM 0 H ASP A 47 -3.030 -3.081 -5.939 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.898 -4.697 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.896 -2.655 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.508 -3.571 -6.461 1.00 0.00 H new ATOM 378 N TYR A 48 0.255 -2.882 -3.267 1.00 0.00 N ATOM 379 CA TYR A 48 0.798 -1.841 -2.333 1.00 0.00 C ATOM 380 C TYR A 48 2.043 -1.102 -2.949 1.00 0.00 C ATOM 381 O TYR A 48 3.180 -1.258 -2.495 1.00 0.00 O ATOM 382 CB TYR A 48 1.122 -2.494 -0.953 1.00 0.00 C ATOM 383 CG TYR A 48 -0.072 -3.140 -0.219 1.00 0.00 C ATOM 384 CD1 TYR A 48 -0.915 -2.377 0.591 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.321 -4.506 -0.373 1.00 0.00 C ATOM 386 CE1 TYR A 48 -2.007 -2.971 1.223 1.00 0.00 C ATOM 387 CE2 TYR A 48 -1.410 -5.097 0.259 1.00 0.00 C ATOM 388 CZ TYR A 48 -2.250 -4.333 1.059 1.00 0.00 C ATOM 389 OH TYR A 48 -3.315 -4.917 1.695 1.00 0.00 O ATOM 0 H TYR A 48 0.616 -3.823 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 48 0.038 -1.075 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.887 -3.256 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.554 -1.732 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.721 -1.324 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.335 -5.106 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.664 -2.375 1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.603 -6.151 0.128 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.639 -5.674 1.163 1.00 0.00 H new ATOM 390 N TYR A 49 1.797 -0.285 -3.998 1.00 0.00 N ATOM 391 CA TYR A 49 2.867 0.480 -4.722 1.00 0.00 C ATOM 392 C TYR A 49 3.909 -0.440 -5.447 1.00 0.00 C ATOM 393 O TYR A 49 4.907 -0.865 -4.860 1.00 0.00 O ATOM 394 CB TYR A 49 3.572 1.558 -3.838 1.00 0.00 C ATOM 395 CG TYR A 49 2.640 2.608 -3.206 1.00 0.00 C ATOM 396 CD1 TYR A 49 1.865 3.450 -4.012 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.561 2.726 -1.816 1.00 0.00 C ATOM 398 CE1 TYR A 49 1.015 4.388 -3.434 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.712 3.668 -1.243 1.00 0.00 C ATOM 400 CZ TYR A 49 0.934 4.490 -2.048 1.00 0.00 C ATOM 401 OH TYR A 49 0.068 5.379 -1.469 1.00 0.00 O ATOM 0 H TYR A 49 0.861 -0.130 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 49 2.330 1.021 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.114 1.051 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.313 2.075 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.927 3.371 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.160 2.085 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.419 5.036 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.658 3.760 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 49 0.140 5.318 -0.494 1.00 0.00 H new ATOM 402 N SER A 50 3.682 -0.712 -6.744 1.00 0.00 N ATOM 403 CA SER A 50 4.634 -1.536 -7.555 1.00 0.00 C ATOM 404 C SER A 50 5.988 -0.848 -7.971 1.00 0.00 C ATOM 405 O SER A 50 6.970 -1.558 -8.204 1.00 0.00 O ATOM 406 CB SER A 50 3.863 -2.075 -8.787 1.00 0.00 C ATOM 407 OG SER A 50 3.429 -1.014 -9.645 1.00 0.00 O ATOM 0 H SER A 50 2.864 -0.385 -7.259 1.00 0.00 H new ATOM 0 HA SER A 50 4.978 -2.340 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.503 -2.757 -9.347 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.999 -2.650 -8.453 1.00 0.00 H new ATOM 0 HG SER A 50 2.948 -1.389 -10.412 1.00 0.00 H new ATOM 408 N SER A 51 6.054 0.501 -8.061 1.00 0.00 N ATOM 409 CA SER A 51 7.325 1.220 -8.392 1.00 0.00 C ATOM 410 C SER A 51 7.741 2.239 -7.276 1.00 0.00 C ATOM 411 O SER A 51 6.905 2.754 -6.520 1.00 0.00 O ATOM 412 CB SER A 51 7.168 1.911 -9.773 1.00 0.00 C ATOM 413 OG SER A 51 6.258 3.012 -9.724 1.00 0.00 O ATOM 0 H SER A 51 5.254 1.116 -7.912 1.00 0.00 H new ATOM 0 HA SER A 51 8.135 0.492 -8.443 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.142 2.261 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.816 1.183 -10.504 1.00 0.00 H new ATOM 0 HG SER A 51 5.345 2.677 -9.603 1.00 0.00 H new ATOM 414 N TYR A 52 9.054 2.563 -7.215 1.00 0.00 N ATOM 415 CA TYR A 52 9.582 3.577 -6.243 1.00 0.00 C ATOM 416 C TYR A 52 8.960 5.017 -6.399 1.00 0.00 C ATOM 417 O TYR A 52 8.624 5.646 -5.394 1.00 0.00 O ATOM 418 CB TYR A 52 11.139 3.577 -6.340 1.00 0.00 C ATOM 419 CG TYR A 52 11.854 4.367 -5.220 1.00 0.00 C ATOM 420 CD1 TYR A 52 12.084 5.742 -5.360 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.293 3.714 -4.063 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.726 6.454 -4.349 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.944 4.428 -3.059 1.00 0.00 C ATOM 424 CZ TYR A 52 13.153 5.797 -3.198 1.00 0.00 C ATOM 425 OH TYR A 52 13.786 6.494 -2.206 1.00 0.00 O ATOM 0 H TYR A 52 9.767 2.149 -7.815 1.00 0.00 H new ATOM 0 HA TYR A 52 9.270 3.282 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.491 2.546 -6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.430 3.995 -7.304 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.762 6.252 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.127 2.653 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.892 7.516 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.287 3.918 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 52 14.016 5.885 -1.474 1.00 0.00 H new ATOM 426 N ARG A 53 8.775 5.525 -7.637 1.00 0.00 N ATOM 427 CA ARG A 53 8.036 6.811 -7.860 1.00 0.00 C ATOM 428 C ARG A 53 6.560 6.857 -7.307 1.00 0.00 C ATOM 429 O ARG A 53 6.148 7.888 -6.770 1.00 0.00 O ATOM 430 CB ARG A 53 8.119 7.221 -9.362 1.00 0.00 C ATOM 431 CG ARG A 53 7.399 6.281 -10.369 1.00 0.00 C ATOM 432 CD ARG A 53 7.447 6.818 -11.814 1.00 0.00 C ATOM 433 NE ARG A 53 6.740 5.895 -12.756 1.00 0.00 N ATOM 434 CZ ARG A 53 5.413 5.885 -12.954 1.00 0.00 C ATOM 435 NH1 ARG A 53 4.586 6.659 -12.293 1.00 0.00 N ATOM 436 NH2 ARG A 53 4.923 5.067 -13.840 1.00 0.00 N ATOM 0 H ARG A 53 9.116 5.082 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 53 8.549 7.554 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.701 8.222 -9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.170 7.284 -9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.862 5.295 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.360 6.156 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.987 7.805 -11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.484 6.937 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 53 7.305 5.229 -13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.944 7.307 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.584 6.613 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.545 4.452 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.917 5.041 -14.009 1.00 0.00 H new ATOM 437 N ASP A 54 5.792 5.749 -7.417 1.00 0.00 N ATOM 438 CA ASP A 54 4.398 5.684 -6.873 1.00 0.00 C ATOM 439 C ASP A 54 4.317 5.754 -5.303 1.00 0.00 C ATOM 440 O ASP A 54 3.476 6.480 -4.768 1.00 0.00 O ATOM 441 CB ASP A 54 3.691 4.404 -7.405 1.00 0.00 C ATOM 442 CG ASP A 54 3.484 4.323 -8.923 1.00 0.00 C ATOM 443 OD1 ASP A 54 3.305 5.294 -9.652 1.00 0.00 O ATOM 444 OD2 ASP A 54 3.508 3.033 -9.369 1.00 0.00 O ATOM 0 H ASP A 54 6.102 4.890 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 54 3.882 6.576 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.273 3.537 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.717 4.325 -6.922 1.00 0.00 H new ATOM 445 N CYS A 55 5.195 5.035 -4.566 1.00 0.00 N ATOM 446 CA CYS A 55 5.337 5.259 -3.093 1.00 0.00 C ATOM 447 C CYS A 55 5.927 6.662 -2.698 1.00 0.00 C ATOM 448 O CYS A 55 5.501 7.246 -1.700 1.00 0.00 O ATOM 449 CB CYS A 55 6.191 4.117 -2.506 1.00 0.00 C ATOM 450 SG CYS A 55 7.894 4.280 -3.066 1.00 0.00 S ATOM 0 H CYS A 55 5.805 4.311 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 55 4.333 5.257 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.152 4.144 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.787 3.153 -2.815 1.00 0.00 H new ATOM 451 N PHE A 56 6.894 7.203 -3.472 1.00 0.00 N ATOM 452 CA PHE A 56 7.490 8.538 -3.186 1.00 0.00 C ATOM 453 C PHE A 56 6.484 9.731 -3.377 1.00 0.00 C ATOM 454 O PHE A 56 6.352 10.550 -2.467 1.00 0.00 O ATOM 455 CB PHE A 56 8.786 8.677 -4.038 1.00 0.00 C ATOM 456 CG PHE A 56 9.770 9.730 -3.501 1.00 0.00 C ATOM 457 CD1 PHE A 56 9.611 11.084 -3.812 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.843 9.330 -2.697 1.00 0.00 C ATOM 459 CE1 PHE A 56 10.506 12.027 -3.314 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.741 10.275 -2.204 1.00 0.00 C ATOM 461 CZ PHE A 56 11.569 11.622 -2.510 1.00 0.00 C ATOM 0 H PHE A 56 7.280 6.743 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 56 7.745 8.597 -2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.289 7.711 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.512 8.937 -5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.791 11.399 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.976 8.285 -2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.376 13.073 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.569 9.963 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.261 12.355 -2.123 1.00 0.00 H new ATOM 462 N ASN A 57 5.765 9.829 -4.521 1.00 0.00 N ATOM 463 CA ASN A 57 4.722 10.894 -4.695 1.00 0.00 C ATOM 464 C ASN A 57 3.471 10.785 -3.744 1.00 0.00 C ATOM 465 O ASN A 57 2.996 11.810 -3.247 1.00 0.00 O ATOM 466 CB ASN A 57 4.356 11.058 -6.204 1.00 0.00 C ATOM 467 CG ASN A 57 3.684 9.874 -6.934 1.00 0.00 C ATOM 468 OD1 ASN A 57 3.117 8.956 -6.357 1.00 0.00 O ATOM 469 ND2 ASN A 57 3.716 9.887 -8.245 1.00 0.00 N ATOM 0 H ASN A 57 5.875 9.207 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 57 5.182 11.822 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.695 11.920 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.272 11.302 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.271 9.137 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.186 10.647 -8.736 1.00 0.00 H new ATOM 470 N ALA A 58 2.956 9.568 -3.477 1.00 0.00 N ATOM 471 CA ALA A 58 1.799 9.385 -2.558 1.00 0.00 C ATOM 472 C ALA A 58 2.148 9.411 -1.027 1.00 0.00 C ATOM 473 O ALA A 58 1.386 9.988 -0.245 1.00 0.00 O ATOM 474 CB ALA A 58 1.118 8.067 -2.957 1.00 0.00 C ATOM 0 H ALA A 58 3.314 8.701 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 58 1.136 10.242 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.260 7.890 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.783 8.129 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.827 7.245 -2.854 1.00 0.00 H new ATOM 475 N CYS A 59 3.259 8.774 -0.589 1.00 0.00 N ATOM 476 CA CYS A 59 3.641 8.759 0.852 1.00 0.00 C ATOM 477 C CYS A 59 4.657 9.884 1.252 1.00 0.00 C ATOM 478 O CYS A 59 4.388 10.643 2.191 1.00 0.00 O ATOM 479 CB CYS A 59 4.134 7.352 1.242 1.00 0.00 C ATOM 480 SG CYS A 59 2.924 6.085 0.794 1.00 0.00 S ATOM 0 H CYS A 59 3.902 8.269 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 59 2.746 8.992 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.081 7.145 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.323 7.315 2.315 1.00 0.00 H new ATOM 481 N ILE A 60 5.811 10.027 0.556 1.00 0.00 N ATOM 482 CA ILE A 60 6.788 11.131 0.860 1.00 0.00 C ATOM 483 C ILE A 60 6.215 12.488 0.317 1.00 0.00 C ATOM 484 O ILE A 60 6.695 13.124 -0.621 1.00 0.00 O ATOM 485 CB ILE A 60 8.240 10.776 0.343 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.807 9.416 0.871 1.00 0.00 C ATOM 487 CG2 ILE A 60 9.280 11.896 0.630 1.00 0.00 C ATOM 488 CD1 ILE A 60 9.046 9.332 2.394 1.00 0.00 C ATOM 489 OXT ILE A 60 5.107 12.890 1.021 1.00 0.00 O ATOM 0 H ILE A 60 6.095 9.412 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 60 6.906 11.246 1.937 1.00 0.00 H new ATOM 0 HB ILE A 60 8.097 10.680 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.117 8.622 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.750 9.216 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.256 11.592 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.969 12.816 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.345 12.066 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.439 8.347 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.763 10.096 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.105 9.493 2.919 1.00 0.00 H new TER 490 ILE A 60