USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 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 34 SER OG : rot -78:sc= 0.884 USER MOD Set 1.2: A 41 TYR OH : rot 0:sc= -1.82! USER MOD Set 2.1: A 15 SER OG : rot 137:sc= -0.495 USER MOD Set 2.2: A 18 HIS : no HE2:sc= -8.65! C(o=-9.1!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.26 (180deg=-0.573) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc=-0.00354 (180deg=-0.158) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 6 TYR OH : rot 114:sc= -0.0534 USER MOD Single : A 11 ASN : amide:sc= -4.3! C(o=-4.3!,f=-1.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -93:sc= 0.96 USER MOD Single : A 19 TYR OH : rot -118:sc= -1.42 USER MOD Single : A 23 SER OG : rot -66:sc= -2.07! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0352) USER MOD Single : A 36 GLN : amide:sc= -4! C(o=-4!,f=-3.3!) USER MOD Single : A 38 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 39 ASN : amide:sc= -6.72! C(o=-6.7!,f=-1.9!) USER MOD Single : A 42 MET CE :methyl -156:sc= -0.109 (180deg=-0.71) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.452 USER MOD Single : A 47 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -13:sc= 0.72 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.565) USER MOD Single : A 54 ASN : amide:sc= -3.02! C(o=-3!,f=-5.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 140:sc= 0.628 USER MOD Single : A 60 GLN : amide:sc= -6! C(o=-6!,f=-0.81!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 26:sc=-0.00135 USER MOD Single : A 68 TYR OH : rot -49:sc= -1.3! USER MOD Single : A 72 MET CE :methyl -119:sc= -1.38 (180deg=-1.85) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= -0.0937 (180deg=-1.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.146 -22.552 -20.415 1.00 0.00 N ATOM 2 CA MET A 1 -10.586 -21.260 -20.993 1.00 0.00 C ATOM 3 C MET A 1 -9.872 -20.107 -20.301 1.00 0.00 C ATOM 4 O MET A 1 -9.933 -18.981 -20.750 1.00 0.00 O ATOM 5 CB MET A 1 -12.101 -21.087 -20.793 1.00 0.00 C ATOM 6 CG MET A 1 -12.844 -22.047 -21.725 1.00 0.00 C ATOM 7 SD MET A 1 -14.637 -22.178 -21.524 1.00 0.00 S ATOM 8 CE MET A 1 -15.090 -20.805 -22.614 1.00 0.00 C ATOM 0 H1 MET A 1 -10.417 -23.328 -21.053 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.113 -22.546 -20.297 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.599 -22.690 -19.489 1.00 0.00 H new ATOM 0 HA MET A 1 -10.347 -21.258 -22.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.368 -21.288 -19.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.393 -20.058 -21.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.641 -21.744 -22.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.417 -23.041 -21.595 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.175 -20.703 -22.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.648 -19.882 -22.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.721 -21.002 -23.620 1.00 0.00 H new ATOM 20 N LYS A 2 -9.206 -20.413 -19.218 1.00 0.00 N ATOM 21 CA LYS A 2 -8.477 -19.350 -18.475 1.00 0.00 C ATOM 22 C LYS A 2 -9.393 -18.167 -18.175 1.00 0.00 C ATOM 23 O LYS A 2 -9.702 -17.378 -19.044 1.00 0.00 O ATOM 24 CB LYS A 2 -7.296 -18.864 -19.347 1.00 0.00 C ATOM 25 CG LYS A 2 -6.158 -19.913 -19.317 1.00 0.00 C ATOM 26 CD LYS A 2 -5.261 -19.679 -18.089 1.00 0.00 C ATOM 27 CE LYS A 2 -4.066 -20.632 -18.154 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.094 -20.180 -19.188 1.00 0.00 N ATOM 0 H LYS A 2 -9.137 -21.349 -18.820 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.121 -19.759 -17.530 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.630 -18.705 -20.372 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.930 -17.906 -18.979 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.579 -20.918 -19.284 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.565 -19.845 -20.229 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.917 -18.645 -18.066 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.827 -19.847 -17.173 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.576 -20.677 -17.181 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.410 -21.640 -18.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.194 -20.685 -19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.475 -20.382 -20.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.934 -19.157 -19.090 1.00 0.00 H new ATOM 42 N GLU A 3 -9.807 -18.063 -16.936 1.00 0.00 N ATOM 43 CA GLU A 3 -10.706 -16.938 -16.546 1.00 0.00 C ATOM 44 C GLU A 3 -10.448 -16.520 -15.105 1.00 0.00 C ATOM 45 O GLU A 3 -11.190 -16.874 -14.211 1.00 0.00 O ATOM 46 CB GLU A 3 -12.161 -17.420 -16.667 1.00 0.00 C ATOM 47 CG GLU A 3 -13.102 -16.218 -16.552 1.00 0.00 C ATOM 48 CD GLU A 3 -12.993 -15.367 -17.820 1.00 0.00 C ATOM 49 OE1 GLU A 3 -13.123 -15.958 -18.880 1.00 0.00 O ATOM 50 OE2 GLU A 3 -12.787 -14.177 -17.657 1.00 0.00 O ATOM 0 H GLU A 3 -9.562 -18.706 -16.183 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.519 -16.085 -17.198 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.311 -17.924 -17.622 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.382 -18.146 -15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.129 -16.557 -16.415 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.844 -15.622 -15.677 1.00 0.00 H new ATOM 57 N THR A 4 -9.393 -15.767 -14.904 1.00 0.00 N ATOM 58 CA THR A 4 -9.062 -15.308 -13.522 1.00 0.00 C ATOM 59 C THR A 4 -8.419 -13.938 -13.547 1.00 0.00 C ATOM 60 O THR A 4 -7.468 -13.710 -14.264 1.00 0.00 O ATOM 61 CB THR A 4 -8.056 -16.293 -12.899 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.685 -17.557 -12.949 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.866 -16.009 -11.396 1.00 0.00 C ATOM 0 H THR A 4 -8.752 -15.453 -15.633 1.00 0.00 H new ATOM 0 HA THR A 4 -9.985 -15.263 -12.943 1.00 0.00 H new ATOM 0 HB THR A 4 -7.102 -16.224 -13.422 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.090 -18.234 -12.565 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.151 -16.718 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.491 -14.994 -11.262 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.822 -16.113 -10.882 1.00 0.00 H new ATOM 71 N ARG A 5 -8.965 -13.038 -12.775 1.00 0.00 N ATOM 72 CA ARG A 5 -8.403 -11.657 -12.725 1.00 0.00 C ATOM 73 C ARG A 5 -7.535 -11.542 -11.486 1.00 0.00 C ATOM 74 O ARG A 5 -7.497 -12.447 -10.677 1.00 0.00 O ATOM 75 CB ARG A 5 -9.573 -10.633 -12.664 1.00 0.00 C ATOM 76 CG ARG A 5 -10.816 -11.205 -13.408 1.00 0.00 C ATOM 77 CD ARG A 5 -11.722 -11.982 -12.418 1.00 0.00 C ATOM 78 NE ARG A 5 -12.365 -13.116 -13.140 1.00 0.00 N ATOM 79 CZ ARG A 5 -13.424 -13.683 -12.629 1.00 0.00 C ATOM 80 NH1 ARG A 5 -14.462 -12.943 -12.351 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.409 -14.969 -12.411 1.00 0.00 N ATOM 0 H ARG A 5 -9.775 -13.199 -12.177 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.803 -11.450 -13.611 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.826 -10.418 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.268 -9.691 -13.119 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.380 -10.393 -13.867 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.495 -11.865 -14.213 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.132 -12.354 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.482 -11.320 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.981 -13.446 -14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.437 -11.940 -12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.299 -13.368 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.578 -15.515 -12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.228 -15.428 -12.012 1.00 0.00 H new ATOM 95 N TYR A 6 -6.850 -10.446 -11.343 1.00 0.00 N ATOM 96 CA TYR A 6 -5.975 -10.292 -10.138 1.00 0.00 C ATOM 97 C TYR A 6 -5.839 -8.827 -9.739 1.00 0.00 C ATOM 98 O TYR A 6 -6.369 -7.957 -10.400 1.00 0.00 O ATOM 99 CB TYR A 6 -4.575 -10.863 -10.509 1.00 0.00 C ATOM 100 CG TYR A 6 -4.748 -12.019 -11.514 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.945 -13.315 -11.074 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.720 -11.775 -12.874 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.106 -14.344 -11.980 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.879 -12.807 -13.775 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.072 -14.098 -13.334 1.00 0.00 C ATOM 106 OH TYR A 6 -5.228 -15.128 -14.237 1.00 0.00 O ATOM 0 H TYR A 6 -6.852 -9.659 -11.992 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.412 -10.824 -9.293 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.953 -10.080 -10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.065 -11.217 -9.613 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.973 -13.524 -10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.572 -10.768 -13.234 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.260 -15.352 -11.623 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.852 -12.602 -14.835 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.067 -15.008 -14.729 1.00 0.00 H new ATOM 116 N CYS A 7 -5.122 -8.563 -8.652 1.00 0.00 N ATOM 117 CA CYS A 7 -4.963 -7.147 -8.229 1.00 0.00 C ATOM 118 C CYS A 7 -4.514 -6.366 -9.409 1.00 0.00 C ATOM 119 O CYS A 7 -3.591 -6.765 -10.091 1.00 0.00 O ATOM 120 CB CYS A 7 -3.896 -7.051 -7.111 1.00 0.00 C ATOM 121 SG CYS A 7 -3.167 -5.456 -6.758 1.00 0.00 S ATOM 0 H CYS A 7 -4.659 -9.257 -8.065 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.907 -6.758 -7.848 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.347 -7.420 -6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.087 -7.736 -7.366 1.00 0.00 H new ATOM 126 N ALA A 8 -5.167 -5.280 -9.663 1.00 0.00 N ATOM 127 CA ALA A 8 -4.769 -4.474 -10.819 1.00 0.00 C ATOM 128 C ALA A 8 -3.240 -4.381 -10.946 1.00 0.00 C ATOM 129 O ALA A 8 -2.732 -4.410 -12.042 1.00 0.00 O ATOM 130 CB ALA A 8 -5.365 -3.057 -10.683 1.00 0.00 C ATOM 0 H ALA A 8 -5.953 -4.922 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.150 -4.958 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.070 -2.454 -11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.452 -3.122 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.994 -2.592 -9.770 1.00 0.00 H new ATOM 136 N VAL A 9 -2.520 -4.345 -9.813 1.00 0.00 N ATOM 137 CA VAL A 9 -1.016 -4.249 -9.927 1.00 0.00 C ATOM 138 C VAL A 9 -0.234 -4.508 -8.617 1.00 0.00 C ATOM 139 O VAL A 9 0.884 -4.983 -8.662 1.00 0.00 O ATOM 140 CB VAL A 9 -0.687 -2.753 -10.269 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.836 -2.479 -10.035 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.052 -2.424 -11.733 1.00 0.00 C ATOM 0 H VAL A 9 -2.897 -4.377 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.724 -5.001 -10.660 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.281 -2.116 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.060 -1.439 -10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.085 -2.673 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.426 -3.133 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.813 -1.381 -11.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.483 -3.068 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.118 -2.590 -11.888 1.00 0.00 H new ATOM 152 N CYS A 10 -0.819 -4.200 -7.499 1.00 0.00 N ATOM 153 CA CYS A 10 -0.062 -4.416 -6.184 1.00 0.00 C ATOM 154 C CYS A 10 -0.196 -5.785 -5.448 1.00 0.00 C ATOM 155 O CYS A 10 0.142 -5.853 -4.283 1.00 0.00 O ATOM 156 CB CYS A 10 -0.422 -3.227 -5.202 1.00 0.00 C ATOM 157 SG CYS A 10 -2.127 -2.572 -5.175 1.00 0.00 S ATOM 0 H CYS A 10 -1.760 -3.817 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 10 0.985 -4.434 -6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.181 -3.554 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.244 -2.396 -5.436 1.00 0.00 H new ATOM 162 N ASN A 11 -0.666 -6.844 -6.074 1.00 0.00 N ATOM 163 CA ASN A 11 -0.746 -8.108 -5.289 1.00 0.00 C ATOM 164 C ASN A 11 -0.993 -9.321 -6.179 1.00 0.00 C ATOM 165 O ASN A 11 -0.076 -9.830 -6.793 1.00 0.00 O ATOM 166 CB ASN A 11 -1.853 -7.980 -4.220 1.00 0.00 C ATOM 167 CG ASN A 11 -2.191 -9.359 -3.627 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.455 -9.899 -2.826 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.291 -9.954 -3.997 1.00 0.00 N ATOM 0 H ASN A 11 -0.981 -6.885 -7.043 1.00 0.00 H new ATOM 0 HA ASN A 11 0.216 -8.266 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.525 -7.307 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.746 -7.539 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.530 -10.869 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.913 -9.505 -4.669 1.00 0.00 H new ATOM 176 N ASP A 12 -2.219 -9.741 -6.256 1.00 0.00 N ATOM 177 CA ASP A 12 -2.546 -10.930 -7.102 1.00 0.00 C ATOM 178 C ASP A 12 -4.038 -11.227 -7.051 1.00 0.00 C ATOM 179 O ASP A 12 -4.837 -10.331 -6.898 1.00 0.00 O ATOM 180 CB ASP A 12 -1.778 -12.179 -6.551 1.00 0.00 C ATOM 181 CG ASP A 12 -1.506 -13.162 -7.695 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.132 -12.679 -8.751 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.682 -14.341 -7.446 1.00 0.00 O ATOM 0 H ASP A 12 -3.012 -9.318 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.253 -10.717 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.838 -11.868 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.366 -12.665 -5.772 1.00 0.00 H new ATOM 188 N TYR A 13 -4.382 -12.503 -7.152 1.00 0.00 N ATOM 189 CA TYR A 13 -5.827 -12.895 -7.116 1.00 0.00 C ATOM 190 C TYR A 13 -6.649 -11.972 -6.234 1.00 0.00 C ATOM 191 O TYR A 13 -6.638 -12.072 -5.023 1.00 0.00 O ATOM 192 CB TYR A 13 -5.963 -14.303 -6.566 1.00 0.00 C ATOM 193 CG TYR A 13 -5.057 -15.271 -7.341 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.450 -15.789 -8.566 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.848 -15.673 -6.806 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.650 -16.694 -9.232 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.049 -16.577 -7.477 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.444 -17.094 -8.694 1.00 0.00 C ATOM 199 OH TYR A 13 -2.643 -17.996 -9.364 1.00 0.00 O ATOM 0 H TYR A 13 -3.725 -13.276 -7.257 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.198 -12.830 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.698 -14.314 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.000 -14.630 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.389 -15.482 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.525 -15.277 -5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.970 -17.093 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.107 -16.882 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.831 -18.164 -8.841 1.00 0.00 H new ATOM 209 N ALA A 14 -7.337 -11.100 -6.871 1.00 0.00 N ATOM 210 CA ALA A 14 -8.182 -10.135 -6.138 1.00 0.00 C ATOM 211 C ALA A 14 -9.333 -10.848 -5.451 1.00 0.00 C ATOM 212 O ALA A 14 -9.908 -11.772 -5.991 1.00 0.00 O ATOM 213 CB ALA A 14 -8.738 -9.114 -7.160 1.00 0.00 C ATOM 0 H ALA A 14 -7.356 -11.006 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.590 -9.632 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.367 -8.388 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.910 -8.597 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.329 -9.637 -7.912 1.00 0.00 H new ATOM 219 N SER A 15 -9.648 -10.406 -4.272 1.00 0.00 N ATOM 220 CA SER A 15 -10.764 -11.055 -3.537 1.00 0.00 C ATOM 221 C SER A 15 -12.094 -10.811 -4.256 1.00 0.00 C ATOM 222 O SER A 15 -13.082 -11.460 -3.974 1.00 0.00 O ATOM 223 CB SER A 15 -10.826 -10.462 -2.109 1.00 0.00 C ATOM 224 OG SER A 15 -10.335 -9.141 -2.257 1.00 0.00 O ATOM 0 H SER A 15 -9.189 -9.634 -3.789 1.00 0.00 H new ATOM 0 HA SER A 15 -10.591 -12.130 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.844 -10.467 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.216 -11.037 -1.412 1.00 0.00 H new ATOM 0 HG SER A 15 -10.895 -8.524 -1.742 1.00 0.00 H new ATOM 230 N GLY A 16 -12.094 -9.873 -5.176 1.00 0.00 N ATOM 231 CA GLY A 16 -13.356 -9.573 -5.928 1.00 0.00 C ATOM 232 C GLY A 16 -13.380 -8.114 -6.386 1.00 0.00 C ATOM 233 O GLY A 16 -12.381 -7.425 -6.340 1.00 0.00 O ATOM 0 H GLY A 16 -11.285 -9.309 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.435 -10.232 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.219 -9.774 -5.294 1.00 0.00 H new ATOM 237 N TYR A 17 -14.532 -7.679 -6.831 1.00 0.00 N ATOM 238 CA TYR A 17 -14.667 -6.269 -7.303 1.00 0.00 C ATOM 239 C TYR A 17 -15.055 -5.354 -6.131 1.00 0.00 C ATOM 240 O TYR A 17 -16.154 -5.432 -5.620 1.00 0.00 O ATOM 241 CB TYR A 17 -15.794 -6.237 -8.400 1.00 0.00 C ATOM 242 CG TYR A 17 -15.288 -5.522 -9.672 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.151 -5.964 -10.325 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.971 -4.435 -10.185 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.708 -5.328 -11.469 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.528 -3.803 -11.328 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.394 -4.243 -11.978 1.00 0.00 C ATOM 248 OH TYR A 17 -13.952 -3.610 -13.123 1.00 0.00 O ATOM 0 H TYR A 17 -15.383 -8.239 -6.887 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.721 -5.915 -7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -16.101 -7.254 -8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.673 -5.723 -8.012 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.606 -6.812 -9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.860 -4.077 -9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.819 -5.682 -11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.074 -2.956 -11.717 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.363 -2.865 -12.879 1.00 0.00 H new ATOM 258 N HIS A 18 -14.139 -4.499 -5.731 1.00 0.00 N ATOM 259 CA HIS A 18 -14.433 -3.565 -4.589 1.00 0.00 C ATOM 260 C HIS A 18 -13.871 -2.180 -4.886 1.00 0.00 C ATOM 261 O HIS A 18 -13.762 -1.351 -4.006 1.00 0.00 O ATOM 262 CB HIS A 18 -13.766 -4.117 -3.272 1.00 0.00 C ATOM 263 CG HIS A 18 -13.284 -5.553 -3.481 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.090 -5.894 -3.652 1.00 0.00 N ATOM 265 CD2 HIS A 18 -14.010 -6.728 -3.496 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.986 -7.153 -3.771 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.162 -7.773 -3.685 1.00 0.00 N ATOM 0 H HIS A 18 -13.209 -4.407 -6.140 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.513 -3.497 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.926 -3.482 -2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.483 -4.083 -2.452 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.305 -5.244 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.081 -6.804 -3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.048 -7.665 -3.925 1.00 0.00 H new ATOM 275 N TYR A 19 -13.528 -1.954 -6.123 1.00 0.00 N ATOM 276 CA TYR A 19 -12.971 -0.632 -6.487 1.00 0.00 C ATOM 277 C TYR A 19 -13.159 -0.381 -7.981 1.00 0.00 C ATOM 278 O TYR A 19 -12.493 0.453 -8.561 1.00 0.00 O ATOM 279 CB TYR A 19 -11.451 -0.670 -6.176 1.00 0.00 C ATOM 280 CG TYR A 19 -11.218 -0.301 -4.723 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.138 1.010 -4.351 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.158 -1.277 -3.760 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.028 1.350 -3.020 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.031 -0.942 -2.436 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.970 0.375 -2.053 1.00 0.00 C ATOM 286 OH TYR A 19 -10.847 0.714 -0.724 1.00 0.00 O ATOM 0 H TYR A 19 -13.610 -2.624 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.474 0.158 -5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.053 -1.665 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.919 0.023 -6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.161 1.784 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.211 -2.317 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.987 2.391 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.979 -1.720 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.011 0.346 -0.369 1.00 0.00 H new ATOM 296 N GLY A 20 -14.075 -1.098 -8.572 1.00 0.00 N ATOM 297 CA GLY A 20 -14.316 -0.915 -10.031 1.00 0.00 C ATOM 298 C GLY A 20 -13.271 -1.722 -10.796 1.00 0.00 C ATOM 299 O GLY A 20 -13.153 -1.630 -12.001 1.00 0.00 O ATOM 0 H GLY A 20 -14.661 -1.796 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.320 -1.248 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.250 0.140 -10.297 1.00 0.00 H new ATOM 303 N VAL A 21 -12.531 -2.502 -10.051 1.00 0.00 N ATOM 304 CA VAL A 21 -11.471 -3.348 -10.657 1.00 0.00 C ATOM 305 C VAL A 21 -11.272 -4.583 -9.818 1.00 0.00 C ATOM 306 O VAL A 21 -11.541 -4.572 -8.636 1.00 0.00 O ATOM 307 CB VAL A 21 -10.104 -2.565 -10.615 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.946 -1.647 -11.838 1.00 0.00 C ATOM 309 CG2 VAL A 21 -10.055 -1.722 -9.330 1.00 0.00 C ATOM 0 H VAL A 21 -12.620 -2.587 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.765 -3.601 -11.676 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.288 -3.287 -10.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.993 -1.122 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.974 -2.246 -12.748 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.759 -0.922 -11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.113 -1.175 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.885 -1.016 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.132 -2.377 -8.462 1.00 0.00 H new ATOM 319 N TRP A 22 -10.824 -5.634 -10.432 1.00 0.00 N ATOM 320 CA TRP A 22 -10.605 -6.854 -9.632 1.00 0.00 C ATOM 321 C TRP A 22 -9.424 -6.520 -8.784 1.00 0.00 C ATOM 322 O TRP A 22 -8.300 -6.865 -9.092 1.00 0.00 O ATOM 323 CB TRP A 22 -10.274 -8.031 -10.548 1.00 0.00 C ATOM 324 CG TRP A 22 -11.441 -8.266 -11.493 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.462 -7.856 -12.741 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.559 -8.864 -11.167 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.676 -8.232 -13.179 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.440 -8.887 -12.232 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.922 -9.436 -9.962 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.678 -9.479 -12.092 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.161 -10.029 -9.825 1.00 0.00 C ATOM 332 CH2 TRP A 22 -15.039 -10.050 -10.889 1.00 0.00 C ATOM 0 H TRP A 22 -10.606 -5.700 -11.426 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.480 -7.139 -9.048 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.366 -7.823 -11.115 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.082 -8.926 -9.956 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.687 -7.339 -13.287 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.004 -8.050 -14.127 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.236 -9.419 -9.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.365 -9.496 -12.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.443 -10.477 -8.884 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -16.009 -10.513 -10.780 1.00 0.00 H new ATOM 343 N SER A 23 -9.705 -5.826 -7.722 1.00 0.00 N ATOM 344 CA SER A 23 -8.638 -5.407 -6.798 1.00 0.00 C ATOM 345 C SER A 23 -8.430 -6.319 -5.628 1.00 0.00 C ATOM 346 O SER A 23 -9.262 -7.096 -5.239 1.00 0.00 O ATOM 347 CB SER A 23 -9.012 -3.983 -6.272 1.00 0.00 C ATOM 348 OG SER A 23 -10.369 -3.824 -6.651 1.00 0.00 O ATOM 0 H SER A 23 -10.644 -5.530 -7.457 1.00 0.00 H new ATOM 0 HA SER A 23 -7.701 -5.427 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.888 -3.911 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.380 -3.214 -6.717 1.00 0.00 H new ATOM 0 HG SER A 23 -10.434 -3.790 -7.628 1.00 0.00 H new ATOM 354 N CYS A 24 -7.294 -6.153 -5.115 1.00 0.00 N ATOM 355 CA CYS A 24 -6.824 -6.900 -3.965 1.00 0.00 C ATOM 356 C CYS A 24 -7.827 -6.915 -2.815 1.00 0.00 C ATOM 357 O CYS A 24 -8.965 -6.510 -2.947 1.00 0.00 O ATOM 358 CB CYS A 24 -5.585 -6.098 -3.535 1.00 0.00 C ATOM 359 SG CYS A 24 -5.551 -4.365 -4.119 1.00 0.00 S ATOM 0 H CYS A 24 -6.616 -5.479 -5.470 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.645 -7.947 -4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.528 -6.101 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.694 -6.608 -3.902 1.00 0.00 H new ATOM 364 N GLU A 25 -7.341 -7.400 -1.700 1.00 0.00 N ATOM 365 CA GLU A 25 -8.159 -7.492 -0.474 1.00 0.00 C ATOM 366 C GLU A 25 -7.428 -6.743 0.630 1.00 0.00 C ATOM 367 O GLU A 25 -8.031 -6.166 1.513 1.00 0.00 O ATOM 368 CB GLU A 25 -8.291 -8.984 -0.088 1.00 0.00 C ATOM 369 CG GLU A 25 -9.516 -9.168 0.811 1.00 0.00 C ATOM 370 CD GLU A 25 -9.327 -8.365 2.099 1.00 0.00 C ATOM 371 OE1 GLU A 25 -8.393 -8.695 2.812 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.125 -7.464 2.297 1.00 0.00 O ATOM 0 H GLU A 25 -6.386 -7.742 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.150 -7.064 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.389 -9.596 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.392 -9.318 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.415 -8.836 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.654 -10.224 1.045 1.00 0.00 H new ATOM 379 N GLY A 26 -6.115 -6.771 0.539 1.00 0.00 N ATOM 380 CA GLY A 26 -5.269 -6.075 1.553 1.00 0.00 C ATOM 381 C GLY A 26 -4.872 -4.702 1.030 1.00 0.00 C ATOM 382 O GLY A 26 -5.153 -3.704 1.661 1.00 0.00 O ATOM 0 H GLY A 26 -5.597 -7.249 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.816 -5.974 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.378 -6.666 1.766 1.00 0.00 H new ATOM 386 N CYS A 27 -4.220 -4.651 -0.124 1.00 0.00 N ATOM 387 CA CYS A 27 -3.841 -3.315 -0.628 1.00 0.00 C ATOM 388 C CYS A 27 -5.121 -2.456 -0.716 1.00 0.00 C ATOM 389 O CYS A 27 -5.071 -1.251 -0.633 1.00 0.00 O ATOM 390 CB CYS A 27 -3.130 -3.414 -2.036 1.00 0.00 C ATOM 391 SG CYS A 27 -2.580 -5.042 -2.660 1.00 0.00 S ATOM 0 H CYS A 27 -3.953 -5.448 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.127 -2.854 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.812 -2.995 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.255 -2.764 -2.006 1.00 0.00 H new ATOM 396 N LYS A 28 -6.250 -3.122 -0.898 1.00 0.00 N ATOM 397 CA LYS A 28 -7.545 -2.380 -0.987 1.00 0.00 C ATOM 398 C LYS A 28 -7.676 -1.547 0.285 1.00 0.00 C ATOM 399 O LYS A 28 -8.047 -0.391 0.252 1.00 0.00 O ATOM 400 CB LYS A 28 -8.712 -3.463 -1.098 1.00 0.00 C ATOM 401 CG LYS A 28 -9.698 -3.408 0.115 1.00 0.00 C ATOM 402 CD LYS A 28 -10.912 -4.288 -0.185 1.00 0.00 C ATOM 403 CE LYS A 28 -11.981 -4.046 0.882 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.207 -4.835 0.576 1.00 0.00 N ATOM 0 H LYS A 28 -6.322 -4.136 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.597 -1.719 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.268 -3.300 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.274 -4.459 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.199 -3.752 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.014 -2.381 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.309 -4.057 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.622 -5.339 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.596 -4.326 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.225 -2.985 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.924 -4.661 1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.582 -4.548 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.972 -5.848 0.556 1.00 0.00 H new ATOM 418 N ALA A 29 -7.359 -2.176 1.384 1.00 0.00 N ATOM 419 CA ALA A 29 -7.441 -1.485 2.686 1.00 0.00 C ATOM 420 C ALA A 29 -6.525 -0.258 2.680 1.00 0.00 C ATOM 421 O ALA A 29 -6.924 0.828 3.048 1.00 0.00 O ATOM 422 CB ALA A 29 -6.981 -2.500 3.788 1.00 0.00 C ATOM 0 H ALA A 29 -7.045 -3.146 1.428 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.459 -1.147 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.029 -2.022 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.637 -3.371 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.957 -2.815 3.588 1.00 0.00 H new ATOM 428 N PHE A 30 -5.315 -0.473 2.259 1.00 0.00 N ATOM 429 CA PHE A 30 -4.337 0.641 2.205 1.00 0.00 C ATOM 430 C PHE A 30 -4.857 1.748 1.325 1.00 0.00 C ATOM 431 O PHE A 30 -4.846 2.908 1.688 1.00 0.00 O ATOM 432 CB PHE A 30 -3.042 0.081 1.568 1.00 0.00 C ATOM 433 CG PHE A 30 -2.076 1.222 1.191 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.274 1.961 0.027 1.00 0.00 C ATOM 435 CD2 PHE A 30 -0.989 1.525 1.997 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.403 2.977 -0.312 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.127 2.545 1.642 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.342 3.261 0.490 1.00 0.00 C ATOM 0 H PHE A 30 -4.960 -1.377 1.948 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.162 1.035 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.553 -0.599 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.291 -0.499 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.114 1.738 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.816 0.963 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.564 3.547 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.718 2.780 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.337 4.056 0.219 1.00 0.00 H new ATOM 448 N PHE A 31 -5.303 1.360 0.186 1.00 0.00 N ATOM 449 CA PHE A 31 -5.837 2.348 -0.766 1.00 0.00 C ATOM 450 C PHE A 31 -6.982 3.162 -0.165 1.00 0.00 C ATOM 451 O PHE A 31 -7.053 4.345 -0.373 1.00 0.00 O ATOM 452 CB PHE A 31 -6.349 1.584 -2.009 1.00 0.00 C ATOM 453 CG PHE A 31 -6.774 2.587 -3.086 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.885 3.511 -3.557 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.070 2.603 -3.565 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.265 4.433 -4.469 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.472 3.546 -4.492 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.561 4.462 -4.950 1.00 0.00 C ATOM 0 H PHE A 31 -5.323 0.392 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.043 3.048 -1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.567 0.930 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.191 0.948 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.867 3.505 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.778 1.869 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.547 5.156 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.491 3.561 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.853 5.201 -5.681 1.00 0.00 H new ATOM 468 N LYS A 32 -7.836 2.516 0.591 1.00 0.00 N ATOM 469 CA LYS A 32 -8.987 3.253 1.211 1.00 0.00 C ATOM 470 C LYS A 32 -8.513 4.287 2.218 1.00 0.00 C ATOM 471 O LYS A 32 -9.136 5.316 2.395 1.00 0.00 O ATOM 472 CB LYS A 32 -9.911 2.208 1.922 1.00 0.00 C ATOM 473 CG LYS A 32 -11.393 2.552 1.654 1.00 0.00 C ATOM 474 CD LYS A 32 -12.304 1.551 2.399 1.00 0.00 C ATOM 475 CE LYS A 32 -12.463 0.271 1.565 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.451 -0.645 2.203 1.00 0.00 N ATOM 0 H LYS A 32 -7.789 1.520 0.806 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.530 3.784 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.689 1.205 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.717 2.207 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.606 3.568 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.597 2.517 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.876 1.311 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.280 2.000 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.791 0.525 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.500 -0.231 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.624 -1.458 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.076 -0.981 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.343 -0.136 2.363 1.00 0.00 H new ATOM 490 N ARG A 33 -7.429 4.003 2.856 1.00 0.00 N ATOM 491 CA ARG A 33 -6.898 4.962 3.863 1.00 0.00 C ATOM 492 C ARG A 33 -5.971 5.974 3.206 1.00 0.00 C ATOM 493 O ARG A 33 -5.631 6.983 3.790 1.00 0.00 O ATOM 494 CB ARG A 33 -6.085 4.143 4.878 1.00 0.00 C ATOM 495 CG ARG A 33 -5.421 5.070 5.917 1.00 0.00 C ATOM 496 CD ARG A 33 -6.474 5.993 6.548 1.00 0.00 C ATOM 497 NE ARG A 33 -5.976 6.464 7.871 1.00 0.00 N ATOM 498 CZ ARG A 33 -6.528 7.506 8.430 1.00 0.00 C ATOM 499 NH1 ARG A 33 -6.370 8.677 7.876 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.222 7.342 9.523 1.00 0.00 N ATOM 0 H ARG A 33 -6.881 3.152 2.731 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.720 5.501 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.736 3.430 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.321 3.565 4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.937 4.474 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.643 5.666 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.669 6.843 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.417 5.461 6.669 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.210 5.976 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.822 8.767 7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.794 9.503 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.326 6.411 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.661 8.145 9.974 1.00 0.00 H new ATOM 514 N SER A 34 -5.598 5.691 1.984 1.00 0.00 N ATOM 515 CA SER A 34 -4.678 6.619 1.242 1.00 0.00 C ATOM 516 C SER A 34 -5.297 7.279 0.000 1.00 0.00 C ATOM 517 O SER A 34 -4.623 8.036 -0.664 1.00 0.00 O ATOM 518 CB SER A 34 -3.530 5.765 0.750 1.00 0.00 C ATOM 519 OG SER A 34 -2.917 5.281 1.937 1.00 0.00 O ATOM 0 H SER A 34 -5.887 4.862 1.466 1.00 0.00 H new ATOM 0 HA SER A 34 -4.404 7.423 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.884 4.947 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.830 6.347 0.150 1.00 0.00 H new ATOM 0 HG SER A 34 -2.366 5.988 2.332 1.00 0.00 H new ATOM 525 N ILE A 35 -6.536 6.984 -0.311 1.00 0.00 N ATOM 526 CA ILE A 35 -7.149 7.635 -1.544 1.00 0.00 C ATOM 527 C ILE A 35 -6.780 9.103 -1.669 1.00 0.00 C ATOM 528 O ILE A 35 -7.002 9.702 -2.701 1.00 0.00 O ATOM 529 CB ILE A 35 -8.697 7.541 -1.537 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.173 6.170 -1.061 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.204 7.774 -3.001 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.882 5.116 -2.141 1.00 0.00 C ATOM 0 H ILE A 35 -7.142 6.346 0.205 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.741 7.082 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.093 8.292 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.669 5.902 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.241 6.200 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.292 7.713 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.889 8.760 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.784 7.011 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.223 4.139 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.406 5.381 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.810 5.079 -2.334 1.00 0.00 H new ATOM 544 N GLN A 36 -6.272 9.686 -0.635 1.00 0.00 N ATOM 545 CA GLN A 36 -5.912 11.101 -0.763 1.00 0.00 C ATOM 546 C GLN A 36 -4.689 11.213 -1.647 1.00 0.00 C ATOM 547 O GLN A 36 -3.808 10.377 -1.602 1.00 0.00 O ATOM 548 CB GLN A 36 -5.575 11.677 0.606 1.00 0.00 C ATOM 549 CG GLN A 36 -6.819 11.630 1.496 1.00 0.00 C ATOM 550 CD GLN A 36 -7.130 10.175 1.855 1.00 0.00 C ATOM 551 OE1 GLN A 36 -6.408 9.539 2.597 1.00 0.00 O ATOM 552 NE2 GLN A 36 -8.193 9.612 1.350 1.00 0.00 N ATOM 0 H GLN A 36 -6.095 9.254 0.272 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.750 11.650 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.765 11.108 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.225 12.704 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.654 12.213 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.667 12.078 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.803 10.141 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.414 8.643 1.579 1.00 0.00 H new ATOM 561 N GLY A 37 -4.650 12.231 -2.428 1.00 0.00 N ATOM 562 CA GLY A 37 -3.478 12.420 -3.337 1.00 0.00 C ATOM 563 C GLY A 37 -2.424 13.237 -2.608 1.00 0.00 C ATOM 564 O GLY A 37 -1.353 12.759 -2.293 1.00 0.00 O ATOM 0 H GLY A 37 -5.371 12.950 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.069 11.454 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.786 12.929 -4.250 1.00 0.00 H new ATOM 568 N HIS A 38 -2.768 14.466 -2.360 1.00 0.00 N ATOM 569 CA HIS A 38 -1.833 15.374 -1.650 1.00 0.00 C ATOM 570 C HIS A 38 -1.663 14.938 -0.195 1.00 0.00 C ATOM 571 O HIS A 38 -2.498 15.214 0.644 1.00 0.00 O ATOM 572 CB HIS A 38 -2.423 16.794 -1.677 1.00 0.00 C ATOM 573 CG HIS A 38 -2.962 17.089 -3.079 1.00 0.00 C ATOM 574 ND1 HIS A 38 -4.154 17.342 -3.345 1.00 0.00 N ATOM 575 CD2 HIS A 38 -2.294 17.138 -4.287 1.00 0.00 C ATOM 576 CE1 HIS A 38 -4.320 17.545 -4.586 1.00 0.00 C ATOM 577 NE2 HIS A 38 -3.183 17.436 -5.275 1.00 0.00 N ATOM 0 H HIS A 38 -3.662 14.883 -2.620 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.861 15.346 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.222 16.883 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.659 17.523 -1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.237 16.967 -4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.274 17.780 -5.034 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.022 17.546 -6.276 1.00 0.00 H new ATOM 585 N ASN A 39 -0.580 14.271 0.066 1.00 0.00 N ATOM 586 CA ASN A 39 -0.306 13.794 1.444 1.00 0.00 C ATOM 587 C ASN A 39 1.106 13.231 1.506 1.00 0.00 C ATOM 588 O ASN A 39 1.754 13.096 0.487 1.00 0.00 O ATOM 589 CB ASN A 39 -1.331 12.700 1.772 1.00 0.00 C ATOM 590 CG ASN A 39 -1.233 12.322 3.260 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.081 12.676 4.055 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.223 11.608 3.676 1.00 0.00 N ATOM 0 H ASN A 39 0.134 14.033 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.387 14.608 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.337 13.051 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.150 11.822 1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.151 11.352 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.494 11.306 3.016 1.00 0.00 H new ATOM 599 N ASP A 40 1.576 12.911 2.678 1.00 0.00 N ATOM 600 CA ASP A 40 2.957 12.359 2.756 1.00 0.00 C ATOM 601 C ASP A 40 3.039 11.030 2.045 1.00 0.00 C ATOM 602 O ASP A 40 2.597 10.014 2.542 1.00 0.00 O ATOM 603 CB ASP A 40 3.353 12.150 4.192 1.00 0.00 C ATOM 604 CG ASP A 40 3.108 13.434 4.987 1.00 0.00 C ATOM 605 OD1 ASP A 40 3.333 14.482 4.404 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.710 13.295 6.131 1.00 0.00 O ATOM 0 H ASP A 40 1.080 13.004 3.564 1.00 0.00 H new ATOM 0 HA ASP A 40 3.629 13.074 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.778 11.330 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.404 11.869 4.252 1.00 0.00 H new ATOM 611 N TYR A 41 3.609 11.073 0.905 1.00 0.00 N ATOM 612 CA TYR A 41 3.763 9.839 0.077 1.00 0.00 C ATOM 613 C TYR A 41 4.949 10.012 -0.871 1.00 0.00 C ATOM 614 O TYR A 41 4.819 10.643 -1.899 1.00 0.00 O ATOM 615 CB TYR A 41 2.482 9.647 -0.814 1.00 0.00 C ATOM 616 CG TYR A 41 1.306 9.027 -0.019 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.594 9.778 0.871 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.925 7.721 -0.239 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.479 9.256 1.549 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.167 7.172 0.433 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.874 7.947 1.342 1.00 0.00 C ATOM 622 OH TYR A 41 -1.942 7.422 2.039 1.00 0.00 O ATOM 0 H TYR A 41 3.990 11.920 0.484 1.00 0.00 H new ATOM 0 HA TYR A 41 3.911 8.985 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.176 10.611 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.724 9.006 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.881 10.804 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.479 7.115 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.020 9.873 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.461 6.150 0.247 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.308 8.105 2.639 1.00 0.00 H new ATOM 632 N MET A 42 6.080 9.442 -0.532 1.00 0.00 N ATOM 633 CA MET A 42 7.260 9.591 -1.440 1.00 0.00 C ATOM 634 C MET A 42 8.284 8.471 -1.220 1.00 0.00 C ATOM 635 O MET A 42 8.548 8.065 -0.106 1.00 0.00 O ATOM 636 CB MET A 42 7.940 10.976 -1.151 1.00 0.00 C ATOM 637 CG MET A 42 7.601 11.983 -2.266 1.00 0.00 C ATOM 638 SD MET A 42 8.447 13.583 -2.224 1.00 0.00 S ATOM 639 CE MET A 42 8.094 13.982 -0.495 1.00 0.00 C ATOM 0 H MET A 42 6.236 8.893 0.313 1.00 0.00 H new ATOM 0 HA MET A 42 6.915 9.533 -2.472 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.601 11.361 -0.189 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.021 10.850 -1.082 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.819 11.511 -3.224 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.527 12.168 -2.238 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.135 15.062 -0.355 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.100 13.619 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.835 13.505 0.147 1.00 0.00 H new ATOM 649 N CYS A 43 8.837 8.006 -2.307 1.00 0.00 N ATOM 650 CA CYS A 43 9.853 6.916 -2.221 1.00 0.00 C ATOM 651 C CYS A 43 11.154 7.472 -1.581 1.00 0.00 C ATOM 652 O CYS A 43 11.310 8.669 -1.448 1.00 0.00 O ATOM 653 CB CYS A 43 10.148 6.416 -3.684 1.00 0.00 C ATOM 654 SG CYS A 43 9.758 4.694 -4.087 1.00 0.00 S ATOM 0 H CYS A 43 8.630 8.333 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 43 9.485 6.094 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.595 7.054 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.208 6.574 -3.884 1.00 0.00 H new ATOM 659 N PRO A 44 12.071 6.585 -1.196 1.00 0.00 N ATOM 660 CA PRO A 44 13.329 7.019 -0.586 1.00 0.00 C ATOM 661 C PRO A 44 14.176 7.816 -1.595 1.00 0.00 C ATOM 662 O PRO A 44 15.307 8.165 -1.320 1.00 0.00 O ATOM 663 CB PRO A 44 14.060 5.695 -0.188 1.00 0.00 C ATOM 664 CG PRO A 44 13.214 4.512 -0.768 1.00 0.00 C ATOM 665 CD PRO A 44 11.903 5.122 -1.330 1.00 0.00 C ATOM 0 HA PRO A 44 13.163 7.674 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.073 5.678 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.146 5.613 0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.765 3.993 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.996 3.778 0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.750 4.836 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.034 4.772 -0.772 1.00 0.00 H new ATOM 673 N ALA A 45 13.603 8.082 -2.742 1.00 0.00 N ATOM 674 CA ALA A 45 14.340 8.845 -3.782 1.00 0.00 C ATOM 675 C ALA A 45 13.374 9.543 -4.634 1.00 0.00 C ATOM 676 O ALA A 45 13.689 10.523 -5.280 1.00 0.00 O ATOM 677 CB ALA A 45 15.120 7.862 -4.638 1.00 0.00 C ATOM 0 H ALA A 45 12.656 7.802 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 45 15.014 9.563 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.668 8.405 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.823 7.312 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.430 7.162 -5.109 1.00 0.00 H new ATOM 683 N THR A 46 12.212 9.016 -4.653 1.00 0.00 N ATOM 684 CA THR A 46 11.163 9.624 -5.456 1.00 0.00 C ATOM 685 C THR A 46 11.609 9.774 -6.912 1.00 0.00 C ATOM 686 O THR A 46 10.996 10.469 -7.695 1.00 0.00 O ATOM 687 CB THR A 46 10.868 11.006 -4.817 1.00 0.00 C ATOM 688 OG1 THR A 46 9.962 10.730 -3.770 1.00 0.00 O ATOM 689 CG2 THR A 46 10.077 11.934 -5.758 1.00 0.00 C ATOM 0 H THR A 46 11.940 8.178 -4.139 1.00 0.00 H new ATOM 0 HA THR A 46 10.268 9.002 -5.470 1.00 0.00 H new ATOM 0 HB THR A 46 11.811 11.479 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.188 11.277 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.897 12.888 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.650 12.102 -6.670 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.123 11.470 -6.009 1.00 0.00 H new ATOM 697 N ASN A 47 12.664 9.089 -7.253 1.00 0.00 N ATOM 698 CA ASN A 47 13.174 9.172 -8.653 1.00 0.00 C ATOM 699 C ASN A 47 12.488 8.156 -9.537 1.00 0.00 C ATOM 700 O ASN A 47 12.604 8.195 -10.744 1.00 0.00 O ATOM 701 CB ASN A 47 14.684 8.883 -8.639 1.00 0.00 C ATOM 702 CG ASN A 47 15.245 9.051 -10.053 1.00 0.00 C ATOM 703 OD1 ASN A 47 15.256 10.133 -10.605 1.00 0.00 O ATOM 704 ND2 ASN A 47 15.718 8.005 -10.675 1.00 0.00 N ATOM 0 H ASN A 47 13.193 8.479 -6.630 1.00 0.00 H new ATOM 0 HA ASN A 47 12.971 10.168 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.189 9.562 -7.952 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.869 7.870 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.094 8.099 -11.619 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.712 7.093 -10.217 1.00 0.00 H new ATOM 711 N GLN A 48 11.771 7.287 -8.910 1.00 0.00 N ATOM 712 CA GLN A 48 11.038 6.224 -9.666 1.00 0.00 C ATOM 713 C GLN A 48 10.261 5.319 -8.710 1.00 0.00 C ATOM 714 O GLN A 48 10.843 4.634 -7.892 1.00 0.00 O ATOM 715 CB GLN A 48 12.065 5.352 -10.430 1.00 0.00 C ATOM 716 CG GLN A 48 11.331 4.182 -11.105 1.00 0.00 C ATOM 717 CD GLN A 48 12.229 3.568 -12.184 1.00 0.00 C ATOM 718 OE1 GLN A 48 11.858 3.480 -13.339 1.00 0.00 O ATOM 719 NE2 GLN A 48 13.414 3.133 -11.853 1.00 0.00 N ATOM 0 H GLN A 48 11.652 7.256 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 48 10.342 6.704 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.584 5.951 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.822 4.974 -9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.068 3.428 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.399 4.531 -11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.732 3.204 -10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.023 2.722 -12.561 1.00 0.00 H new ATOM 728 N CYS A 49 8.951 5.332 -8.830 1.00 0.00 N ATOM 729 CA CYS A 49 8.112 4.472 -7.933 1.00 0.00 C ATOM 730 C CYS A 49 7.724 3.170 -8.653 1.00 0.00 C ATOM 731 O CYS A 49 7.406 3.177 -9.826 1.00 0.00 O ATOM 732 CB CYS A 49 6.828 5.273 -7.554 1.00 0.00 C ATOM 733 SG CYS A 49 6.846 6.163 -5.973 1.00 0.00 S ATOM 0 H CYS A 49 8.432 5.895 -9.504 1.00 0.00 H new ATOM 0 HA CYS A 49 8.674 4.210 -7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.634 5.995 -8.347 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.988 4.579 -7.542 1.00 0.00 H new ATOM 738 N THR A 50 7.761 2.080 -7.931 1.00 0.00 N ATOM 739 CA THR A 50 7.400 0.774 -8.549 1.00 0.00 C ATOM 740 C THR A 50 7.119 -0.282 -7.481 1.00 0.00 C ATOM 741 O THR A 50 7.596 -0.179 -6.368 1.00 0.00 O ATOM 742 CB THR A 50 8.582 0.307 -9.405 1.00 0.00 C ATOM 743 OG1 THR A 50 8.602 1.174 -10.520 1.00 0.00 O ATOM 744 CG2 THR A 50 8.309 -1.082 -10.001 1.00 0.00 C ATOM 0 H THR A 50 8.024 2.040 -6.946 1.00 0.00 H new ATOM 0 HA THR A 50 6.500 0.903 -9.151 1.00 0.00 H new ATOM 0 HB THR A 50 9.491 0.293 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.762 1.678 -10.558 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.162 -1.393 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.154 -1.800 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.417 -1.041 -10.627 1.00 0.00 H new ATOM 752 N ILE A 51 6.345 -1.287 -7.839 1.00 0.00 N ATOM 753 CA ILE A 51 6.030 -2.355 -6.844 1.00 0.00 C ATOM 754 C ILE A 51 5.627 -3.657 -7.539 1.00 0.00 C ATOM 755 O ILE A 51 5.535 -3.717 -8.748 1.00 0.00 O ATOM 756 CB ILE A 51 4.879 -1.837 -5.915 1.00 0.00 C ATOM 757 CG1 ILE A 51 5.133 -2.300 -4.476 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.484 -2.385 -6.378 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.962 -1.884 -3.579 1.00 0.00 C ATOM 0 H ILE A 51 5.927 -1.408 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 51 6.917 -2.574 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 51 4.867 -0.749 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.256 -3.383 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.060 -1.865 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.706 -2.008 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.283 -2.054 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.492 -3.474 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.150 -2.217 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.860 -0.799 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.043 -2.340 -3.946 1.00 0.00 H new ATOM 771 N ASP A 52 5.387 -4.673 -6.749 1.00 0.00 N ATOM 772 CA ASP A 52 4.991 -5.980 -7.341 1.00 0.00 C ATOM 773 C ASP A 52 4.332 -6.886 -6.299 1.00 0.00 C ATOM 774 O ASP A 52 3.177 -7.240 -6.428 1.00 0.00 O ATOM 775 CB ASP A 52 6.261 -6.676 -7.869 1.00 0.00 C ATOM 776 CG ASP A 52 6.691 -6.020 -9.183 1.00 0.00 C ATOM 777 OD1 ASP A 52 5.988 -6.245 -10.155 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.698 -5.333 -9.141 1.00 0.00 O ATOM 0 H ASP A 52 5.448 -4.652 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 52 4.274 -5.800 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.062 -6.602 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.069 -7.737 -8.025 1.00 0.00 H new ATOM 783 N LYS A 53 5.079 -7.247 -5.282 1.00 0.00 N ATOM 784 CA LYS A 53 4.502 -8.134 -4.228 1.00 0.00 C ATOM 785 C LYS A 53 5.237 -7.973 -2.900 1.00 0.00 C ATOM 786 O LYS A 53 6.403 -8.298 -2.788 1.00 0.00 O ATOM 787 CB LYS A 53 4.659 -9.598 -4.698 1.00 0.00 C ATOM 788 CG LYS A 53 3.843 -10.543 -3.777 1.00 0.00 C ATOM 789 CD LYS A 53 2.400 -10.655 -4.297 1.00 0.00 C ATOM 790 CE LYS A 53 1.502 -11.214 -3.188 1.00 0.00 C ATOM 791 NZ LYS A 53 2.215 -12.277 -2.425 1.00 0.00 N ATOM 0 H LYS A 53 6.050 -6.969 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 53 3.456 -7.867 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.317 -9.696 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.711 -9.882 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.307 -11.529 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.843 -10.161 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.039 -9.677 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.366 -11.306 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.205 -10.411 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.588 -11.620 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.522 -12.869 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.764 -12.867 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.858 -11.838 -1.735 1.00 0.00 H new ATOM 805 N ASN A 54 4.538 -7.470 -1.912 1.00 0.00 N ATOM 806 CA ASN A 54 5.167 -7.281 -0.587 1.00 0.00 C ATOM 807 C ASN A 54 4.094 -7.202 0.491 1.00 0.00 C ATOM 808 O ASN A 54 3.654 -8.209 1.007 1.00 0.00 O ATOM 809 CB ASN A 54 5.956 -5.959 -0.607 1.00 0.00 C ATOM 810 CG ASN A 54 7.243 -6.149 -1.410 1.00 0.00 C ATOM 811 OD1 ASN A 54 7.893 -7.172 -1.331 1.00 0.00 O ATOM 812 ND2 ASN A 54 7.648 -5.188 -2.195 1.00 0.00 N ATOM 0 H ASN A 54 3.561 -7.185 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 54 5.829 -8.120 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.351 -5.168 -1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.192 -5.648 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.505 -5.299 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.107 -4.326 -2.267 1.00 0.00 H new ATOM 819 N ARG A 55 3.680 -6.000 0.788 1.00 0.00 N ATOM 820 CA ARG A 55 2.632 -5.798 1.828 1.00 0.00 C ATOM 821 C ARG A 55 2.272 -4.332 1.932 1.00 0.00 C ATOM 822 O ARG A 55 1.311 -3.871 1.350 1.00 0.00 O ATOM 823 CB ARG A 55 3.171 -6.293 3.201 1.00 0.00 C ATOM 824 CG ARG A 55 2.049 -6.197 4.248 1.00 0.00 C ATOM 825 CD ARG A 55 2.584 -6.641 5.616 1.00 0.00 C ATOM 826 NE ARG A 55 3.324 -5.503 6.238 1.00 0.00 N ATOM 827 CZ ARG A 55 3.507 -5.485 7.532 1.00 0.00 C ATOM 828 NH1 ARG A 55 3.462 -6.610 8.192 1.00 0.00 N ATOM 829 NH2 ARG A 55 3.728 -4.342 8.122 1.00 0.00 N ATOM 0 H ARG A 55 4.025 -5.145 0.352 1.00 0.00 H new ATOM 0 HA ARG A 55 1.742 -6.363 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.521 -7.322 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.025 -5.690 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.678 -5.174 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.208 -6.825 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.761 -6.952 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.243 -7.502 5.502 1.00 0.00 H new ATOM 0 HE ARG A 55 3.684 -4.745 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.286 -7.485 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.603 -6.615 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.756 -3.482 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.873 -4.309 9.131 1.00 0.00 H new ATOM 843 N ARG A 56 3.050 -3.645 2.665 1.00 0.00 N ATOM 844 CA ARG A 56 2.815 -2.193 2.854 1.00 0.00 C ATOM 845 C ARG A 56 4.025 -1.548 3.523 1.00 0.00 C ATOM 846 O ARG A 56 3.947 -0.450 4.036 1.00 0.00 O ATOM 847 CB ARG A 56 1.555 -1.999 3.742 1.00 0.00 C ATOM 848 CG ARG A 56 1.894 -2.316 5.211 1.00 0.00 C ATOM 849 CD ARG A 56 0.596 -2.540 5.993 1.00 0.00 C ATOM 850 NE ARG A 56 0.935 -2.931 7.392 1.00 0.00 N ATOM 851 CZ ARG A 56 0.028 -2.831 8.325 1.00 0.00 C ATOM 852 NH1 ARG A 56 -1.052 -3.558 8.238 1.00 0.00 N ATOM 853 NH2 ARG A 56 0.232 -2.005 9.316 1.00 0.00 N ATOM 0 H ARG A 56 3.860 -4.019 3.159 1.00 0.00 H new ATOM 0 HA ARG A 56 2.661 -1.719 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.193 -0.974 3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.752 -2.650 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.524 -3.204 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.460 -1.495 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.006 -1.632 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.000 -3.319 5.518 1.00 0.00 H new ATOM 0 HE ARG A 56 1.869 -3.274 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.178 -4.192 7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.771 -3.492 8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.088 -1.452 9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.465 -1.913 10.055 1.00 0.00 H new ATOM 867 N LYS A 57 5.129 -2.259 3.498 1.00 0.00 N ATOM 868 CA LYS A 57 6.382 -1.727 4.125 1.00 0.00 C ATOM 869 C LYS A 57 7.336 -1.216 3.058 1.00 0.00 C ATOM 870 O LYS A 57 8.467 -0.869 3.335 1.00 0.00 O ATOM 871 CB LYS A 57 7.059 -2.881 4.909 1.00 0.00 C ATOM 872 CG LYS A 57 8.009 -2.298 5.984 1.00 0.00 C ATOM 873 CD LYS A 57 7.220 -1.986 7.265 1.00 0.00 C ATOM 874 CE LYS A 57 8.189 -1.492 8.340 1.00 0.00 C ATOM 875 NZ LYS A 57 7.500 -1.389 9.657 1.00 0.00 N ATOM 0 H LYS A 57 5.216 -3.182 3.072 1.00 0.00 H new ATOM 0 HA LYS A 57 6.135 -0.900 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.301 -3.506 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.618 -3.519 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.806 -3.009 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.484 -1.391 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.462 -1.229 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.697 -2.877 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.034 -2.176 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.591 -0.519 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.173 -1.052 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.708 -0.719 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.138 -2.324 9.933 1.00 0.00 H new ATOM 889 N SER A 58 6.858 -1.180 1.856 1.00 0.00 N ATOM 890 CA SER A 58 7.708 -0.693 0.735 1.00 0.00 C ATOM 891 C SER A 58 7.616 0.817 0.651 1.00 0.00 C ATOM 892 O SER A 58 8.406 1.525 1.242 1.00 0.00 O ATOM 893 CB SER A 58 7.177 -1.297 -0.576 1.00 0.00 C ATOM 894 OG SER A 58 5.770 -1.132 -0.490 1.00 0.00 O ATOM 0 H SER A 58 5.914 -1.466 1.595 1.00 0.00 H new ATOM 0 HA SER A 58 8.745 -0.987 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.586 -0.783 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.450 -2.348 -0.670 1.00 0.00 H new ATOM 0 HG SER A 58 5.417 -0.869 -1.366 1.00 0.00 H new ATOM 900 N CYS A 59 6.645 1.291 -0.086 1.00 0.00 N ATOM 901 CA CYS A 59 6.475 2.766 -0.223 1.00 0.00 C ATOM 902 C CYS A 59 5.017 3.097 -0.409 1.00 0.00 C ATOM 903 O CYS A 59 4.402 2.698 -1.374 1.00 0.00 O ATOM 904 CB CYS A 59 7.255 3.261 -1.452 1.00 0.00 C ATOM 905 SG CYS A 59 6.564 4.681 -2.356 1.00 0.00 S ATOM 0 H CYS A 59 5.967 0.724 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 59 6.851 3.251 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.263 3.523 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.350 2.429 -2.150 1.00 0.00 H new ATOM 910 N GLN A 60 4.480 3.809 0.521 1.00 0.00 N ATOM 911 CA GLN A 60 3.065 4.172 0.410 1.00 0.00 C ATOM 912 C GLN A 60 2.807 4.916 -0.901 1.00 0.00 C ATOM 913 O GLN A 60 1.724 4.870 -1.445 1.00 0.00 O ATOM 914 CB GLN A 60 2.704 5.097 1.603 1.00 0.00 C ATOM 915 CG GLN A 60 3.142 4.431 2.939 1.00 0.00 C ATOM 916 CD GLN A 60 4.576 4.861 3.314 1.00 0.00 C ATOM 917 OE1 GLN A 60 5.034 4.621 4.413 1.00 0.00 O ATOM 918 NE2 GLN A 60 5.311 5.495 2.437 1.00 0.00 N ATOM 0 H GLN A 60 4.961 4.154 1.352 1.00 0.00 H new ATOM 0 HA GLN A 60 2.454 3.269 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.197 6.062 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.631 5.287 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.452 4.712 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.095 3.346 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.936 5.701 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.259 5.783 2.679 1.00 0.00 H new ATOM 927 N ALA A 61 3.822 5.574 -1.392 1.00 0.00 N ATOM 928 CA ALA A 61 3.670 6.335 -2.668 1.00 0.00 C ATOM 929 C ALA A 61 3.778 5.435 -3.877 1.00 0.00 C ATOM 930 O ALA A 61 3.720 5.894 -4.998 1.00 0.00 O ATOM 931 CB ALA A 61 4.752 7.417 -2.689 1.00 0.00 C ATOM 0 H ALA A 61 4.748 5.618 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 61 2.678 6.784 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.671 7.995 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.621 8.079 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.735 6.949 -2.639 1.00 0.00 H new ATOM 937 N CYS A 62 3.940 4.165 -3.629 1.00 0.00 N ATOM 938 CA CYS A 62 4.051 3.191 -4.750 1.00 0.00 C ATOM 939 C CYS A 62 2.759 2.421 -4.801 1.00 0.00 C ATOM 940 O CYS A 62 2.164 2.292 -5.834 1.00 0.00 O ATOM 941 CB CYS A 62 5.240 2.221 -4.474 1.00 0.00 C ATOM 942 SG CYS A 62 6.813 2.569 -5.291 1.00 0.00 S ATOM 0 H CYS A 62 4.000 3.759 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 62 4.231 3.698 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.417 2.204 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.928 1.217 -4.761 1.00 0.00 H new ATOM 947 N ARG A 63 2.346 1.908 -3.674 1.00 0.00 N ATOM 948 CA ARG A 63 1.087 1.155 -3.673 1.00 0.00 C ATOM 949 C ARG A 63 0.001 2.103 -4.088 1.00 0.00 C ATOM 950 O ARG A 63 -0.832 1.794 -4.917 1.00 0.00 O ATOM 951 CB ARG A 63 0.786 0.662 -2.241 1.00 0.00 C ATOM 952 CG ARG A 63 1.715 -0.497 -1.891 1.00 0.00 C ATOM 953 CD ARG A 63 1.372 -1.031 -0.495 1.00 0.00 C ATOM 954 NE ARG A 63 -0.104 -1.306 -0.412 1.00 0.00 N ATOM 955 CZ ARG A 63 -0.536 -2.340 0.271 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.665 -3.486 -0.337 1.00 0.00 N ATOM 957 NH2 ARG A 63 -0.821 -2.186 1.535 1.00 0.00 N ATOM 0 H ARG A 63 2.824 1.982 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 63 1.150 0.300 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.921 1.477 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.254 0.343 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.615 -1.292 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.753 -0.165 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.934 -1.943 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.661 -0.305 0.265 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.767 -0.691 -0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.432 -3.567 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.999 -4.301 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.707 -1.273 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.158 -2.978 2.082 1.00 0.00 H new ATOM 971 N LEU A 64 0.039 3.262 -3.490 1.00 0.00 N ATOM 972 CA LEU A 64 -0.961 4.274 -3.809 1.00 0.00 C ATOM 973 C LEU A 64 -0.922 4.613 -5.277 1.00 0.00 C ATOM 974 O LEU A 64 -1.887 4.449 -5.993 1.00 0.00 O ATOM 975 CB LEU A 64 -0.617 5.560 -3.047 1.00 0.00 C ATOM 976 CG LEU A 64 -1.733 6.606 -3.262 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.091 6.037 -2.743 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.364 7.891 -2.473 1.00 0.00 C ATOM 0 H LEU A 64 0.731 3.537 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.943 3.887 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.506 5.346 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.338 5.956 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.831 6.838 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.877 6.776 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.337 5.127 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.008 5.810 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.142 8.641 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.276 7.654 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.414 8.281 -2.837 1.00 0.00 H new ATOM 990 N ARG A 65 0.207 5.101 -5.697 1.00 0.00 N ATOM 991 CA ARG A 65 0.353 5.467 -7.106 1.00 0.00 C ATOM 992 C ARG A 65 -0.003 4.300 -7.982 1.00 0.00 C ATOM 993 O ARG A 65 -0.658 4.460 -8.991 1.00 0.00 O ATOM 994 CB ARG A 65 1.837 5.849 -7.353 1.00 0.00 C ATOM 995 CG ARG A 65 2.110 7.270 -6.814 1.00 0.00 C ATOM 996 CD ARG A 65 1.257 8.317 -7.579 1.00 0.00 C ATOM 997 NE ARG A 65 0.922 7.798 -8.944 1.00 0.00 N ATOM 998 CZ ARG A 65 1.789 7.933 -9.913 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.461 9.046 -10.007 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.953 6.949 -10.755 1.00 0.00 N ATOM 0 H ARG A 65 1.030 5.258 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.308 6.301 -7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.493 5.131 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.060 5.806 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.879 7.312 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.168 7.508 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.342 8.529 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.804 9.256 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 65 0.025 7.343 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.306 9.794 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.142 9.169 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.409 6.092 -10.651 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.625 7.037 -11.517 1.00 0.00 H new ATOM 1014 N LYS A 66 0.430 3.134 -7.596 1.00 0.00 N ATOM 1015 CA LYS A 66 0.106 1.971 -8.417 1.00 0.00 C ATOM 1016 C LYS A 66 -1.325 1.618 -8.224 1.00 0.00 C ATOM 1017 O LYS A 66 -1.847 0.827 -8.957 1.00 0.00 O ATOM 1018 CB LYS A 66 0.995 0.780 -8.027 1.00 0.00 C ATOM 1019 CG LYS A 66 2.449 1.030 -8.508 1.00 0.00 C ATOM 1020 CD LYS A 66 2.480 1.183 -10.068 1.00 0.00 C ATOM 1021 CE LYS A 66 3.796 0.633 -10.641 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.710 0.523 -12.124 1.00 0.00 N ATOM 0 H LYS A 66 0.984 2.951 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 66 0.286 2.210 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.979 0.641 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.607 -0.136 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.846 1.930 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.089 0.202 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.636 0.652 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.371 2.233 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.622 1.289 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.008 -0.345 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.606 0.150 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.934 -0.120 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.530 1.462 -12.532 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.949 2.174 -7.186 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.375 1.857 -6.973 1.00 0.00 C ATOM 1038 C CYS A 67 -4.173 2.821 -7.830 1.00 0.00 C ATOM 1039 O CYS A 67 -5.254 2.523 -8.242 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.744 2.032 -5.488 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.873 0.531 -4.485 1.00 0.00 S ATOM 0 H CYS A 67 -1.527 2.811 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.590 0.824 -7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.999 2.682 -5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.699 2.556 -5.437 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.127 -0.401 -5.000 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.613 3.996 -8.059 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.339 4.986 -8.901 1.00 0.00 C ATOM 1049 C TYR A 68 -4.055 4.650 -10.361 1.00 0.00 C ATOM 1050 O TYR A 68 -4.905 4.798 -11.217 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.785 6.429 -8.644 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.142 7.013 -7.237 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.414 6.876 -6.669 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.202 7.801 -6.570 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.725 7.521 -5.470 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.535 8.452 -5.386 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.783 8.309 -4.834 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.080 8.932 -3.652 1.00 0.00 O ATOM 0 H TYR A 68 -2.706 4.297 -7.704 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.403 4.949 -8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.701 6.415 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.175 7.098 -9.412 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.159 6.268 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.207 7.906 -6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.707 7.404 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.803 9.077 -4.896 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.936 9.401 -3.736 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.843 4.198 -10.616 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.465 3.839 -12.006 1.00 0.00 C ATOM 1070 C GLU A 69 -3.490 2.897 -12.567 1.00 0.00 C ATOM 1071 O GLU A 69 -3.661 2.746 -13.761 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.094 3.142 -11.946 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.436 3.167 -13.331 1.00 0.00 C ATOM 1074 CD GLU A 69 -1.154 2.180 -14.252 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -1.151 1.011 -13.902 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -1.666 2.649 -15.255 1.00 0.00 O ATOM 0 H GLU A 69 -2.111 4.067 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.416 4.724 -12.641 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.453 3.642 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.214 2.112 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.483 4.172 -13.750 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.619 2.904 -13.250 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.137 2.303 -11.668 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.204 1.326 -11.992 1.00 0.00 C ATOM 1085 C VAL A 70 -6.353 1.995 -12.664 1.00 0.00 C ATOM 1086 O VAL A 70 -6.832 1.589 -13.703 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.738 0.825 -10.649 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.854 -0.219 -10.843 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.617 0.239 -9.826 1.00 0.00 C ATOM 0 H VAL A 70 -3.983 2.443 -10.669 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.803 0.545 -12.638 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.162 1.678 -10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.212 -0.555 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.679 0.229 -11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.463 -1.071 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.011 -0.114 -8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.168 -0.596 -10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.861 1.003 -9.645 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.755 3.016 -12.026 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.894 3.832 -12.508 1.00 0.00 C ATOM 1101 C GLY A 71 -9.105 3.377 -11.707 1.00 0.00 C ATOM 1102 O GLY A 71 -10.196 3.246 -12.223 1.00 0.00 O ATOM 0 H GLY A 71 -6.337 3.346 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.704 4.895 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.055 3.685 -13.576 1.00 0.00 H new ATOM 1106 N MET A 72 -8.863 3.142 -10.426 1.00 0.00 N ATOM 1107 CA MET A 72 -9.978 2.680 -9.523 1.00 0.00 C ATOM 1108 C MET A 72 -10.719 3.822 -8.921 1.00 0.00 C ATOM 1109 O MET A 72 -11.876 4.053 -9.197 1.00 0.00 O ATOM 1110 CB MET A 72 -9.422 1.799 -8.302 1.00 0.00 C ATOM 1111 CG MET A 72 -7.888 1.874 -8.160 1.00 0.00 C ATOM 1112 SD MET A 72 -7.194 1.845 -6.502 1.00 0.00 S ATOM 1113 CE MET A 72 -7.934 0.291 -6.018 1.00 0.00 C ATOM 0 H MET A 72 -7.954 3.249 -9.975 1.00 0.00 H new ATOM 0 HA MET A 72 -10.639 2.091 -10.159 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.885 2.138 -7.375 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.719 0.760 -8.445 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.460 1.040 -8.716 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.551 2.789 -8.647 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.590 0.451 -5.162 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.513 -0.111 -6.849 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.150 -0.416 -5.747 1.00 0.00 H new ATOM 1123 N MET A 73 -10.021 4.492 -8.101 1.00 0.00 N ATOM 1124 CA MET A 73 -10.591 5.650 -7.403 1.00 0.00 C ATOM 1125 C MET A 73 -11.680 5.125 -6.512 1.00 0.00 C ATOM 1126 O MET A 73 -12.558 4.421 -6.968 1.00 0.00 O ATOM 1127 CB MET A 73 -11.179 6.666 -8.399 1.00 0.00 C ATOM 1128 CG MET A 73 -10.181 6.902 -9.537 1.00 0.00 C ATOM 1129 SD MET A 73 -8.461 7.233 -9.079 1.00 0.00 S ATOM 1130 CE MET A 73 -7.905 7.840 -10.692 1.00 0.00 C ATOM 0 H MET A 73 -9.048 4.288 -7.870 1.00 0.00 H new ATOM 0 HA MET A 73 -9.818 6.165 -6.833 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.122 6.295 -8.799 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.396 7.606 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.195 6.025 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.540 7.743 -10.131 1.00 0.00 H new ATOM 0 HE1 MET A 73 -6.850 8.107 -10.636 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.043 7.061 -11.441 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.487 8.718 -10.971 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.601 5.452 -5.256 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.636 4.967 -4.298 1.00 0.00 C ATOM 1142 C LYS A 74 -14.026 4.923 -4.946 1.00 0.00 C ATOM 1143 O LYS A 74 -14.742 3.948 -4.834 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.688 5.932 -3.093 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.858 5.564 -2.156 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.780 4.068 -1.798 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.618 3.804 -0.543 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.006 4.466 0.643 1.00 0.00 N ATOM 0 H LYS A 74 -10.868 6.032 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.367 3.958 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.747 5.889 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.805 6.957 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.816 6.168 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.809 5.783 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.147 3.464 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.744 3.777 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.632 4.176 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.694 2.731 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.270 3.947 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.971 4.468 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.350 5.445 0.710 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.368 5.987 -5.620 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.702 6.042 -6.289 1.00 0.00 C ATOM 1164 C GLY A 75 -15.652 5.328 -7.641 1.00 0.00 C ATOM 1165 O GLY A 75 -14.787 4.479 -7.774 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.482 5.673 -8.467 1.00 0.00 O ATOM 0 H GLY A 75 -13.786 6.817 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.454 5.576 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.002 7.080 -6.430 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.363 -4.433 -4.724 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 7.499 4.579 -4.444 1.00 0.00 ZN