USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 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 67 CYS SG : rot 140:sc= -1.63 USER MOD Set 1.2: A 72 MET CE :methyl 162:sc=-0.00824 (180deg=-0.553) USER MOD Set 2.1: A 34 SER OG : rot -161:sc= 1.01! USER MOD Set 2.2: A 41 TYR OH : rot 63:sc= -1.69! USER MOD Set 3.1: A 19 TYR OH : rot 165:sc= -0.42 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -145:sc= -1.68 (180deg=-1.88!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= -6.65! K(o=-7.4!,f=-5) USER MOD Set 4.2: A 23 SER OG : rot 180:sc= -0.768 USER MOD Set 5.1: A 11 ASN : amide:sc= -4.32! C(o=-5.4!,f=-12!) USER MOD Set 5.2: A 54 ASN : amide:sc= -1.11 X(o=-5.4,f=-5!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.264 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.00782 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc=-0.00016 (180deg=-0.194) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 116:sc= -0.313 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -28:sc= -0.858! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.22) USER MOD Single : A 38 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-5.6!) USER MOD Single : A 39 ASN : amide:sc= -5.11! K(o=-5.1!,f=-0.96) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.2!) USER MOD Single : A 48 GLN : amide:sc= -5.26! C(o=-5.3!,f=-4.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= -3.26! (180deg=-5.94!) USER MOD Single : A 58 SER OG : rot -14:sc= 0.285 USER MOD Single : A 60 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.025) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 162:sc= -3.03! USER MOD Single : A 73 MET CE :methyl -156:sc= -0.0273 (180deg=-0.575) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.443 -16.205 -12.725 1.00 0.00 N ATOM 2 CA MET A 1 -15.504 -16.768 -13.591 1.00 0.00 C ATOM 3 C MET A 1 -14.928 -17.093 -14.974 1.00 0.00 C ATOM 4 O MET A 1 -13.855 -17.651 -15.081 1.00 0.00 O ATOM 5 CB MET A 1 -16.655 -15.741 -13.740 1.00 0.00 C ATOM 6 CG MET A 1 -17.952 -16.476 -14.105 1.00 0.00 C ATOM 7 SD MET A 1 -18.801 -17.371 -12.780 1.00 0.00 S ATOM 8 CE MET A 1 -19.021 -15.965 -11.662 1.00 0.00 C ATOM 0 H1 MET A 1 -14.591 -16.520 -11.745 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.514 -16.533 -13.057 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.478 -15.166 -12.764 1.00 0.00 H new ATOM 0 HA MET A 1 -15.888 -17.681 -13.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.787 -15.189 -12.810 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.408 -15.011 -14.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.648 -15.746 -14.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.725 -17.186 -14.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.874 -16.150 -11.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.123 -15.836 -11.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.200 -15.061 -12.245 1.00 0.00 H new ATOM 20 N LYS A 2 -15.650 -16.739 -16.003 1.00 0.00 N ATOM 21 CA LYS A 2 -15.152 -17.022 -17.372 1.00 0.00 C ATOM 22 C LYS A 2 -13.703 -16.574 -17.523 1.00 0.00 C ATOM 23 O LYS A 2 -12.974 -17.085 -18.350 1.00 0.00 O ATOM 24 CB LYS A 2 -16.020 -16.243 -18.372 1.00 0.00 C ATOM 25 CG LYS A 2 -17.439 -16.814 -18.353 1.00 0.00 C ATOM 26 CD LYS A 2 -18.363 -15.891 -19.149 1.00 0.00 C ATOM 27 CE LYS A 2 -19.804 -16.393 -19.024 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.956 -17.713 -19.698 1.00 0.00 N ATOM 0 H LYS A 2 -16.555 -16.270 -15.952 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.206 -18.095 -17.559 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.037 -15.185 -18.111 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.598 -16.317 -19.374 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.447 -17.815 -18.783 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.793 -16.906 -17.326 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.287 -14.870 -18.775 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.062 -15.870 -20.196 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.075 -16.482 -17.972 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.487 -15.670 -19.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.966 -17.945 -19.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.529 -17.670 -20.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.479 -18.447 -19.136 1.00 0.00 H new ATOM 42 N GLU A 3 -13.310 -15.624 -16.711 1.00 0.00 N ATOM 43 CA GLU A 3 -11.907 -15.116 -16.779 1.00 0.00 C ATOM 44 C GLU A 3 -11.424 -14.703 -15.396 1.00 0.00 C ATOM 45 O GLU A 3 -12.026 -13.868 -14.751 1.00 0.00 O ATOM 46 CB GLU A 3 -11.881 -13.883 -17.697 1.00 0.00 C ATOM 47 CG GLU A 3 -12.565 -14.225 -19.022 1.00 0.00 C ATOM 48 CD GLU A 3 -12.313 -13.097 -20.026 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.207 -13.065 -20.538 1.00 0.00 O ATOM 50 OE2 GLU A 3 -13.243 -12.331 -20.222 1.00 0.00 O ATOM 0 H GLU A 3 -13.899 -15.180 -16.006 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.258 -15.903 -17.162 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.390 -13.047 -17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.852 -13.570 -17.876 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.179 -15.167 -19.411 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.636 -14.358 -18.868 1.00 0.00 H new ATOM 57 N THR A 4 -10.344 -15.294 -14.962 1.00 0.00 N ATOM 58 CA THR A 4 -9.815 -14.942 -13.620 1.00 0.00 C ATOM 59 C THR A 4 -9.093 -13.610 -13.644 1.00 0.00 C ATOM 60 O THR A 4 -8.196 -13.404 -14.431 1.00 0.00 O ATOM 61 CB THR A 4 -8.802 -16.017 -13.188 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.506 -17.242 -13.233 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.414 -15.844 -11.706 1.00 0.00 C ATOM 0 H THR A 4 -9.812 -15.998 -15.474 1.00 0.00 H new ATOM 0 HA THR A 4 -10.656 -14.881 -12.930 1.00 0.00 H new ATOM 0 HB THR A 4 -7.917 -15.962 -13.822 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.909 -17.972 -12.968 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.697 -16.616 -11.425 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.965 -14.861 -11.560 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.305 -15.932 -11.084 1.00 0.00 H new ATOM 71 N ARG A 5 -9.517 -12.711 -12.797 1.00 0.00 N ATOM 72 CA ARG A 5 -8.863 -11.376 -12.747 1.00 0.00 C ATOM 73 C ARG A 5 -7.826 -11.409 -11.662 1.00 0.00 C ATOM 74 O ARG A 5 -7.695 -12.398 -10.967 1.00 0.00 O ATOM 75 CB ARG A 5 -9.924 -10.303 -12.437 1.00 0.00 C ATOM 76 CG ARG A 5 -11.214 -10.645 -13.198 1.00 0.00 C ATOM 77 CD ARG A 5 -10.897 -10.817 -14.694 1.00 0.00 C ATOM 78 NE ARG A 5 -12.146 -10.583 -15.482 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.484 -9.362 -15.807 1.00 0.00 C ATOM 80 NH1 ARG A 5 -11.953 -8.364 -15.154 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.342 -9.182 -16.773 1.00 0.00 N ATOM 0 H ARG A 5 -10.286 -12.845 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.394 -11.137 -13.701 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.118 -10.263 -11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.562 -9.318 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.651 -11.561 -12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.951 -9.854 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.122 -10.114 -14.999 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.512 -11.819 -14.885 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.730 -11.370 -15.764 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.286 -8.543 -14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.205 -7.405 -15.394 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.737 -9.986 -17.261 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.618 -8.237 -17.041 1.00 0.00 H new ATOM 95 N TYR A 6 -7.098 -10.350 -11.509 1.00 0.00 N ATOM 96 CA TYR A 6 -6.053 -10.349 -10.443 1.00 0.00 C ATOM 97 C TYR A 6 -5.802 -8.945 -9.898 1.00 0.00 C ATOM 98 O TYR A 6 -6.408 -7.991 -10.344 1.00 0.00 O ATOM 99 CB TYR A 6 -4.760 -10.905 -11.075 1.00 0.00 C ATOM 100 CG TYR A 6 -5.115 -12.015 -12.082 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.330 -13.310 -11.651 1.00 0.00 C ATOM 102 CD2 TYR A 6 -5.221 -11.735 -13.430 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.641 -14.304 -12.553 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.528 -12.733 -14.330 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.739 -14.025 -13.899 1.00 0.00 C ATOM 106 OH TYR A 6 -6.039 -15.024 -14.801 1.00 0.00 O ATOM 0 H TYR A 6 -7.172 -9.495 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.384 -10.960 -9.604 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.215 -10.105 -11.577 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.104 -11.300 -10.299 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.254 -13.545 -10.600 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.062 -10.726 -13.782 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.810 -15.311 -12.202 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.604 -12.500 -15.382 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.903 -14.835 -15.223 1.00 0.00 H new ATOM 116 N CYS A 7 -4.907 -8.840 -8.931 1.00 0.00 N ATOM 117 CA CYS A 7 -4.625 -7.516 -8.365 1.00 0.00 C ATOM 118 C CYS A 7 -3.923 -6.643 -9.365 1.00 0.00 C ATOM 119 O CYS A 7 -2.801 -6.900 -9.753 1.00 0.00 O ATOM 120 CB CYS A 7 -3.745 -7.645 -7.088 1.00 0.00 C ATOM 121 SG CYS A 7 -3.539 -6.124 -6.099 1.00 0.00 S ATOM 0 H CYS A 7 -4.379 -9.614 -8.529 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.579 -7.058 -8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.178 -8.414 -6.449 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.757 -7.997 -7.386 1.00 0.00 H new ATOM 126 N ALA A 8 -4.603 -5.617 -9.765 1.00 0.00 N ATOM 127 CA ALA A 8 -4.017 -4.691 -10.743 1.00 0.00 C ATOM 128 C ALA A 8 -3.065 -3.764 -10.038 1.00 0.00 C ATOM 129 O ALA A 8 -2.376 -2.975 -10.654 1.00 0.00 O ATOM 130 CB ALA A 8 -5.164 -3.848 -11.331 1.00 0.00 C ATOM 0 H ALA A 8 -5.545 -5.382 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.489 -5.242 -11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.762 -3.148 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.887 -4.505 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.656 -3.294 -10.531 1.00 0.00 H new ATOM 136 N VAL A 9 -3.039 -3.884 -8.737 1.00 0.00 N ATOM 137 CA VAL A 9 -2.141 -3.015 -7.926 1.00 0.00 C ATOM 138 C VAL A 9 -0.818 -3.649 -7.526 1.00 0.00 C ATOM 139 O VAL A 9 0.224 -3.101 -7.809 1.00 0.00 O ATOM 140 CB VAL A 9 -2.847 -2.686 -6.589 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.012 -1.619 -5.839 1.00 0.00 C ATOM 142 CG2 VAL A 9 -4.301 -2.169 -6.812 1.00 0.00 C ATOM 0 H VAL A 9 -3.601 -4.546 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.935 -2.155 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.918 -3.599 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.497 -1.376 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.013 -2.009 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.938 -0.720 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.761 -1.950 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.276 -1.263 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.884 -2.933 -7.327 1.00 0.00 H new ATOM 152 N CYS A 10 -0.869 -4.805 -6.873 1.00 0.00 N ATOM 153 CA CYS A 10 0.437 -5.442 -6.444 1.00 0.00 C ATOM 154 C CYS A 10 0.561 -6.995 -6.465 1.00 0.00 C ATOM 155 O CYS A 10 1.512 -7.510 -7.020 1.00 0.00 O ATOM 156 CB CYS A 10 0.585 -5.036 -4.970 1.00 0.00 C ATOM 157 SG CYS A 10 -0.352 -6.033 -3.755 1.00 0.00 S ATOM 0 H CYS A 10 -1.718 -5.314 -6.628 1.00 0.00 H new ATOM 0 HA CYS A 10 1.182 -5.103 -7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.642 -5.082 -4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.276 -3.996 -4.869 1.00 0.00 H new ATOM 162 N ASN A 11 -0.375 -7.721 -5.876 1.00 0.00 N ATOM 163 CA ASN A 11 -0.241 -9.204 -5.881 1.00 0.00 C ATOM 164 C ASN A 11 -0.816 -9.877 -7.100 1.00 0.00 C ATOM 165 O ASN A 11 -0.202 -9.913 -8.147 1.00 0.00 O ATOM 166 CB ASN A 11 -0.966 -9.738 -4.625 1.00 0.00 C ATOM 167 CG ASN A 11 -0.156 -9.373 -3.379 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.516 -8.487 -2.628 1.00 0.00 O ATOM 169 ND2 ASN A 11 0.941 -10.032 -3.122 1.00 0.00 N ATOM 0 H ASN A 11 -1.202 -7.352 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 11 0.824 -9.435 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.967 -9.311 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.084 -10.819 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.492 -9.803 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.248 -10.776 -3.749 1.00 0.00 H new ATOM 176 N ASP A 12 -1.987 -10.392 -6.945 1.00 0.00 N ATOM 177 CA ASP A 12 -2.624 -11.075 -8.068 1.00 0.00 C ATOM 178 C ASP A 12 -4.065 -11.428 -7.716 1.00 0.00 C ATOM 179 O ASP A 12 -4.809 -10.577 -7.281 1.00 0.00 O ATOM 180 CB ASP A 12 -1.835 -12.378 -8.345 1.00 0.00 C ATOM 181 CG ASP A 12 -2.207 -12.925 -9.723 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.927 -12.220 -10.679 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.750 -14.018 -9.743 1.00 0.00 O ATOM 0 H ASP A 12 -2.530 -10.367 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.625 -10.428 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.764 -12.182 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.057 -13.119 -7.577 1.00 0.00 H new ATOM 188 N TYR A 13 -4.429 -12.698 -7.882 1.00 0.00 N ATOM 189 CA TYR A 13 -5.835 -13.121 -7.559 1.00 0.00 C ATOM 190 C TYR A 13 -6.442 -12.278 -6.453 1.00 0.00 C ATOM 191 O TYR A 13 -6.265 -12.537 -5.278 1.00 0.00 O ATOM 192 CB TYR A 13 -5.852 -14.563 -7.103 1.00 0.00 C ATOM 193 CG TYR A 13 -5.071 -15.452 -8.083 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.670 -15.945 -9.232 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.770 -15.821 -7.800 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.980 -16.795 -10.071 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.081 -16.669 -8.644 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.680 -17.162 -9.785 1.00 0.00 C ATOM 199 OH TYR A 13 -2.990 -18.011 -10.627 1.00 0.00 O ATOM 0 H TYR A 13 -3.818 -13.441 -8.222 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.420 -12.991 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.415 -14.640 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.881 -14.914 -7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.684 -15.661 -9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.288 -15.443 -6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.461 -17.177 -10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.065 -16.949 -8.409 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.089 -18.162 -10.273 1.00 0.00 H new ATOM 209 N ALA A 14 -7.138 -11.294 -6.869 1.00 0.00 N ATOM 210 CA ALA A 14 -7.796 -10.376 -5.913 1.00 0.00 C ATOM 211 C ALA A 14 -9.030 -11.028 -5.294 1.00 0.00 C ATOM 212 O ALA A 14 -9.736 -11.774 -5.943 1.00 0.00 O ATOM 213 CB ALA A 14 -8.208 -9.105 -6.690 1.00 0.00 C ATOM 0 H ALA A 14 -7.290 -11.070 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.109 -10.131 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.697 -8.406 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.321 -8.636 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.896 -9.375 -7.491 1.00 0.00 H new ATOM 219 N SER A 15 -9.266 -10.728 -4.046 1.00 0.00 N ATOM 220 CA SER A 15 -10.442 -11.314 -3.358 1.00 0.00 C ATOM 221 C SER A 15 -11.742 -10.980 -4.083 1.00 0.00 C ATOM 222 O SER A 15 -12.720 -11.689 -3.956 1.00 0.00 O ATOM 223 CB SER A 15 -10.506 -10.733 -1.939 1.00 0.00 C ATOM 224 OG SER A 15 -9.330 -11.223 -1.310 1.00 0.00 O ATOM 0 H SER A 15 -8.694 -10.103 -3.477 1.00 0.00 H new ATOM 0 HA SER A 15 -10.332 -12.398 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.525 -9.643 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.404 -11.060 -1.415 1.00 0.00 H new ATOM 0 HG SER A 15 -9.291 -10.893 -0.388 1.00 0.00 H new ATOM 230 N GLY A 16 -11.739 -9.905 -4.832 1.00 0.00 N ATOM 231 CA GLY A 16 -12.989 -9.527 -5.566 1.00 0.00 C ATOM 232 C GLY A 16 -12.987 -8.043 -5.927 1.00 0.00 C ATOM 233 O GLY A 16 -12.118 -7.299 -5.514 1.00 0.00 O ATOM 0 H GLY A 16 -10.942 -9.283 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.077 -10.125 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.859 -9.753 -4.950 1.00 0.00 H new ATOM 237 N TYR A 17 -13.965 -7.645 -6.696 1.00 0.00 N ATOM 238 CA TYR A 17 -14.047 -6.217 -7.098 1.00 0.00 C ATOM 239 C TYR A 17 -14.002 -5.315 -5.869 1.00 0.00 C ATOM 240 O TYR A 17 -14.120 -5.780 -4.754 1.00 0.00 O ATOM 241 CB TYR A 17 -15.392 -6.001 -7.876 1.00 0.00 C ATOM 242 CG TYR A 17 -15.148 -5.142 -9.136 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.211 -5.523 -10.080 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.859 -3.976 -9.338 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.991 -4.750 -11.201 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.638 -3.204 -10.459 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.702 -3.584 -11.400 1.00 0.00 C ATOM 248 OH TYR A 17 -14.479 -2.810 -12.521 1.00 0.00 O ATOM 0 H TYR A 17 -14.705 -8.245 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.200 -5.963 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.815 -6.965 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.120 -5.512 -7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.647 -6.433 -9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.595 -3.666 -8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.256 -5.060 -11.929 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.202 -2.294 -10.602 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.556 -2.934 -12.826 1.00 0.00 H new ATOM 258 N HIS A 18 -13.837 -4.038 -6.095 1.00 0.00 N ATOM 259 CA HIS A 18 -13.782 -3.097 -4.948 1.00 0.00 C ATOM 260 C HIS A 18 -14.156 -1.681 -5.375 1.00 0.00 C ATOM 261 O HIS A 18 -14.701 -0.923 -4.598 1.00 0.00 O ATOM 262 CB HIS A 18 -12.345 -3.102 -4.403 1.00 0.00 C ATOM 263 CG HIS A 18 -12.132 -4.380 -3.581 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.169 -5.165 -3.711 1.00 0.00 N ATOM 265 CD2 HIS A 18 -12.923 -4.934 -2.588 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.261 -6.152 -2.917 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.354 -6.091 -2.156 1.00 0.00 N ATOM 0 H HIS A 18 -13.739 -3.613 -7.017 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.494 -3.415 -4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.630 -3.058 -5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.173 -2.222 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.846 -4.514 -2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.536 -6.951 -2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.678 -6.740 -1.439 1.00 0.00 H new ATOM 275 N TYR A 19 -13.858 -1.344 -6.604 1.00 0.00 N ATOM 276 CA TYR A 19 -14.197 0.027 -7.086 1.00 0.00 C ATOM 277 C TYR A 19 -14.402 -0.005 -8.586 1.00 0.00 C ATOM 278 O TYR A 19 -15.444 0.363 -9.091 1.00 0.00 O ATOM 279 CB TYR A 19 -13.003 0.971 -6.785 1.00 0.00 C ATOM 280 CG TYR A 19 -12.929 1.294 -5.276 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.045 1.733 -4.569 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.741 1.099 -4.587 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.968 1.955 -3.211 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.677 1.325 -3.234 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.785 1.753 -2.535 1.00 0.00 C ATOM 286 OH TYR A 19 -12.711 1.976 -1.176 1.00 0.00 O ATOM 0 H TYR A 19 -13.401 -1.950 -7.286 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.102 0.375 -6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.073 0.503 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.110 1.894 -7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.977 1.901 -5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.861 0.767 -5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.842 2.290 -2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.746 1.165 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.896 1.564 -0.821 1.00 0.00 H new ATOM 296 N GLY A 20 -13.393 -0.448 -9.268 1.00 0.00 N ATOM 297 CA GLY A 20 -13.465 -0.530 -10.747 1.00 0.00 C ATOM 298 C GLY A 20 -12.499 -1.601 -11.224 1.00 0.00 C ATOM 299 O GLY A 20 -12.229 -1.724 -12.401 1.00 0.00 O ATOM 0 H GLY A 20 -12.511 -0.761 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.480 -0.769 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.211 0.432 -11.191 1.00 0.00 H new ATOM 303 N VAL A 21 -11.995 -2.367 -10.282 1.00 0.00 N ATOM 304 CA VAL A 21 -11.038 -3.445 -10.640 1.00 0.00 C ATOM 305 C VAL A 21 -11.035 -4.555 -9.616 1.00 0.00 C ATOM 306 O VAL A 21 -11.617 -4.447 -8.555 1.00 0.00 O ATOM 307 CB VAL A 21 -9.600 -2.854 -10.672 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.450 -1.931 -11.890 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.303 -2.056 -9.339 1.00 0.00 C ATOM 0 H VAL A 21 -12.209 -2.287 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.342 -3.844 -11.608 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.881 -3.670 -10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.442 -1.517 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.628 -2.501 -12.802 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.174 -1.119 -11.822 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.293 -1.648 -9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.020 -1.241 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.392 -2.728 -8.485 1.00 0.00 H new ATOM 319 N TRP A 22 -10.360 -5.606 -9.970 1.00 0.00 N ATOM 320 CA TRP A 22 -10.258 -6.781 -9.066 1.00 0.00 C ATOM 321 C TRP A 22 -8.970 -6.649 -8.277 1.00 0.00 C ATOM 322 O TRP A 22 -7.946 -7.175 -8.664 1.00 0.00 O ATOM 323 CB TRP A 22 -10.203 -8.047 -9.940 1.00 0.00 C ATOM 324 CG TRP A 22 -11.468 -8.112 -10.793 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.581 -7.512 -11.956 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.585 -8.734 -10.463 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.838 -7.785 -12.343 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.548 -8.561 -11.448 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.896 -9.483 -9.337 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.797 -9.125 -11.310 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.151 -10.047 -9.206 1.00 0.00 C ATOM 332 CH2 TRP A 22 -15.098 -9.868 -10.190 1.00 0.00 C ATOM 0 H TRP A 22 -9.868 -5.704 -10.858 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.107 -6.839 -8.384 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.319 -8.027 -10.577 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.125 -8.935 -9.313 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.835 -6.933 -12.480 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.233 -7.449 -13.221 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.157 -9.625 -8.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.541 -8.985 -12.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.390 -10.630 -8.329 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -16.077 -10.311 -10.083 1.00 0.00 H new ATOM 343 N SER A 23 -9.045 -5.935 -7.169 1.00 0.00 N ATOM 344 CA SER A 23 -7.829 -5.734 -6.318 1.00 0.00 C ATOM 345 C SER A 23 -7.866 -6.545 -5.040 1.00 0.00 C ATOM 346 O SER A 23 -8.912 -6.925 -4.556 1.00 0.00 O ATOM 347 CB SER A 23 -7.719 -4.219 -5.979 1.00 0.00 C ATOM 348 OG SER A 23 -8.930 -3.655 -6.466 1.00 0.00 O ATOM 0 H SER A 23 -9.894 -5.487 -6.823 1.00 0.00 H new ATOM 0 HA SER A 23 -6.960 -6.079 -6.878 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.610 -4.059 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.850 -3.767 -6.458 1.00 0.00 H new ATOM 0 HG SER A 23 -8.938 -2.692 -6.286 1.00 0.00 H new ATOM 354 N CYS A 24 -6.696 -6.777 -4.516 1.00 0.00 N ATOM 355 CA CYS A 24 -6.593 -7.563 -3.260 1.00 0.00 C ATOM 356 C CYS A 24 -7.006 -6.718 -2.058 1.00 0.00 C ATOM 357 O CYS A 24 -6.754 -5.529 -2.009 1.00 0.00 O ATOM 358 CB CYS A 24 -5.130 -8.042 -3.094 1.00 0.00 C ATOM 359 SG CYS A 24 -3.920 -6.893 -2.383 1.00 0.00 S ATOM 0 H CYS A 24 -5.809 -6.456 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.264 -8.421 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.143 -8.937 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.765 -8.342 -4.077 1.00 0.00 H new ATOM 364 N GLU A 25 -7.636 -7.356 -1.107 1.00 0.00 N ATOM 365 CA GLU A 25 -8.087 -6.624 0.109 1.00 0.00 C ATOM 366 C GLU A 25 -7.002 -5.706 0.655 1.00 0.00 C ATOM 367 O GLU A 25 -7.218 -4.523 0.833 1.00 0.00 O ATOM 368 CB GLU A 25 -8.449 -7.665 1.188 1.00 0.00 C ATOM 369 CG GLU A 25 -9.328 -7.005 2.256 1.00 0.00 C ATOM 370 CD GLU A 25 -10.706 -6.692 1.664 1.00 0.00 C ATOM 371 OE1 GLU A 25 -11.009 -7.294 0.647 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.377 -5.868 2.262 1.00 0.00 O ATOM 0 H GLU A 25 -7.857 -8.352 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.944 -6.005 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.976 -8.506 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.542 -8.064 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.432 -7.667 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.858 -6.089 2.614 1.00 0.00 H new ATOM 379 N GLY A 26 -5.861 -6.265 0.914 1.00 0.00 N ATOM 380 CA GLY A 26 -4.739 -5.437 1.456 1.00 0.00 C ATOM 381 C GLY A 26 -4.630 -4.097 0.720 1.00 0.00 C ATOM 382 O GLY A 26 -4.386 -3.074 1.327 1.00 0.00 O ATOM 0 H GLY A 26 -5.649 -7.253 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.897 -5.258 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.801 -5.984 1.360 1.00 0.00 H new ATOM 386 N CYS A 27 -4.812 -4.128 -0.572 1.00 0.00 N ATOM 387 CA CYS A 27 -4.720 -2.863 -1.346 1.00 0.00 C ATOM 388 C CYS A 27 -5.954 -2.005 -1.130 1.00 0.00 C ATOM 389 O CYS A 27 -5.847 -0.820 -0.955 1.00 0.00 O ATOM 390 CB CYS A 27 -4.570 -3.215 -2.835 1.00 0.00 C ATOM 391 SG CYS A 27 -2.903 -3.598 -3.395 1.00 0.00 S ATOM 0 H CYS A 27 -5.018 -4.965 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.857 -2.291 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.209 -4.071 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.946 -2.379 -3.425 1.00 0.00 H new ATOM 396 N LYS A 28 -7.102 -2.603 -1.163 1.00 0.00 N ATOM 397 CA LYS A 28 -8.323 -1.790 -0.950 1.00 0.00 C ATOM 398 C LYS A 28 -8.202 -1.110 0.403 1.00 0.00 C ATOM 399 O LYS A 28 -8.570 0.014 0.561 1.00 0.00 O ATOM 400 CB LYS A 28 -9.561 -2.739 -0.955 1.00 0.00 C ATOM 401 CG LYS A 28 -10.756 -2.068 -0.233 1.00 0.00 C ATOM 402 CD LYS A 28 -12.035 -2.863 -0.518 1.00 0.00 C ATOM 403 CE LYS A 28 -13.112 -2.481 0.504 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.416 -1.024 0.422 1.00 0.00 N ATOM 0 H LYS A 28 -7.250 -3.599 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.439 -1.042 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.837 -2.982 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.310 -3.678 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.571 -2.029 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.870 -1.039 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.387 -2.656 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.831 -3.932 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.018 -3.058 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.773 -2.732 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.628 -0.660 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.594 -0.519 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.238 -0.875 -0.197 1.00 0.00 H new ATOM 418 N ALA A 29 -7.678 -1.827 1.354 1.00 0.00 N ATOM 419 CA ALA A 29 -7.522 -1.238 2.702 1.00 0.00 C ATOM 420 C ALA A 29 -6.586 -0.043 2.635 1.00 0.00 C ATOM 421 O ALA A 29 -6.965 1.069 2.943 1.00 0.00 O ATOM 422 CB ALA A 29 -6.919 -2.310 3.635 1.00 0.00 C ATOM 0 H ALA A 29 -7.354 -2.789 1.254 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.490 -0.909 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.796 -1.894 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.586 -3.171 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.948 -2.623 3.250 1.00 0.00 H new ATOM 428 N PHE A 30 -5.379 -0.299 2.235 1.00 0.00 N ATOM 429 CA PHE A 30 -4.393 0.802 2.134 1.00 0.00 C ATOM 430 C PHE A 30 -4.931 1.895 1.255 1.00 0.00 C ATOM 431 O PHE A 30 -4.886 3.061 1.584 1.00 0.00 O ATOM 432 CB PHE A 30 -3.120 0.242 1.457 1.00 0.00 C ATOM 433 CG PHE A 30 -2.164 1.404 1.110 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.379 2.182 -0.029 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.104 1.718 1.944 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.549 3.252 -0.314 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.278 2.786 1.653 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.504 3.550 0.530 1.00 0.00 C ATOM 0 H PHE A 30 -5.032 -1.222 1.974 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.184 1.196 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.623 -0.465 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.387 -0.305 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.198 1.947 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.922 1.124 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.721 3.851 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.547 3.023 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.142 4.387 0.311 1.00 0.00 H new ATOM 448 N PHE A 31 -5.422 1.486 0.152 1.00 0.00 N ATOM 449 CA PHE A 31 -5.975 2.444 -0.800 1.00 0.00 C ATOM 450 C PHE A 31 -7.127 3.229 -0.191 1.00 0.00 C ATOM 451 O PHE A 31 -7.178 4.422 -0.327 1.00 0.00 O ATOM 452 CB PHE A 31 -6.458 1.634 -2.007 1.00 0.00 C ATOM 453 CG PHE A 31 -6.969 2.567 -3.107 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.187 3.594 -3.588 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.254 2.432 -3.574 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.689 4.479 -4.507 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.770 3.308 -4.482 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.980 4.341 -4.958 1.00 0.00 C ATOM 0 H PHE A 31 -5.466 0.509 -0.139 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.219 3.174 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.643 1.021 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.252 0.953 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.171 3.703 -3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.866 1.618 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.071 5.284 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.787 3.197 -4.828 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.378 5.037 -5.682 1.00 0.00 H new ATOM 468 N LYS A 32 -8.016 2.550 0.486 1.00 0.00 N ATOM 469 CA LYS A 32 -9.170 3.273 1.107 1.00 0.00 C ATOM 470 C LYS A 32 -8.729 4.024 2.351 1.00 0.00 C ATOM 471 O LYS A 32 -9.508 4.724 2.967 1.00 0.00 O ATOM 472 CB LYS A 32 -10.271 2.250 1.498 1.00 0.00 C ATOM 473 CG LYS A 32 -11.630 2.957 1.527 1.00 0.00 C ATOM 474 CD LYS A 32 -12.704 1.960 1.970 1.00 0.00 C ATOM 475 CE LYS A 32 -14.083 2.608 1.826 1.00 0.00 C ATOM 476 NZ LYS A 32 -15.111 1.815 2.556 1.00 0.00 N ATOM 0 H LYS A 32 -7.996 1.541 0.636 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.559 3.988 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.291 1.428 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.052 1.818 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.598 3.805 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.869 3.353 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.649 1.055 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.536 1.662 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.056 3.626 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.350 2.678 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.041 2.269 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.148 0.852 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.863 1.770 3.565 1.00 0.00 H new ATOM 490 N ARG A 33 -7.480 3.865 2.700 1.00 0.00 N ATOM 491 CA ARG A 33 -6.956 4.562 3.907 1.00 0.00 C ATOM 492 C ARG A 33 -6.242 5.859 3.547 1.00 0.00 C ATOM 493 O ARG A 33 -6.010 6.689 4.405 1.00 0.00 O ATOM 494 CB ARG A 33 -5.937 3.636 4.572 1.00 0.00 C ATOM 495 CG ARG A 33 -5.380 4.314 5.828 1.00 0.00 C ATOM 496 CD ARG A 33 -4.650 3.274 6.683 1.00 0.00 C ATOM 497 NE ARG A 33 -3.784 3.981 7.667 1.00 0.00 N ATOM 498 CZ ARG A 33 -2.717 4.604 7.249 1.00 0.00 C ATOM 499 NH1 ARG A 33 -1.673 3.903 6.900 1.00 0.00 N ATOM 500 NH2 ARG A 33 -2.729 5.907 7.194 1.00 0.00 N ATOM 0 H ARG A 33 -6.804 3.285 2.203 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.794 4.800 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.407 2.688 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.128 3.409 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.697 5.117 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.190 4.768 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.369 2.640 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.048 2.622 6.051 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.023 3.978 8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.700 2.885 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.830 4.373 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.564 6.422 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.904 6.411 6.870 1.00 0.00 H new ATOM 514 N SER A 34 -5.899 6.025 2.283 1.00 0.00 N ATOM 515 CA SER A 34 -5.187 7.293 1.881 1.00 0.00 C ATOM 516 C SER A 34 -5.620 7.834 0.530 1.00 0.00 C ATOM 517 O SER A 34 -5.078 8.825 0.089 1.00 0.00 O ATOM 518 CB SER A 34 -3.705 6.959 1.771 1.00 0.00 C ATOM 519 OG SER A 34 -3.068 8.229 1.810 1.00 0.00 O ATOM 0 H SER A 34 -6.075 5.358 1.531 1.00 0.00 H new ATOM 0 HA SER A 34 -5.419 8.050 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.377 6.321 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.482 6.428 0.846 1.00 0.00 H new ATOM 0 HG SER A 34 -2.159 8.150 1.452 1.00 0.00 H new ATOM 525 N ILE A 35 -6.565 7.173 -0.102 1.00 0.00 N ATOM 526 CA ILE A 35 -7.059 7.643 -1.468 1.00 0.00 C ATOM 527 C ILE A 35 -6.551 9.023 -1.856 1.00 0.00 C ATOM 528 O ILE A 35 -5.422 9.139 -2.271 1.00 0.00 O ATOM 529 CB ILE A 35 -8.611 7.663 -1.538 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.207 6.309 -1.147 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.021 7.983 -2.998 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.929 5.227 -2.247 1.00 0.00 C ATOM 0 H ILE A 35 -7.021 6.333 0.255 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.654 6.917 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.985 8.413 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.783 5.983 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.282 6.412 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.108 8.003 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.619 8.955 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.624 7.216 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.365 4.276 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.375 5.543 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.853 5.108 -2.377 1.00 0.00 H new ATOM 544 N GLN A 36 -7.399 10.046 -1.708 1.00 0.00 N ATOM 545 CA GLN A 36 -6.992 11.458 -2.072 1.00 0.00 C ATOM 546 C GLN A 36 -5.508 11.611 -2.303 1.00 0.00 C ATOM 547 O GLN A 36 -4.694 11.184 -1.508 1.00 0.00 O ATOM 548 CB GLN A 36 -7.386 12.417 -0.968 1.00 0.00 C ATOM 549 CG GLN A 36 -8.898 12.323 -0.710 1.00 0.00 C ATOM 550 CD GLN A 36 -9.658 13.078 -1.809 1.00 0.00 C ATOM 551 OE1 GLN A 36 -10.867 13.198 -1.769 1.00 0.00 O ATOM 552 NE2 GLN A 36 -8.991 13.601 -2.802 1.00 0.00 N ATOM 0 H GLN A 36 -8.350 9.956 -1.351 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.510 11.684 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.837 12.181 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.118 13.436 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.209 11.279 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.137 12.745 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.976 13.504 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.485 14.106 -3.538 1.00 0.00 H new ATOM 561 N GLY A 37 -5.189 12.254 -3.362 1.00 0.00 N ATOM 562 CA GLY A 37 -3.758 12.456 -3.682 1.00 0.00 C ATOM 563 C GLY A 37 -3.181 13.506 -2.737 1.00 0.00 C ATOM 564 O GLY A 37 -2.928 14.630 -3.124 1.00 0.00 O ATOM 0 H GLY A 37 -5.850 12.654 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.213 11.517 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.646 12.779 -4.717 1.00 0.00 H new ATOM 568 N HIS A 38 -2.988 13.109 -1.512 1.00 0.00 N ATOM 569 CA HIS A 38 -2.428 14.054 -0.489 1.00 0.00 C ATOM 570 C HIS A 38 -1.415 13.361 0.393 1.00 0.00 C ATOM 571 O HIS A 38 -0.965 12.274 0.090 1.00 0.00 O ATOM 572 CB HIS A 38 -3.589 14.551 0.390 1.00 0.00 C ATOM 573 CG HIS A 38 -4.478 15.488 -0.429 1.00 0.00 C ATOM 574 ND1 HIS A 38 -5.100 15.160 -1.461 1.00 0.00 N ATOM 575 CD2 HIS A 38 -4.773 16.823 -0.230 1.00 0.00 C ATOM 576 CE1 HIS A 38 -5.757 16.135 -1.938 1.00 0.00 C ATOM 577 NE2 HIS A 38 -5.610 17.248 -1.217 1.00 0.00 N ATOM 0 H HIS A 38 -3.192 12.171 -1.168 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.934 14.880 -1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.172 13.705 0.755 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.201 15.072 1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.399 17.433 0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.366 16.071 -2.827 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.016 18.172 -1.365 1.00 0.00 H new ATOM 585 N ASN A 39 -1.066 14.013 1.463 1.00 0.00 N ATOM 586 CA ASN A 39 -0.075 13.418 2.397 1.00 0.00 C ATOM 587 C ASN A 39 1.256 13.234 1.694 1.00 0.00 C ATOM 588 O ASN A 39 1.314 13.195 0.481 1.00 0.00 O ATOM 589 CB ASN A 39 -0.601 12.060 2.865 1.00 0.00 C ATOM 590 CG ASN A 39 0.100 11.661 4.169 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.509 11.596 5.219 1.00 0.00 O ATOM 592 ND2 ASN A 39 1.376 11.388 4.145 1.00 0.00 N ATOM 0 H ASN A 39 -1.423 14.930 1.731 1.00 0.00 H new ATOM 0 HA ASN A 39 0.070 14.079 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.679 12.109 3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.423 11.306 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.857 11.122 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.892 11.441 3.267 1.00 0.00 H new ATOM 599 N ASP A 40 2.306 13.123 2.454 1.00 0.00 N ATOM 600 CA ASP A 40 3.632 12.942 1.809 1.00 0.00 C ATOM 601 C ASP A 40 3.772 11.538 1.329 1.00 0.00 C ATOM 602 O ASP A 40 4.157 10.648 2.061 1.00 0.00 O ATOM 603 CB ASP A 40 4.732 13.206 2.791 1.00 0.00 C ATOM 604 CG ASP A 40 4.554 14.595 3.407 1.00 0.00 C ATOM 605 OD1 ASP A 40 4.534 15.534 2.628 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.447 14.638 4.622 1.00 0.00 O ATOM 0 H ASP A 40 2.306 13.149 3.474 1.00 0.00 H new ATOM 0 HA ASP A 40 3.702 13.641 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.723 12.447 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.700 13.140 2.294 1.00 0.00 H new ATOM 611 N TYR A 41 3.455 11.369 0.106 1.00 0.00 N ATOM 612 CA TYR A 41 3.532 10.016 -0.537 1.00 0.00 C ATOM 613 C TYR A 41 4.539 10.038 -1.672 1.00 0.00 C ATOM 614 O TYR A 41 4.172 10.249 -2.809 1.00 0.00 O ATOM 615 CB TYR A 41 2.131 9.673 -1.151 1.00 0.00 C ATOM 616 CG TYR A 41 1.222 8.978 -0.117 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.107 9.466 1.160 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.487 7.862 -0.474 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.285 8.870 2.077 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.362 7.247 0.455 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.455 7.753 1.743 1.00 0.00 C ATOM 622 OH TYR A 41 -1.225 7.126 2.690 1.00 0.00 O ATOM 0 H TYR A 41 3.135 12.115 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 41 3.828 9.281 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.652 10.587 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.260 9.026 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.676 10.338 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.568 7.463 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.214 9.278 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.942 6.382 0.169 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.922 7.740 3.004 1.00 0.00 H new ATOM 632 N MET A 42 5.782 9.814 -1.366 1.00 0.00 N ATOM 633 CA MET A 42 6.797 9.824 -2.453 1.00 0.00 C ATOM 634 C MET A 42 7.991 8.955 -2.099 1.00 0.00 C ATOM 635 O MET A 42 8.521 9.008 -1.006 1.00 0.00 O ATOM 636 CB MET A 42 7.276 11.294 -2.692 1.00 0.00 C ATOM 637 CG MET A 42 6.687 11.828 -4.008 1.00 0.00 C ATOM 638 SD MET A 42 6.873 13.597 -4.349 1.00 0.00 S ATOM 639 CE MET A 42 8.570 13.532 -4.971 1.00 0.00 C ATOM 0 H MET A 42 6.137 9.627 -0.428 1.00 0.00 H new ATOM 0 HA MET A 42 6.340 9.422 -3.357 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.965 11.927 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.365 11.330 -2.730 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.145 11.277 -4.830 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.623 11.593 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.895 14.535 -5.246 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.227 13.137 -4.196 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.612 12.884 -5.846 1.00 0.00 H new ATOM 649 N CYS A 43 8.372 8.174 -3.048 1.00 0.00 N ATOM 650 CA CYS A 43 9.534 7.258 -2.860 1.00 0.00 C ATOM 651 C CYS A 43 10.845 8.002 -3.232 1.00 0.00 C ATOM 652 O CYS A 43 10.802 9.061 -3.825 1.00 0.00 O ATOM 653 CB CYS A 43 9.310 6.024 -3.795 1.00 0.00 C ATOM 654 SG CYS A 43 9.048 4.426 -2.986 1.00 0.00 S ATOM 0 H CYS A 43 7.929 8.122 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 43 9.618 6.930 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.447 6.230 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.175 5.934 -4.453 1.00 0.00 H new ATOM 659 N PRO A 44 11.990 7.428 -2.872 1.00 0.00 N ATOM 660 CA PRO A 44 13.280 8.056 -3.177 1.00 0.00 C ATOM 661 C PRO A 44 13.408 8.448 -4.663 1.00 0.00 C ATOM 662 O PRO A 44 14.390 9.044 -5.059 1.00 0.00 O ATOM 663 CB PRO A 44 14.350 6.985 -2.792 1.00 0.00 C ATOM 664 CG PRO A 44 13.588 5.803 -2.095 1.00 0.00 C ATOM 665 CD PRO A 44 12.073 6.138 -2.151 1.00 0.00 C ATOM 0 HA PRO A 44 13.401 8.988 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.879 6.633 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.097 7.410 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.793 4.861 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.919 5.687 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.516 5.359 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.650 6.218 -1.150 1.00 0.00 H new ATOM 673 N ALA A 45 12.424 8.109 -5.452 1.00 0.00 N ATOM 674 CA ALA A 45 12.500 8.464 -6.891 1.00 0.00 C ATOM 675 C ALA A 45 11.171 8.312 -7.505 1.00 0.00 C ATOM 676 O ALA A 45 10.826 8.998 -8.448 1.00 0.00 O ATOM 677 CB ALA A 45 13.478 7.518 -7.581 1.00 0.00 C ATOM 0 H ALA A 45 11.583 7.608 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 45 12.836 9.496 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.542 7.770 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.463 7.616 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.129 6.491 -7.473 1.00 0.00 H new ATOM 683 N THR A 46 10.432 7.417 -6.972 1.00 0.00 N ATOM 684 CA THR A 46 9.089 7.186 -7.497 1.00 0.00 C ATOM 685 C THR A 46 9.150 6.596 -8.914 1.00 0.00 C ATOM 686 O THR A 46 8.159 6.523 -9.608 1.00 0.00 O ATOM 687 CB THR A 46 8.338 8.577 -7.456 1.00 0.00 C ATOM 688 OG1 THR A 46 7.180 8.341 -6.686 1.00 0.00 O ATOM 689 CG2 THR A 46 7.784 9.042 -8.832 1.00 0.00 C ATOM 0 H THR A 46 10.702 6.827 -6.185 1.00 0.00 H new ATOM 0 HA THR A 46 8.547 6.455 -6.897 1.00 0.00 H new ATOM 0 HB THR A 46 9.041 9.325 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.660 9.169 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.284 10.004 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.607 9.143 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.073 8.305 -9.206 1.00 0.00 H new ATOM 697 N ASN A 47 10.316 6.165 -9.300 1.00 0.00 N ATOM 698 CA ASN A 47 10.468 5.578 -10.665 1.00 0.00 C ATOM 699 C ASN A 47 11.672 4.643 -10.732 1.00 0.00 C ATOM 700 O ASN A 47 12.566 4.835 -11.532 1.00 0.00 O ATOM 701 CB ASN A 47 10.676 6.725 -11.666 1.00 0.00 C ATOM 702 CG ASN A 47 11.805 7.631 -11.173 1.00 0.00 C ATOM 703 OD1 ASN A 47 12.886 7.178 -10.853 1.00 0.00 O ATOM 704 ND2 ASN A 47 11.598 8.918 -11.097 1.00 0.00 N ATOM 0 H ASN A 47 11.166 6.192 -8.737 1.00 0.00 H new ATOM 0 HA ASN A 47 9.572 5.004 -10.903 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.920 6.324 -12.650 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.756 7.299 -11.775 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.341 9.536 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.693 9.306 -11.364 1.00 0.00 H new ATOM 711 N GLN A 48 11.669 3.646 -9.889 1.00 0.00 N ATOM 712 CA GLN A 48 12.801 2.683 -9.882 1.00 0.00 C ATOM 713 C GLN A 48 12.499 1.521 -8.948 1.00 0.00 C ATOM 714 O GLN A 48 13.362 0.725 -8.639 1.00 0.00 O ATOM 715 CB GLN A 48 14.066 3.411 -9.379 1.00 0.00 C ATOM 716 CG GLN A 48 13.865 3.853 -7.913 1.00 0.00 C ATOM 717 CD GLN A 48 14.197 2.691 -6.961 1.00 0.00 C ATOM 718 OE1 GLN A 48 13.511 2.458 -5.986 1.00 0.00 O ATOM 719 NE2 GLN A 48 15.239 1.943 -7.209 1.00 0.00 N ATOM 0 H GLN A 48 10.933 3.459 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 48 12.953 2.299 -10.891 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.931 2.752 -9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.271 4.279 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.503 4.708 -7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.835 4.176 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.820 2.132 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.472 1.170 -6.586 1.00 0.00 H new ATOM 728 N CYS A 49 11.263 1.449 -8.512 1.00 0.00 N ATOM 729 CA CYS A 49 10.856 0.347 -7.587 1.00 0.00 C ATOM 730 C CYS A 49 9.498 -0.233 -7.994 1.00 0.00 C ATOM 731 O CYS A 49 8.562 0.495 -8.264 1.00 0.00 O ATOM 732 CB CYS A 49 10.745 0.951 -6.167 1.00 0.00 C ATOM 733 SG CYS A 49 10.149 2.659 -6.044 1.00 0.00 S ATOM 0 H CYS A 49 10.521 2.105 -8.757 1.00 0.00 H new ATOM 0 HA CYS A 49 11.592 -0.456 -7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.080 0.317 -5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.728 0.901 -5.700 1.00 0.00 H new ATOM 738 N THR A 50 9.423 -1.541 -8.030 1.00 0.00 N ATOM 739 CA THR A 50 8.141 -2.204 -8.415 1.00 0.00 C ATOM 740 C THR A 50 7.304 -2.488 -7.176 1.00 0.00 C ATOM 741 O THR A 50 7.831 -2.868 -6.150 1.00 0.00 O ATOM 742 CB THR A 50 8.474 -3.535 -9.095 1.00 0.00 C ATOM 743 OG1 THR A 50 9.331 -3.202 -10.169 1.00 0.00 O ATOM 744 CG2 THR A 50 7.230 -4.133 -9.765 1.00 0.00 C ATOM 0 H THR A 50 10.191 -2.175 -7.810 1.00 0.00 H new ATOM 0 HA THR A 50 7.580 -1.551 -9.084 1.00 0.00 H new ATOM 0 HB THR A 50 8.885 -4.231 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.585 -4.017 -10.649 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.492 -5.078 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.460 -4.307 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.853 -3.440 -10.517 1.00 0.00 H new ATOM 752 N ILE A 51 6.006 -2.301 -7.283 1.00 0.00 N ATOM 753 CA ILE A 51 5.127 -2.563 -6.100 1.00 0.00 C ATOM 754 C ILE A 51 4.691 -4.033 -6.068 1.00 0.00 C ATOM 755 O ILE A 51 4.336 -4.607 -7.079 1.00 0.00 O ATOM 756 CB ILE A 51 3.878 -1.582 -6.192 1.00 0.00 C ATOM 757 CG1 ILE A 51 3.926 -0.562 -5.050 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.513 -2.353 -6.102 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.637 -1.252 -3.694 1.00 0.00 C ATOM 0 H ILE A 51 5.526 -1.983 -8.125 1.00 0.00 H new ATOM 0 HA ILE A 51 5.668 -2.376 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 51 3.937 -1.085 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.906 -0.086 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.194 0.226 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.689 -1.643 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.444 -3.068 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.457 -2.885 -5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.675 -0.513 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.647 -1.707 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.385 -2.023 -3.511 1.00 0.00 H new ATOM 771 N ASP A 52 4.733 -4.606 -4.892 1.00 0.00 N ATOM 772 CA ASP A 52 4.334 -6.029 -4.740 1.00 0.00 C ATOM 773 C ASP A 52 3.881 -6.297 -3.300 1.00 0.00 C ATOM 774 O ASP A 52 2.925 -5.711 -2.833 1.00 0.00 O ATOM 775 CB ASP A 52 5.555 -6.910 -5.062 1.00 0.00 C ATOM 776 CG ASP A 52 5.127 -8.379 -5.082 1.00 0.00 C ATOM 777 OD1 ASP A 52 4.034 -8.633 -4.601 1.00 0.00 O ATOM 778 OD2 ASP A 52 5.917 -9.166 -5.577 1.00 0.00 O ATOM 0 H ASP A 52 5.028 -4.145 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 52 3.509 -6.256 -5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.976 -6.629 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.335 -6.757 -4.317 1.00 0.00 H new ATOM 783 N LYS A 53 4.577 -7.175 -2.621 1.00 0.00 N ATOM 784 CA LYS A 53 4.199 -7.488 -1.214 1.00 0.00 C ATOM 785 C LYS A 53 2.685 -7.629 -1.067 1.00 0.00 C ATOM 786 O LYS A 53 2.020 -8.132 -1.949 1.00 0.00 O ATOM 787 CB LYS A 53 4.675 -6.334 -0.312 1.00 0.00 C ATOM 788 CG LYS A 53 6.165 -6.056 -0.571 1.00 0.00 C ATOM 789 CD LYS A 53 7.000 -7.281 -0.149 1.00 0.00 C ATOM 790 CE LYS A 53 8.454 -6.853 0.074 1.00 0.00 C ATOM 791 NZ LYS A 53 9.269 -8.006 0.554 1.00 0.00 N ATOM 0 H LYS A 53 5.385 -7.684 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 53 4.665 -8.431 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.088 -5.438 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.520 -6.591 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.327 -5.839 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.484 -5.176 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.593 -7.715 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.950 -8.052 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.872 -6.466 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.494 -6.043 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.252 -7.699 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.879 -8.357 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.246 -8.767 -0.155 1.00 0.00 H new ATOM 805 N ASN A 54 2.167 -7.178 0.047 1.00 0.00 N ATOM 806 CA ASN A 54 0.704 -7.281 0.260 1.00 0.00 C ATOM 807 C ASN A 54 0.273 -6.507 1.502 1.00 0.00 C ATOM 808 O ASN A 54 -0.904 -6.312 1.734 1.00 0.00 O ATOM 809 CB ASN A 54 0.357 -8.762 0.462 1.00 0.00 C ATOM 810 CG ASN A 54 -1.159 -8.947 0.362 1.00 0.00 C ATOM 811 OD1 ASN A 54 -1.804 -8.410 -0.515 1.00 0.00 O ATOM 812 ND2 ASN A 54 -1.764 -9.699 1.241 1.00 0.00 N ATOM 0 H ASN A 54 2.693 -6.748 0.808 1.00 0.00 H new ATOM 0 HA ASN A 54 0.188 -6.863 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.859 -9.370 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.712 -9.101 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.774 -9.833 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.227 -10.153 1.980 1.00 0.00 H new ATOM 819 N ARG A 55 1.238 -6.075 2.285 1.00 0.00 N ATOM 820 CA ARG A 55 0.913 -5.313 3.515 1.00 0.00 C ATOM 821 C ARG A 55 1.091 -3.826 3.278 1.00 0.00 C ATOM 822 O ARG A 55 0.248 -3.182 2.691 1.00 0.00 O ATOM 823 CB ARG A 55 1.874 -5.803 4.633 1.00 0.00 C ATOM 824 CG ARG A 55 1.584 -5.046 5.952 1.00 0.00 C ATOM 825 CD ARG A 55 2.013 -5.912 7.147 1.00 0.00 C ATOM 826 NE ARG A 55 1.209 -7.170 7.147 1.00 0.00 N ATOM 827 CZ ARG A 55 1.643 -8.209 7.809 1.00 0.00 C ATOM 828 NH1 ARG A 55 1.387 -8.296 9.086 1.00 0.00 N ATOM 829 NH2 ARG A 55 2.316 -9.127 7.170 1.00 0.00 N ATOM 0 H ARG A 55 2.233 -6.222 2.117 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.125 -5.478 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.751 -6.875 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.909 -5.641 4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.122 -4.098 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.522 -4.811 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.076 -6.144 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.862 -5.368 8.080 1.00 0.00 H new ATOM 0 HE ARG A 55 0.328 -7.218 6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.856 -7.560 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.718 -9.100 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.495 -9.026 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.663 -9.946 7.670 1.00 0.00 H new ATOM 843 N ARG A 56 2.181 -3.334 3.717 1.00 0.00 N ATOM 844 CA ARG A 56 2.484 -1.875 3.548 1.00 0.00 C ATOM 845 C ARG A 56 3.796 -1.512 4.242 1.00 0.00 C ATOM 846 O ARG A 56 3.936 -0.430 4.776 1.00 0.00 O ATOM 847 CB ARG A 56 1.350 -1.042 4.197 1.00 0.00 C ATOM 848 CG ARG A 56 1.030 -1.615 5.580 1.00 0.00 C ATOM 849 CD ARG A 56 0.179 -0.610 6.359 1.00 0.00 C ATOM 850 NE ARG A 56 -0.019 -1.115 7.747 1.00 0.00 N ATOM 851 CZ ARG A 56 0.944 -0.990 8.621 1.00 0.00 C ATOM 852 NH1 ARG A 56 1.342 0.208 8.956 1.00 0.00 N ATOM 853 NH2 ARG A 56 1.477 -2.067 9.130 1.00 0.00 N ATOM 0 H ARG A 56 2.904 -3.870 4.198 1.00 0.00 H new ATOM 0 HA ARG A 56 2.565 -1.661 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.654 0.001 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.461 -1.064 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.497 -2.560 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.952 -1.825 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.670 0.363 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.784 -0.472 5.868 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.900 -1.555 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.902 1.027 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.093 0.324 9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.141 -2.987 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.230 -1.989 9.814 1.00 0.00 H new ATOM 867 N LYS A 57 4.740 -2.428 4.220 1.00 0.00 N ATOM 868 CA LYS A 57 6.063 -2.162 4.878 1.00 0.00 C ATOM 869 C LYS A 57 7.157 -1.954 3.839 1.00 0.00 C ATOM 870 O LYS A 57 8.244 -2.482 3.969 1.00 0.00 O ATOM 871 CB LYS A 57 6.427 -3.389 5.730 1.00 0.00 C ATOM 872 CG LYS A 57 6.230 -4.660 4.895 1.00 0.00 C ATOM 873 CD LYS A 57 6.935 -5.836 5.584 1.00 0.00 C ATOM 874 CE LYS A 57 6.452 -5.946 7.037 1.00 0.00 C ATOM 875 NZ LYS A 57 7.145 -4.943 7.895 1.00 0.00 N ATOM 0 H LYS A 57 4.652 -3.343 3.778 1.00 0.00 H new ATOM 0 HA LYS A 57 5.984 -1.261 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.461 -3.318 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.802 -3.425 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.167 -4.874 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.634 -4.516 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.726 -6.762 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.015 -5.691 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.374 -5.788 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.643 -6.950 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.455 -5.397 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.973 -4.567 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.491 -4.165 8.116 1.00 0.00 H new ATOM 889 N SER A 58 6.856 -1.187 2.825 1.00 0.00 N ATOM 890 CA SER A 58 7.879 -0.942 1.773 1.00 0.00 C ATOM 891 C SER A 58 7.510 0.267 0.910 1.00 0.00 C ATOM 892 O SER A 58 7.740 1.399 1.289 1.00 0.00 O ATOM 893 CB SER A 58 7.954 -2.190 0.874 1.00 0.00 C ATOM 894 OG SER A 58 8.451 -3.208 1.728 1.00 0.00 O ATOM 0 H SER A 58 5.958 -0.726 2.682 1.00 0.00 H new ATOM 0 HA SER A 58 8.837 -0.740 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.975 -2.451 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.615 -2.028 0.022 1.00 0.00 H new ATOM 0 HG SER A 58 8.806 -2.804 2.547 1.00 0.00 H new ATOM 900 N CYS A 59 6.945 0.000 -0.240 1.00 0.00 N ATOM 901 CA CYS A 59 6.550 1.104 -1.153 1.00 0.00 C ATOM 902 C CYS A 59 5.131 1.554 -0.822 1.00 0.00 C ATOM 903 O CYS A 59 4.179 1.091 -1.409 1.00 0.00 O ATOM 904 CB CYS A 59 6.596 0.536 -2.598 1.00 0.00 C ATOM 905 SG CYS A 59 8.086 0.841 -3.583 1.00 0.00 S ATOM 0 H CYS A 59 6.742 -0.939 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 59 7.218 1.959 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.450 -0.543 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.745 0.943 -3.144 1.00 0.00 H new ATOM 910 N GLN A 60 5.017 2.448 0.108 1.00 0.00 N ATOM 911 CA GLN A 60 3.669 2.928 0.482 1.00 0.00 C ATOM 912 C GLN A 60 3.147 3.968 -0.494 1.00 0.00 C ATOM 913 O GLN A 60 1.996 3.946 -0.841 1.00 0.00 O ATOM 914 CB GLN A 60 3.748 3.554 1.900 1.00 0.00 C ATOM 915 CG GLN A 60 3.650 2.442 2.951 1.00 0.00 C ATOM 916 CD GLN A 60 3.867 3.035 4.346 1.00 0.00 C ATOM 917 OE1 GLN A 60 3.299 2.585 5.320 1.00 0.00 O ATOM 918 NE2 GLN A 60 4.683 4.046 4.487 1.00 0.00 N ATOM 0 H GLN A 60 5.793 2.865 0.623 1.00 0.00 H new ATOM 0 HA GLN A 60 2.983 2.081 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.684 4.100 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.940 4.273 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.673 1.961 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.396 1.672 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.164 4.430 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.839 4.451 5.410 1.00 0.00 H new ATOM 927 N ALA A 61 3.988 4.843 -0.961 1.00 0.00 N ATOM 928 CA ALA A 61 3.456 5.865 -1.917 1.00 0.00 C ATOM 929 C ALA A 61 3.199 5.285 -3.282 1.00 0.00 C ATOM 930 O ALA A 61 2.189 5.578 -3.890 1.00 0.00 O ATOM 931 CB ALA A 61 4.419 7.039 -2.049 1.00 0.00 C ATOM 0 H ALA A 61 4.982 4.902 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 61 2.508 6.211 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.010 7.768 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.556 7.508 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.380 6.681 -2.418 1.00 0.00 H new ATOM 937 N CYS A 62 4.089 4.472 -3.766 1.00 0.00 N ATOM 938 CA CYS A 62 3.837 3.909 -5.093 1.00 0.00 C ATOM 939 C CYS A 62 2.578 3.086 -5.032 1.00 0.00 C ATOM 940 O CYS A 62 1.912 2.926 -6.010 1.00 0.00 O ATOM 941 CB CYS A 62 5.014 3.022 -5.519 1.00 0.00 C ATOM 942 SG CYS A 62 6.628 3.817 -5.716 1.00 0.00 S ATOM 0 H CYS A 62 4.954 4.185 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 62 3.725 4.713 -5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.119 2.225 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.754 2.549 -6.466 1.00 0.00 H new ATOM 947 N ARG A 63 2.266 2.568 -3.866 1.00 0.00 N ATOM 948 CA ARG A 63 1.036 1.760 -3.765 1.00 0.00 C ATOM 949 C ARG A 63 -0.137 2.637 -4.140 1.00 0.00 C ATOM 950 O ARG A 63 -0.951 2.263 -4.948 1.00 0.00 O ATOM 951 CB ARG A 63 0.871 1.268 -2.303 1.00 0.00 C ATOM 952 CG ARG A 63 -0.387 0.367 -2.170 1.00 0.00 C ATOM 953 CD ARG A 63 -0.047 -1.070 -2.579 1.00 0.00 C ATOM 954 NE ARG A 63 1.055 -1.575 -1.706 1.00 0.00 N ATOM 955 CZ ARG A 63 1.245 -2.862 -1.588 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.229 -3.624 -1.286 1.00 0.00 N ATOM 957 NH2 ARG A 63 2.443 -3.344 -1.775 1.00 0.00 N ATOM 0 H ARG A 63 2.804 2.673 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 63 1.087 0.898 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.758 0.712 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.785 2.123 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.751 0.385 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.189 0.753 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.926 -1.707 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.257 -1.102 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 63 1.655 -0.919 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.694 -3.212 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.358 -4.631 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.214 -2.718 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.609 -4.347 -1.687 1.00 0.00 H new ATOM 971 N LEU A 64 -0.203 3.796 -3.535 1.00 0.00 N ATOM 972 CA LEU A 64 -1.318 4.717 -3.848 1.00 0.00 C ATOM 973 C LEU A 64 -1.326 5.037 -5.325 1.00 0.00 C ATOM 974 O LEU A 64 -2.254 4.723 -6.039 1.00 0.00 O ATOM 975 CB LEU A 64 -1.103 6.036 -3.097 1.00 0.00 C ATOM 976 CG LEU A 64 -2.310 6.982 -3.325 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.609 6.333 -2.769 1.00 0.00 C ATOM 978 CD2 LEU A 64 -2.039 8.300 -2.582 1.00 0.00 C ATOM 0 H LEU A 64 0.466 4.136 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.255 4.243 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.980 5.841 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.186 6.514 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.439 7.166 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.451 7.005 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.792 5.389 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.495 6.149 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.878 8.980 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.918 8.099 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.129 8.756 -2.971 1.00 0.00 H new ATOM 990 N ARG A 65 -0.279 5.682 -5.756 1.00 0.00 N ATOM 991 CA ARG A 65 -0.186 6.042 -7.180 1.00 0.00 C ATOM 992 C ARG A 65 -0.411 4.817 -8.034 1.00 0.00 C ATOM 993 O ARG A 65 -1.043 4.887 -9.066 1.00 0.00 O ATOM 994 CB ARG A 65 1.237 6.599 -7.449 1.00 0.00 C ATOM 995 CG ARG A 65 1.330 8.063 -6.969 1.00 0.00 C ATOM 996 CD ARG A 65 0.353 8.966 -7.771 1.00 0.00 C ATOM 997 NE ARG A 65 0.088 8.359 -9.113 1.00 0.00 N ATOM 998 CZ ARG A 65 0.930 8.566 -10.091 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.386 9.773 -10.285 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.286 7.559 -10.843 1.00 0.00 N ATOM 0 H ARG A 65 0.510 5.971 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.941 6.789 -7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.979 5.990 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.464 6.542 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.095 8.118 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.351 8.426 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.582 9.082 -7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.779 9.962 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.744 7.788 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.085 10.536 -9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.044 9.954 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.908 6.629 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.942 7.703 -11.611 1.00 0.00 H new ATOM 1014 N LYS A 66 0.113 3.706 -7.596 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.079 2.489 -8.385 1.00 0.00 C ATOM 1016 C LYS A 66 -1.523 2.123 -8.299 1.00 0.00 C ATOM 1017 O LYS A 66 -2.080 1.617 -9.227 1.00 0.00 O ATOM 1018 CB LYS A 66 0.786 1.344 -7.799 1.00 0.00 C ATOM 1019 CG LYS A 66 0.533 0.034 -8.575 1.00 0.00 C ATOM 1020 CD LYS A 66 0.947 0.215 -10.051 1.00 0.00 C ATOM 1021 CE LYS A 66 1.272 -1.154 -10.665 1.00 0.00 C ATOM 1022 NZ LYS A 66 1.706 -1.001 -12.083 1.00 0.00 N ATOM 0 H LYS A 66 0.655 3.602 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 66 0.217 2.651 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.841 1.610 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.549 1.202 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.100 -0.781 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.521 -0.239 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.142 0.694 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.815 0.871 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.059 -1.640 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.395 -1.799 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.922 -1.936 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.944 -0.557 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.556 -0.403 -12.123 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.130 2.421 -7.172 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.549 2.087 -7.029 1.00 0.00 C ATOM 1038 C CYS A 67 -4.354 2.968 -7.944 1.00 0.00 C ATOM 1039 O CYS A 67 -5.427 2.624 -8.353 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.960 2.297 -5.563 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.250 0.802 -4.594 1.00 0.00 S ATOM 0 H CYS A 67 -1.696 2.874 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.731 1.047 -7.300 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.182 2.880 -5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.869 2.899 -5.545 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.766 0.959 -3.398 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.840 4.123 -8.210 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.572 5.040 -9.108 1.00 0.00 C ATOM 1049 C TYR A 68 -4.198 4.704 -10.543 1.00 0.00 C ATOM 1050 O TYR A 68 -4.982 4.881 -11.453 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.123 6.494 -8.810 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.711 7.059 -7.477 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -6.042 6.836 -7.095 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.952 7.959 -6.723 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -6.586 7.496 -6.031 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -4.523 8.629 -5.644 1.00 0.00 C ATOM 1057 CZ TYR A 68 -5.846 8.400 -5.308 1.00 0.00 C ATOM 1058 OH TYR A 68 -6.443 9.132 -4.339 1.00 0.00 O ATOM 0 H TYR A 68 -2.952 4.472 -7.849 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.647 4.940 -8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.035 6.529 -8.763 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.427 7.138 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.645 6.133 -7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.918 8.136 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.612 7.305 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.933 9.328 -5.069 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.761 9.499 -3.739 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.999 4.223 -10.715 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.544 3.865 -12.075 1.00 0.00 C ATOM 1070 C GLU A 69 -3.394 2.738 -12.599 1.00 0.00 C ATOM 1071 O GLU A 69 -3.482 2.487 -13.784 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.078 3.409 -11.976 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.392 3.596 -13.334 1.00 0.00 C ATOM 1074 CD GLU A 69 1.074 3.171 -13.226 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.796 3.881 -12.544 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.390 2.160 -13.832 1.00 0.00 O ATOM 0 H GLU A 69 -2.320 4.065 -9.971 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.629 4.716 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.558 3.985 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.031 2.363 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.899 3.002 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.458 4.638 -13.647 1.00 0.00 H new ATOM 1083 N VAL A 70 -3.992 2.100 -11.682 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.881 0.952 -11.997 1.00 0.00 C ATOM 1085 C VAL A 70 -6.116 1.444 -12.687 1.00 0.00 C ATOM 1086 O VAL A 70 -6.462 1.035 -13.777 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.311 0.324 -10.639 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.500 -0.625 -10.804 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.168 -0.466 -10.016 1.00 0.00 C ATOM 0 H VAL A 70 -3.913 2.316 -10.688 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.365 0.236 -12.637 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.593 1.156 -9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.770 -1.043 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.349 -0.077 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.229 -1.433 -11.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.495 -0.894 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.869 -1.267 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.320 0.197 -9.841 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.743 2.321 -12.012 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.009 2.941 -12.519 1.00 0.00 C ATOM 1101 C GLY A 71 -9.161 2.472 -11.632 1.00 0.00 C ATOM 1102 O GLY A 71 -10.175 2.007 -12.113 1.00 0.00 O ATOM 0 H GLY A 71 -6.442 2.661 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.933 4.028 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.185 2.652 -13.555 1.00 0.00 H new ATOM 1106 N MET A 72 -8.973 2.608 -10.333 1.00 0.00 N ATOM 1107 CA MET A 72 -10.055 2.170 -9.364 1.00 0.00 C ATOM 1108 C MET A 72 -10.872 3.330 -8.894 1.00 0.00 C ATOM 1109 O MET A 72 -12.036 3.467 -9.201 1.00 0.00 O ATOM 1110 CB MET A 72 -9.393 1.529 -8.070 1.00 0.00 C ATOM 1111 CG MET A 72 -7.905 1.867 -8.017 1.00 0.00 C ATOM 1112 SD MET A 72 -7.077 1.735 -6.426 1.00 0.00 S ATOM 1113 CE MET A 72 -7.661 0.097 -6.060 1.00 0.00 C ATOM 0 H MET A 72 -8.134 2.996 -9.902 1.00 0.00 H new ATOM 0 HA MET A 72 -10.685 1.456 -9.894 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.890 1.903 -7.175 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.528 0.447 -8.081 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.387 1.215 -8.720 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.779 2.888 -8.377 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.041 -0.344 -5.279 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.695 0.147 -5.718 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.606 -0.518 -6.958 1.00 0.00 H new ATOM 1123 N MET A 73 -10.217 4.102 -8.129 1.00 0.00 N ATOM 1124 CA MET A 73 -10.821 5.305 -7.540 1.00 0.00 C ATOM 1125 C MET A 73 -11.912 4.892 -6.601 1.00 0.00 C ATOM 1126 O MET A 73 -12.858 4.237 -6.990 1.00 0.00 O ATOM 1127 CB MET A 73 -11.400 6.233 -8.616 1.00 0.00 C ATOM 1128 CG MET A 73 -10.282 6.685 -9.558 1.00 0.00 C ATOM 1129 SD MET A 73 -9.298 5.403 -10.371 1.00 0.00 S ATOM 1130 CE MET A 73 -7.843 6.424 -10.708 1.00 0.00 C ATOM 0 H MET A 73 -9.242 3.951 -7.869 1.00 0.00 H new ATOM 0 HA MET A 73 -10.043 5.853 -7.008 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.176 5.714 -9.179 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.869 7.099 -8.150 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.728 7.308 -10.333 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.602 7.321 -8.991 1.00 0.00 H new ATOM 0 HE1 MET A 73 -7.291 6.004 -11.549 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.159 7.438 -10.952 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.202 6.446 -9.827 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.742 5.266 -5.368 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.742 4.925 -4.326 1.00 0.00 C ATOM 1142 C LYS A 74 -14.171 4.904 -4.883 1.00 0.00 C ATOM 1143 O LYS A 74 -15.016 4.178 -4.404 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.672 5.994 -3.218 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.639 5.617 -2.076 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.529 6.658 -0.934 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.448 7.854 -1.227 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.304 8.892 -0.168 1.00 0.00 N ATOM 0 H LYS A 74 -10.941 5.801 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.510 3.930 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.654 6.071 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.935 6.971 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.662 5.580 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.401 4.622 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.805 6.200 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.497 6.996 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.201 8.281 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.484 7.520 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.931 9.694 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.562 8.485 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.318 9.222 -0.137 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.408 5.714 -5.878 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.771 5.755 -6.478 1.00 0.00 C ATOM 1164 C GLY A 75 -16.748 6.461 -5.535 1.00 0.00 C ATOM 1165 O GLY A 75 -17.204 7.524 -5.924 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.984 5.897 -4.478 1.00 0.00 O ATOM 0 H GLY A 75 -13.724 6.343 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.739 6.276 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.118 4.741 -6.679 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.650 -5.813 -3.976 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.399 2.896 -4.568 1.00 0.00 ZN