USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 360 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.2 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0277 (180deg=-0.222) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -76:sc= 1.08 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.87) USER MOD Single : A 28 TYR OH : rot 23:sc= 0.31 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= 1.07 (180deg=-0.288) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-9.2!) USER MOD Single : A 46 HIS : no HE2:sc= 0.59 K(o=0.59,f=-5.5!) USER MOD Single : A 48 TYR OH : rot 78:sc= 0.706 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.628 K(o=0.63,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.873 -6.619 -12.458 1.00 0.00 N ATOM 2 CA ALA A 1 -2.094 -7.362 -12.154 1.00 0.00 C ATOM 3 C ALA A 1 -3.110 -6.409 -11.577 1.00 0.00 C ATOM 4 O ALA A 1 -2.767 -5.284 -11.236 1.00 0.00 O ATOM 5 CB ALA A 1 -1.800 -8.486 -11.168 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.730 -6.593 -13.488 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.958 -5.648 -12.096 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.061 -7.087 -12.007 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.488 -7.809 -13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.719 -9.030 -10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.068 -9.168 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.402 -8.065 -10.245 1.00 0.00 H new ATOM 11 N HIS A 2 -4.346 -6.827 -11.489 1.00 0.00 N ATOM 12 CA HIS A 2 -5.371 -5.992 -10.911 1.00 0.00 C ATOM 13 C HIS A 2 -5.393 -6.131 -9.417 1.00 0.00 C ATOM 14 O HIS A 2 -5.822 -7.153 -8.863 1.00 0.00 O ATOM 15 CB HIS A 2 -6.760 -6.240 -11.516 1.00 0.00 C ATOM 16 CG HIS A 2 -6.909 -5.701 -12.905 1.00 0.00 C ATOM 17 ND1 HIS A 2 -7.310 -4.414 -13.182 1.00 0.00 N ATOM 18 CD2 HIS A 2 -6.682 -6.284 -14.101 1.00 0.00 C ATOM 19 CE1 HIS A 2 -7.311 -4.249 -14.500 1.00 0.00 C ATOM 20 NE2 HIS A 2 -6.934 -5.362 -15.117 1.00 0.00 N ATOM 0 H HIS A 2 -4.669 -7.740 -11.810 1.00 0.00 H new ATOM 0 HA HIS A 2 -5.113 -4.963 -11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.957 -7.312 -11.527 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.514 -5.784 -10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.357 -7.303 -14.248 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.582 -3.332 -15.002 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -6.847 -5.512 -16.122 1.00 0.00 H new ATOM 28 N CYS A 3 -4.882 -5.150 -8.773 1.00 0.00 N ATOM 29 CA CYS A 3 -4.858 -5.100 -7.357 1.00 0.00 C ATOM 30 C CYS A 3 -5.746 -3.974 -6.890 1.00 0.00 C ATOM 31 O CYS A 3 -5.354 -2.803 -6.912 1.00 0.00 O ATOM 32 CB CYS A 3 -3.432 -4.927 -6.869 1.00 0.00 C ATOM 33 SG CYS A 3 -2.342 -6.339 -7.257 1.00 0.00 S ATOM 0 H CYS A 3 -4.458 -4.339 -9.224 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.236 -6.034 -6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.013 -4.024 -7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.443 -4.775 -5.790 1.00 0.00 H new ATOM 38 N ASP A 4 -6.961 -4.318 -6.537 1.00 0.00 N ATOM 39 CA ASP A 4 -7.937 -3.323 -6.129 1.00 0.00 C ATOM 40 C ASP A 4 -8.390 -3.524 -4.687 1.00 0.00 C ATOM 41 O ASP A 4 -8.836 -2.582 -4.024 1.00 0.00 O ATOM 42 CB ASP A 4 -9.139 -3.359 -7.084 1.00 0.00 C ATOM 43 CG ASP A 4 -10.211 -2.355 -6.735 1.00 0.00 C ATOM 44 OD1 ASP A 4 -10.020 -1.153 -6.971 1.00 0.00 O ATOM 45 OD2 ASP A 4 -11.289 -2.758 -6.241 1.00 0.00 O ATOM 0 H ASP A 4 -7.303 -5.279 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.462 -2.343 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.792 -3.171 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.571 -4.360 -7.075 1.00 0.00 H new ATOM 50 N HIS A 5 -8.248 -4.733 -4.189 1.00 0.00 N ATOM 51 CA HIS A 5 -8.714 -5.070 -2.845 1.00 0.00 C ATOM 52 C HIS A 5 -7.629 -4.805 -1.813 1.00 0.00 C ATOM 53 O HIS A 5 -6.474 -5.146 -2.044 1.00 0.00 O ATOM 54 CB HIS A 5 -9.121 -6.548 -2.777 1.00 0.00 C ATOM 55 CG HIS A 5 -10.200 -6.946 -3.740 1.00 0.00 C ATOM 56 ND1 HIS A 5 -9.979 -7.703 -4.870 1.00 0.00 N ATOM 57 CD2 HIS A 5 -11.530 -6.694 -3.715 1.00 0.00 C ATOM 58 CE1 HIS A 5 -11.150 -7.885 -5.485 1.00 0.00 C ATOM 59 NE2 HIS A 5 -12.131 -7.288 -4.824 1.00 0.00 N ATOM 0 H HIS A 5 -7.813 -5.507 -4.690 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.577 -4.442 -2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.240 -7.162 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -9.456 -6.772 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.044 -6.123 -2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.280 -8.444 -6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.120 -7.267 -5.074 1.00 0.00 H new ATOM 67 N PHE A 6 -7.993 -4.175 -0.695 1.00 0.00 N ATOM 68 CA PHE A 6 -7.043 -3.931 0.397 1.00 0.00 C ATOM 69 C PHE A 6 -6.616 -5.252 1.036 1.00 0.00 C ATOM 70 O PHE A 6 -7.454 -6.102 1.354 1.00 0.00 O ATOM 71 CB PHE A 6 -7.636 -3.044 1.512 1.00 0.00 C ATOM 72 CG PHE A 6 -7.995 -1.624 1.146 1.00 0.00 C ATOM 73 CD1 PHE A 6 -7.010 -0.663 0.939 1.00 0.00 C ATOM 74 CD2 PHE A 6 -9.323 -1.237 1.061 1.00 0.00 C ATOM 75 CE1 PHE A 6 -7.355 0.646 0.652 1.00 0.00 C ATOM 76 CE2 PHE A 6 -9.666 0.068 0.768 1.00 0.00 C ATOM 77 CZ PHE A 6 -8.681 1.009 0.564 1.00 0.00 C ATOM 0 H PHE A 6 -8.935 -3.825 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.193 -3.416 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.534 -3.533 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -6.920 -3.011 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.968 -0.941 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.101 -1.967 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.583 1.385 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -10.706 0.351 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.948 2.030 0.335 1.00 0.00 H new ATOM 87 N LEU A 7 -5.332 -5.428 1.200 1.00 0.00 N ATOM 88 CA LEU A 7 -4.792 -6.604 1.877 1.00 0.00 C ATOM 89 C LEU A 7 -4.377 -6.215 3.271 1.00 0.00 C ATOM 90 O LEU A 7 -4.206 -7.054 4.161 1.00 0.00 O ATOM 91 CB LEU A 7 -3.561 -7.133 1.146 1.00 0.00 C ATOM 92 CG LEU A 7 -3.718 -7.419 -0.334 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.507 -8.152 -0.847 1.00 0.00 C ATOM 94 CD2 LEU A 7 -4.964 -8.207 -0.595 1.00 0.00 C ATOM 0 H LEU A 7 -4.624 -4.770 0.874 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.560 -7.377 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.755 -6.409 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.242 -8.052 1.638 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.805 -6.471 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.628 -8.354 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.619 -7.540 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.397 -9.094 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.055 -8.400 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.915 -9.154 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.831 -7.641 -0.253 1.00 0.00 H new ATOM 106 N GLY A 8 -4.206 -4.943 3.435 1.00 0.00 N ATOM 107 CA GLY A 8 -3.765 -4.385 4.651 1.00 0.00 C ATOM 108 C GLY A 8 -3.026 -3.132 4.346 1.00 0.00 C ATOM 109 O GLY A 8 -2.978 -2.713 3.177 1.00 0.00 O ATOM 0 H GLY A 8 -4.376 -4.254 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.613 -4.177 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.121 -5.087 5.180 1.00 0.00 H new ATOM 113 N GLU A 9 -2.454 -2.533 5.327 1.00 0.00 N ATOM 114 CA GLU A 9 -1.689 -1.343 5.122 1.00 0.00 C ATOM 115 C GLU A 9 -0.281 -1.552 5.642 1.00 0.00 C ATOM 116 O GLU A 9 -0.046 -2.458 6.456 1.00 0.00 O ATOM 117 CB GLU A 9 -2.365 -0.138 5.784 1.00 0.00 C ATOM 118 CG GLU A 9 -2.597 -0.295 7.260 1.00 0.00 C ATOM 119 CD GLU A 9 -3.197 0.922 7.883 1.00 0.00 C ATOM 120 OE1 GLU A 9 -2.455 1.718 8.466 1.00 0.00 O ATOM 121 OE2 GLU A 9 -4.427 1.111 7.797 1.00 0.00 O ATOM 0 H GLU A 9 -2.499 -2.848 6.296 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.634 -1.129 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.750 0.746 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.322 0.042 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.255 -1.147 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.650 -0.519 7.750 1.00 0.00 H new ATOM 128 N ALA A 10 0.635 -0.762 5.170 1.00 0.00 N ATOM 129 CA ALA A 10 2.010 -0.863 5.566 1.00 0.00 C ATOM 130 C ALA A 10 2.482 0.446 6.183 1.00 0.00 C ATOM 131 O ALA A 10 2.212 1.536 5.646 1.00 0.00 O ATOM 132 CB ALA A 10 2.884 -1.245 4.381 1.00 0.00 C ATOM 0 H ALA A 10 0.449 -0.022 4.493 1.00 0.00 H new ATOM 0 HA ALA A 10 2.095 -1.648 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.923 -1.316 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.560 -2.208 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.796 -0.485 3.604 1.00 0.00 H new ATOM 138 N PRO A 11 3.146 0.367 7.337 1.00 0.00 N ATOM 139 CA PRO A 11 3.671 1.538 8.017 1.00 0.00 C ATOM 140 C PRO A 11 4.945 2.086 7.358 1.00 0.00 C ATOM 141 O PRO A 11 6.034 1.501 7.486 1.00 0.00 O ATOM 142 CB PRO A 11 3.954 1.032 9.438 1.00 0.00 C ATOM 143 CG PRO A 11 4.204 -0.432 9.283 1.00 0.00 C ATOM 144 CD PRO A 11 3.405 -0.881 8.092 1.00 0.00 C ATOM 0 HA PRO A 11 2.971 2.373 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.817 1.536 9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.109 1.220 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.265 -0.630 9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.901 -0.974 10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.958 -1.603 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.476 -1.364 8.395 1.00 0.00 H new ATOM 152 N VAL A 12 4.796 3.158 6.598 1.00 0.00 N ATOM 153 CA VAL A 12 5.895 3.837 5.963 1.00 0.00 C ATOM 154 C VAL A 12 5.637 5.344 5.953 1.00 0.00 C ATOM 155 O VAL A 12 4.492 5.783 5.774 1.00 0.00 O ATOM 156 CB VAL A 12 6.137 3.365 4.490 1.00 0.00 C ATOM 157 CG1 VAL A 12 6.621 1.930 4.409 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.899 3.540 3.630 1.00 0.00 C ATOM 0 H VAL A 12 3.888 3.582 6.406 1.00 0.00 H new ATOM 0 HA VAL A 12 6.785 3.594 6.543 1.00 0.00 H new ATOM 0 HB VAL A 12 6.927 4.007 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.772 1.655 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.562 1.832 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.877 1.269 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.110 3.201 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.081 2.953 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.616 4.592 3.609 1.00 0.00 H new ATOM 168 N TYR A 13 6.678 6.112 6.183 1.00 0.00 N ATOM 169 CA TYR A 13 6.621 7.562 6.109 1.00 0.00 C ATOM 170 C TYR A 13 8.047 8.096 5.934 1.00 0.00 C ATOM 171 O TYR A 13 8.936 7.724 6.710 1.00 0.00 O ATOM 172 CB TYR A 13 5.953 8.179 7.353 1.00 0.00 C ATOM 173 CG TYR A 13 5.732 9.671 7.228 1.00 0.00 C ATOM 174 CD1 TYR A 13 6.502 10.581 7.939 1.00 0.00 C ATOM 175 CD2 TYR A 13 4.758 10.169 6.376 1.00 0.00 C ATOM 176 CE1 TYR A 13 6.306 11.937 7.806 1.00 0.00 C ATOM 177 CE2 TYR A 13 4.558 11.521 6.238 1.00 0.00 C ATOM 178 CZ TYR A 13 5.333 12.401 6.953 1.00 0.00 C ATOM 179 OH TYR A 13 5.128 13.751 6.820 1.00 0.00 O ATOM 0 H TYR A 13 7.599 5.748 6.429 1.00 0.00 H new ATOM 0 HA TYR A 13 6.006 7.848 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.995 7.689 7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.573 7.981 8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.268 10.219 8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.146 9.482 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.913 12.632 8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.794 11.891 5.570 1.00 0.00 H new ATOM 0 HH TYR A 13 4.405 13.910 6.178 1.00 0.00 H new ATOM 189 N PRO A 14 8.313 8.962 4.931 1.00 0.00 N ATOM 190 CA PRO A 14 7.295 9.501 4.017 1.00 0.00 C ATOM 191 C PRO A 14 6.735 8.432 3.089 1.00 0.00 C ATOM 192 O PRO A 14 7.450 7.507 2.672 1.00 0.00 O ATOM 193 CB PRO A 14 8.038 10.577 3.211 1.00 0.00 C ATOM 194 CG PRO A 14 9.361 10.746 3.882 1.00 0.00 C ATOM 195 CD PRO A 14 9.648 9.458 4.589 1.00 0.00 C ATOM 0 HA PRO A 14 6.436 9.892 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.163 10.271 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.481 11.514 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.140 10.970 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.335 11.577 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.186 8.758 3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.260 9.614 5.477 1.00 0.00 H new ATOM 203 N CYS A 15 5.486 8.545 2.782 1.00 0.00 N ATOM 204 CA CYS A 15 4.825 7.555 2.007 1.00 0.00 C ATOM 205 C CYS A 15 4.739 8.013 0.563 1.00 0.00 C ATOM 206 O CYS A 15 4.006 8.948 0.233 1.00 0.00 O ATOM 207 CB CYS A 15 3.424 7.278 2.581 1.00 0.00 C ATOM 208 SG CYS A 15 2.615 5.759 1.949 1.00 0.00 S ATOM 0 H CYS A 15 4.896 9.328 3.063 1.00 0.00 H new ATOM 0 HA CYS A 15 5.394 6.626 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.500 7.207 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.783 8.132 2.362 1.00 0.00 H new ATOM 213 N LYS A 16 5.541 7.409 -0.275 1.00 0.00 N ATOM 214 CA LYS A 16 5.488 7.646 -1.700 1.00 0.00 C ATOM 215 C LYS A 16 5.072 6.371 -2.376 1.00 0.00 C ATOM 216 O LYS A 16 5.355 5.281 -1.851 1.00 0.00 O ATOM 217 CB LYS A 16 6.823 8.153 -2.275 1.00 0.00 C ATOM 218 CG LYS A 16 7.121 9.653 -2.074 1.00 0.00 C ATOM 219 CD LYS A 16 7.189 10.081 -0.613 1.00 0.00 C ATOM 220 CE LYS A 16 7.430 11.581 -0.477 1.00 0.00 C ATOM 221 NZ LYS A 16 6.323 12.388 -1.038 1.00 0.00 N ATOM 0 H LYS A 16 6.253 6.736 0.009 1.00 0.00 H new ATOM 0 HA LYS A 16 4.762 8.437 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.632 7.579 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.839 7.940 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.069 9.893 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.350 10.237 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.258 9.815 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.989 9.537 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.559 11.831 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.359 11.843 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.423 13.376 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.353 12.344 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.414 12.012 -0.702 1.00 0.00 H new ATOM 235 N GLU A 17 4.417 6.495 -3.520 1.00 0.00 N ATOM 236 CA GLU A 17 3.866 5.356 -4.246 1.00 0.00 C ATOM 237 C GLU A 17 4.898 4.270 -4.535 1.00 0.00 C ATOM 238 O GLU A 17 4.611 3.110 -4.356 1.00 0.00 O ATOM 239 CB GLU A 17 3.150 5.787 -5.538 1.00 0.00 C ATOM 240 CG GLU A 17 4.029 6.509 -6.550 1.00 0.00 C ATOM 241 CD GLU A 17 3.289 6.837 -7.819 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.404 6.077 -8.810 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.577 7.857 -7.850 1.00 0.00 O ATOM 0 H GLU A 17 4.251 7.393 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 17 3.125 4.917 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.726 4.902 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.316 6.437 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.410 7.429 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.893 5.888 -6.786 1.00 0.00 H new ATOM 250 N LYS A 18 6.107 4.656 -4.923 1.00 0.00 N ATOM 251 CA LYS A 18 7.134 3.678 -5.277 1.00 0.00 C ATOM 252 C LYS A 18 7.585 2.884 -4.066 1.00 0.00 C ATOM 253 O LYS A 18 7.668 1.650 -4.121 1.00 0.00 O ATOM 254 CB LYS A 18 8.314 4.344 -5.980 1.00 0.00 C ATOM 255 CG LYS A 18 7.928 5.059 -7.266 1.00 0.00 C ATOM 256 CD LYS A 18 7.271 4.111 -8.246 1.00 0.00 C ATOM 257 CE LYS A 18 6.854 4.814 -9.514 1.00 0.00 C ATOM 258 NZ LYS A 18 6.228 3.875 -10.457 1.00 0.00 N ATOM 0 H LYS A 18 6.401 5.630 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 18 6.689 2.973 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.775 5.060 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.066 3.588 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.247 5.879 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.816 5.498 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.962 3.303 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.398 3.654 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.155 5.616 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.724 5.277 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.950 4.384 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.905 3.124 -10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.385 3.452 -10.018 1.00 0.00 H new ATOM 272 N ALA A 19 7.830 3.580 -2.969 1.00 0.00 N ATOM 273 CA ALA A 19 8.213 2.928 -1.735 1.00 0.00 C ATOM 274 C ALA A 19 7.081 2.037 -1.265 1.00 0.00 C ATOM 275 O ALA A 19 7.283 0.859 -0.999 1.00 0.00 O ATOM 276 CB ALA A 19 8.547 3.955 -0.669 1.00 0.00 C ATOM 0 H ALA A 19 7.770 4.597 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 19 9.101 2.323 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.832 3.445 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.374 4.578 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.675 4.581 -0.481 1.00 0.00 H new ATOM 282 N CYS A 20 5.886 2.604 -1.240 1.00 0.00 N ATOM 283 CA CYS A 20 4.675 1.916 -0.810 1.00 0.00 C ATOM 284 C CYS A 20 4.450 0.642 -1.631 1.00 0.00 C ATOM 285 O CYS A 20 4.315 -0.448 -1.079 1.00 0.00 O ATOM 286 CB CYS A 20 3.475 2.868 -0.950 1.00 0.00 C ATOM 287 SG CYS A 20 1.869 2.158 -0.504 1.00 0.00 S ATOM 0 H CYS A 20 5.725 3.571 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 20 4.784 1.622 0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.652 3.744 -0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.426 3.216 -1.982 1.00 0.00 H new ATOM 292 N LYS A 21 4.493 0.784 -2.943 1.00 0.00 N ATOM 293 CA LYS A 21 4.278 -0.307 -3.871 1.00 0.00 C ATOM 294 C LYS A 21 5.294 -1.423 -3.653 1.00 0.00 C ATOM 295 O LYS A 21 4.944 -2.605 -3.697 1.00 0.00 O ATOM 296 CB LYS A 21 4.361 0.237 -5.293 1.00 0.00 C ATOM 297 CG LYS A 21 4.029 -0.731 -6.401 1.00 0.00 C ATOM 298 CD LYS A 21 4.058 0.005 -7.720 1.00 0.00 C ATOM 299 CE LYS A 21 3.657 -0.869 -8.884 1.00 0.00 C ATOM 300 NZ LYS A 21 3.645 -0.102 -10.145 1.00 0.00 N ATOM 0 H LYS A 21 4.682 1.676 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 21 3.291 -0.737 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.688 1.091 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.371 0.611 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.746 -1.552 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.045 -1.170 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.388 0.863 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.061 0.394 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.350 -1.706 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.669 -1.291 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.366 -0.726 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.966 0.682 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.595 0.280 -10.328 1.00 0.00 H new ATOM 314 N SER A 22 6.534 -1.052 -3.375 1.00 0.00 N ATOM 315 CA SER A 22 7.560 -2.032 -3.143 1.00 0.00 C ATOM 316 C SER A 22 7.306 -2.739 -1.813 1.00 0.00 C ATOM 317 O SER A 22 7.279 -3.974 -1.755 1.00 0.00 O ATOM 318 CB SER A 22 8.955 -1.388 -3.165 1.00 0.00 C ATOM 319 OG SER A 22 9.984 -2.383 -3.114 1.00 0.00 O ATOM 0 H SER A 22 6.844 -0.083 -3.307 1.00 0.00 H new ATOM 0 HA SER A 22 7.528 -2.769 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.068 -0.790 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.059 -0.709 -2.318 1.00 0.00 H new ATOM 0 HG SER A 22 10.054 -2.734 -2.202 1.00 0.00 H new ATOM 325 N VAL A 23 7.072 -1.947 -0.768 1.00 0.00 N ATOM 326 CA VAL A 23 6.819 -2.448 0.578 1.00 0.00 C ATOM 327 C VAL A 23 5.603 -3.368 0.599 1.00 0.00 C ATOM 328 O VAL A 23 5.626 -4.421 1.237 1.00 0.00 O ATOM 329 CB VAL A 23 6.659 -1.276 1.594 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.252 -1.762 2.970 1.00 0.00 C ATOM 331 CG2 VAL A 23 7.958 -0.504 1.697 1.00 0.00 C ATOM 0 H VAL A 23 7.053 -0.929 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 23 7.685 -3.034 0.885 1.00 0.00 H new ATOM 0 HB VAL A 23 5.865 -0.630 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.153 -0.910 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.298 -2.285 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.012 -2.442 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.840 0.314 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.751 -1.170 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.219 -0.099 0.719 1.00 0.00 H new ATOM 341 N CYS A 24 4.574 -2.997 -0.126 1.00 0.00 N ATOM 342 CA CYS A 24 3.393 -3.820 -0.245 1.00 0.00 C ATOM 343 C CYS A 24 3.697 -5.179 -0.825 1.00 0.00 C ATOM 344 O CYS A 24 3.256 -6.168 -0.290 1.00 0.00 O ATOM 345 CB CYS A 24 2.295 -3.127 -1.030 1.00 0.00 C ATOM 346 SG CYS A 24 1.519 -1.783 -0.113 1.00 0.00 S ATOM 0 H CYS A 24 4.531 -2.121 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 24 3.027 -3.976 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.711 -2.734 -1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.535 -3.858 -1.306 1.00 0.00 H new ATOM 351 N LYS A 25 4.509 -5.227 -1.871 1.00 0.00 N ATOM 352 CA LYS A 25 4.848 -6.497 -2.509 1.00 0.00 C ATOM 353 C LYS A 25 5.801 -7.319 -1.630 1.00 0.00 C ATOM 354 O LYS A 25 5.869 -8.546 -1.740 1.00 0.00 O ATOM 355 CB LYS A 25 5.441 -6.263 -3.903 1.00 0.00 C ATOM 356 CG LYS A 25 4.497 -5.522 -4.840 1.00 0.00 C ATOM 357 CD LYS A 25 5.071 -5.340 -6.242 1.00 0.00 C ATOM 358 CE LYS A 25 5.264 -6.671 -6.961 1.00 0.00 C ATOM 359 NZ LYS A 25 5.717 -6.481 -8.356 1.00 0.00 N ATOM 0 H LYS A 25 4.945 -4.408 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 25 3.930 -7.073 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.366 -5.695 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.702 -7.224 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.556 -6.069 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.268 -4.544 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.404 -4.706 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.028 -4.822 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.994 -7.274 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.326 -7.226 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.837 -7.408 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.008 -5.928 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.625 -5.973 -8.360 1.00 0.00 H new ATOM 373 N GLU A 26 6.531 -6.625 -0.769 1.00 0.00 N ATOM 374 CA GLU A 26 7.439 -7.250 0.183 1.00 0.00 C ATOM 375 C GLU A 26 6.651 -7.883 1.337 1.00 0.00 C ATOM 376 O GLU A 26 6.883 -9.040 1.712 1.00 0.00 O ATOM 377 CB GLU A 26 8.437 -6.205 0.729 1.00 0.00 C ATOM 378 CG GLU A 26 9.423 -5.681 -0.310 1.00 0.00 C ATOM 379 CD GLU A 26 10.255 -4.503 0.174 1.00 0.00 C ATOM 380 OE1 GLU A 26 10.860 -4.581 1.269 1.00 0.00 O ATOM 381 OE2 GLU A 26 10.377 -3.491 -0.575 1.00 0.00 O ATOM 0 H GLU A 26 6.510 -5.607 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 26 7.995 -8.035 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.878 -5.364 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.996 -6.648 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.092 -6.490 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.872 -5.383 -1.202 1.00 0.00 H new ATOM 388 N HIS A 27 5.720 -7.130 1.889 1.00 0.00 N ATOM 389 CA HIS A 27 4.929 -7.586 3.033 1.00 0.00 C ATOM 390 C HIS A 27 3.790 -8.516 2.607 1.00 0.00 C ATOM 391 O HIS A 27 3.462 -9.473 3.317 1.00 0.00 O ATOM 392 CB HIS A 27 4.359 -6.397 3.847 1.00 0.00 C ATOM 393 CG HIS A 27 5.370 -5.557 4.597 1.00 0.00 C ATOM 394 ND1 HIS A 27 5.258 -5.231 5.936 1.00 0.00 N ATOM 395 CD2 HIS A 27 6.487 -4.922 4.162 1.00 0.00 C ATOM 396 CE1 HIS A 27 6.273 -4.432 6.261 1.00 0.00 C ATOM 397 NE2 HIS A 27 7.058 -4.214 5.220 1.00 0.00 N ATOM 0 H HIS A 27 5.486 -6.191 1.566 1.00 0.00 H new ATOM 0 HA HIS A 27 5.611 -8.148 3.671 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.811 -5.746 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.638 -6.787 4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.874 -4.959 3.154 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.433 -4.017 7.245 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.905 -3.646 5.195 1.00 0.00 H new ATOM 405 N TYR A 28 3.212 -8.252 1.460 1.00 0.00 N ATOM 406 CA TYR A 28 2.086 -9.013 0.950 1.00 0.00 C ATOM 407 C TYR A 28 2.443 -9.493 -0.456 1.00 0.00 C ATOM 408 O TYR A 28 2.564 -8.690 -1.374 1.00 0.00 O ATOM 409 CB TYR A 28 0.822 -8.111 0.874 1.00 0.00 C ATOM 410 CG TYR A 28 0.471 -7.356 2.153 1.00 0.00 C ATOM 411 CD1 TYR A 28 1.114 -6.169 2.471 1.00 0.00 C ATOM 412 CD2 TYR A 28 -0.493 -7.826 3.033 1.00 0.00 C ATOM 413 CE1 TYR A 28 0.825 -5.478 3.623 1.00 0.00 C ATOM 414 CE2 TYR A 28 -0.796 -7.129 4.191 1.00 0.00 C ATOM 415 CZ TYR A 28 -0.129 -5.958 4.478 1.00 0.00 C ATOM 416 OH TYR A 28 -0.406 -5.280 5.637 1.00 0.00 O ATOM 0 H TYR A 28 3.510 -7.495 0.844 1.00 0.00 H new ATOM 0 HA TYR A 28 1.877 -9.856 1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.963 -7.386 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.029 -8.732 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.861 -5.778 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.013 -8.746 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.348 -4.561 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.552 -7.502 4.866 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.144 -4.341 5.537 1.00 0.00 H new ATOM 426 N HIS A 29 2.612 -10.775 -0.631 1.00 0.00 N ATOM 427 CA HIS A 29 3.038 -11.300 -1.927 1.00 0.00 C ATOM 428 C HIS A 29 1.935 -11.296 -2.975 1.00 0.00 C ATOM 429 O HIS A 29 2.209 -11.354 -4.179 1.00 0.00 O ATOM 430 CB HIS A 29 3.721 -12.662 -1.803 1.00 0.00 C ATOM 431 CG HIS A 29 5.073 -12.571 -1.172 1.00 0.00 C ATOM 432 ND1 HIS A 29 5.345 -12.888 0.140 1.00 0.00 N ATOM 433 CD2 HIS A 29 6.245 -12.169 -1.708 1.00 0.00 C ATOM 434 CE1 HIS A 29 6.644 -12.667 0.358 1.00 0.00 C ATOM 435 NE2 HIS A 29 7.242 -12.229 -0.738 1.00 0.00 N ATOM 0 H HIS A 29 2.466 -11.480 0.091 1.00 0.00 H new ATOM 0 HA HIS A 29 3.790 -10.602 -2.295 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.092 -13.327 -1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.815 -13.109 -2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.387 -11.850 -2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.141 -12.825 1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.226 -11.986 -0.849 1.00 0.00 H new ATOM 443 N HIS A 30 0.696 -11.194 -2.540 1.00 0.00 N ATOM 444 CA HIS A 30 -0.416 -11.090 -3.474 1.00 0.00 C ATOM 445 C HIS A 30 -0.743 -9.638 -3.767 1.00 0.00 C ATOM 446 O HIS A 30 -1.754 -9.327 -4.416 1.00 0.00 O ATOM 447 CB HIS A 30 -1.663 -11.848 -3.001 1.00 0.00 C ATOM 448 CG HIS A 30 -1.520 -13.338 -3.055 1.00 0.00 C ATOM 449 ND1 HIS A 30 -1.798 -14.095 -4.179 1.00 0.00 N ATOM 450 CD2 HIS A 30 -1.104 -14.216 -2.108 1.00 0.00 C ATOM 451 CE1 HIS A 30 -1.550 -15.375 -3.892 1.00 0.00 C ATOM 452 NE2 HIS A 30 -1.121 -15.506 -2.643 1.00 0.00 N ATOM 0 H HIS A 30 0.431 -11.181 -1.555 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.093 -11.568 -4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.891 -11.551 -1.977 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.513 -11.551 -3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.807 -13.959 -1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.681 -16.194 -4.584 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.858 -16.371 -2.171 1.00 0.00 H new ATOM 460 N ALA A 31 0.113 -8.751 -3.298 1.00 0.00 N ATOM 461 CA ALA A 31 -0.028 -7.345 -3.562 1.00 0.00 C ATOM 462 C ALA A 31 0.838 -6.996 -4.723 1.00 0.00 C ATOM 463 O ALA A 31 1.943 -7.524 -4.858 1.00 0.00 O ATOM 464 CB ALA A 31 0.384 -6.505 -2.365 1.00 0.00 C ATOM 0 H ALA A 31 0.922 -8.991 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.076 -7.134 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.263 -5.448 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.243 -6.758 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.427 -6.705 -2.122 1.00 0.00 H new ATOM 470 N CYS A 32 0.349 -6.172 -5.582 1.00 0.00 N ATOM 471 CA CYS A 32 1.153 -5.720 -6.689 1.00 0.00 C ATOM 472 C CYS A 32 1.213 -4.210 -6.705 1.00 0.00 C ATOM 473 O CYS A 32 2.129 -3.618 -7.268 1.00 0.00 O ATOM 474 CB CYS A 32 0.616 -6.247 -8.019 1.00 0.00 C ATOM 475 SG CYS A 32 -0.994 -5.556 -8.541 1.00 0.00 S ATOM 0 H CYS A 32 -0.597 -5.792 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 32 2.161 -6.115 -6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.351 -6.039 -8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.522 -7.331 -7.950 1.00 0.00 H new ATOM 480 N LYS A 33 0.260 -3.586 -6.041 1.00 0.00 N ATOM 481 CA LYS A 33 0.163 -2.162 -6.040 1.00 0.00 C ATOM 482 C LYS A 33 -0.152 -1.654 -4.656 1.00 0.00 C ATOM 483 O LYS A 33 -1.002 -2.206 -3.958 1.00 0.00 O ATOM 484 CB LYS A 33 -0.900 -1.698 -7.049 1.00 0.00 C ATOM 485 CG LYS A 33 -1.109 -0.190 -7.098 1.00 0.00 C ATOM 486 CD LYS A 33 -2.109 0.189 -8.169 1.00 0.00 C ATOM 487 CE LYS A 33 -2.410 1.682 -8.166 1.00 0.00 C ATOM 488 NZ LYS A 33 -3.057 2.132 -6.905 1.00 0.00 N ATOM 0 H LYS A 33 -0.459 -4.059 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 33 1.125 -1.747 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.616 -2.045 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.849 -2.176 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.459 0.163 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.158 0.306 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.721 -0.101 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.033 -0.368 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.483 2.236 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.060 1.920 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.995 2.527 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.160 1.323 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.469 2.861 -6.454 1.00 0.00 H new ATOM 502 N GLY A 34 0.552 -0.637 -4.269 1.00 0.00 N ATOM 503 CA GLY A 34 0.323 0.021 -3.027 1.00 0.00 C ATOM 504 C GLY A 34 0.106 1.467 -3.316 1.00 0.00 C ATOM 505 O GLY A 34 0.645 1.974 -4.311 1.00 0.00 O ATOM 0 H GLY A 34 1.313 -0.237 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.546 -0.403 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.175 -0.113 -2.360 1.00 0.00 H new ATOM 509 N GLU A 35 -0.687 2.127 -2.531 1.00 0.00 N ATOM 510 CA GLU A 35 -0.966 3.519 -2.762 1.00 0.00 C ATOM 511 C GLU A 35 -1.028 4.226 -1.426 1.00 0.00 C ATOM 512 O GLU A 35 -1.564 3.684 -0.457 1.00 0.00 O ATOM 513 CB GLU A 35 -2.306 3.664 -3.488 1.00 0.00 C ATOM 514 CG GLU A 35 -2.517 4.994 -4.177 1.00 0.00 C ATOM 515 CD GLU A 35 -1.544 5.188 -5.312 1.00 0.00 C ATOM 516 OE1 GLU A 35 -0.661 6.048 -5.210 1.00 0.00 O ATOM 517 OE2 GLU A 35 -1.642 4.452 -6.317 1.00 0.00 O ATOM 0 H GLU A 35 -1.157 1.726 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.183 3.959 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.388 2.870 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.111 3.512 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.537 5.050 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.401 5.802 -3.455 1.00 0.00 H new ATOM 524 N CYS A 36 -0.470 5.397 -1.362 1.00 0.00 N ATOM 525 CA CYS A 36 -0.502 6.172 -0.153 1.00 0.00 C ATOM 526 C CYS A 36 -1.758 7.006 -0.130 1.00 0.00 C ATOM 527 O CYS A 36 -2.010 7.803 -1.051 1.00 0.00 O ATOM 528 CB CYS A 36 0.735 7.046 -0.044 1.00 0.00 C ATOM 529 SG CYS A 36 2.277 6.092 -0.027 1.00 0.00 S ATOM 0 H CYS A 36 0.018 5.842 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.506 5.501 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.755 7.744 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.673 7.642 0.866 1.00 0.00 H new ATOM 534 N GLU A 37 -2.550 6.823 0.889 1.00 0.00 N ATOM 535 CA GLU A 37 -3.814 7.500 0.993 1.00 0.00 C ATOM 536 C GLU A 37 -3.917 8.169 2.337 1.00 0.00 C ATOM 537 O GLU A 37 -3.417 7.641 3.344 1.00 0.00 O ATOM 538 CB GLU A 37 -4.992 6.528 0.800 1.00 0.00 C ATOM 539 CG GLU A 37 -4.980 5.762 -0.520 1.00 0.00 C ATOM 540 CD GLU A 37 -6.242 4.962 -0.732 1.00 0.00 C ATOM 541 OE1 GLU A 37 -7.145 5.444 -1.455 1.00 0.00 O ATOM 542 OE2 GLU A 37 -6.373 3.852 -0.161 1.00 0.00 O ATOM 0 H GLU A 37 -2.339 6.202 1.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.866 8.248 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.991 5.810 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.923 7.090 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.856 6.465 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.120 5.092 -0.540 1.00 0.00 H new ATOM 549 N TYR A 38 -4.521 9.327 2.356 1.00 0.00 N ATOM 550 CA TYR A 38 -4.710 10.076 3.575 1.00 0.00 C ATOM 551 C TYR A 38 -5.928 9.566 4.288 1.00 0.00 C ATOM 552 O TYR A 38 -7.059 9.890 3.920 1.00 0.00 O ATOM 553 CB TYR A 38 -4.846 11.574 3.287 1.00 0.00 C ATOM 554 CG TYR A 38 -3.578 12.224 2.799 1.00 0.00 C ATOM 555 CD1 TYR A 38 -2.700 12.788 3.696 1.00 0.00 C ATOM 556 CD2 TYR A 38 -3.260 12.281 1.450 1.00 0.00 C ATOM 557 CE1 TYR A 38 -1.543 13.388 3.282 1.00 0.00 C ATOM 558 CE2 TYR A 38 -2.095 12.882 1.023 1.00 0.00 C ATOM 559 CZ TYR A 38 -1.241 13.434 1.948 1.00 0.00 C ATOM 560 OH TYR A 38 -0.082 14.036 1.539 1.00 0.00 O ATOM 0 H TYR A 38 -4.898 9.781 1.524 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.834 9.940 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.627 11.720 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.174 12.079 4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.930 12.756 4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.934 11.849 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.870 13.824 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.855 12.919 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.013 13.984 0.563 1.00 0.00 H new ATOM 570 N HIS A 39 -5.714 8.765 5.280 1.00 0.00 N ATOM 571 CA HIS A 39 -6.795 8.134 5.976 1.00 0.00 C ATOM 572 C HIS A 39 -6.829 8.618 7.411 1.00 0.00 C ATOM 573 O HIS A 39 -6.021 8.197 8.244 1.00 0.00 O ATOM 574 CB HIS A 39 -6.644 6.601 5.890 1.00 0.00 C ATOM 575 CG HIS A 39 -7.786 5.804 6.463 1.00 0.00 C ATOM 576 ND1 HIS A 39 -8.851 5.343 5.719 1.00 0.00 N ATOM 577 CD2 HIS A 39 -7.992 5.350 7.721 1.00 0.00 C ATOM 578 CE1 HIS A 39 -9.649 4.640 6.519 1.00 0.00 C ATOM 579 NE2 HIS A 39 -9.170 4.608 7.753 1.00 0.00 N ATOM 0 H HIS A 39 -4.787 8.528 5.633 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.745 8.401 5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.520 6.324 4.843 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.728 6.314 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.345 5.534 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.564 4.160 6.204 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.579 4.137 8.560 1.00 0.00 H new ATOM 587 N GLY A 40 -7.717 9.541 7.677 1.00 0.00 N ATOM 588 CA GLY A 40 -7.869 10.064 9.002 1.00 0.00 C ATOM 589 C GLY A 40 -6.890 11.177 9.288 1.00 0.00 C ATOM 590 O GLY A 40 -7.060 12.307 8.810 1.00 0.00 O ATOM 0 H GLY A 40 -8.348 9.946 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.886 10.434 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.727 9.262 9.726 1.00 0.00 H new ATOM 594 N ARG A 41 -5.855 10.856 10.023 1.00 0.00 N ATOM 595 CA ARG A 41 -4.859 11.826 10.435 1.00 0.00 C ATOM 596 C ARG A 41 -3.651 11.764 9.513 1.00 0.00 C ATOM 597 O ARG A 41 -3.269 12.763 8.889 1.00 0.00 O ATOM 598 CB ARG A 41 -4.385 11.510 11.860 1.00 0.00 C ATOM 599 CG ARG A 41 -5.476 11.461 12.913 1.00 0.00 C ATOM 600 CD ARG A 41 -6.053 12.825 13.228 1.00 0.00 C ATOM 601 NE ARG A 41 -7.103 12.735 14.254 1.00 0.00 N ATOM 602 CZ ARG A 41 -7.008 13.205 15.510 1.00 0.00 C ATOM 603 NH1 ARG A 41 -5.858 13.707 15.958 1.00 0.00 N ATOM 604 NH2 ARG A 41 -8.058 13.132 16.323 1.00 0.00 N ATOM 0 H ARG A 41 -5.674 9.909 10.357 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.310 12.818 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.871 10.549 11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.652 12.260 12.156 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.276 10.804 12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.073 11.023 13.826 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.259 13.487 13.573 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.465 13.267 12.321 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.976 12.278 13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.042 13.737 15.347 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.794 14.062 16.912 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.931 12.721 15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.990 13.487 17.277 1.00 0.00 H new ATOM 618 N GLU A 42 -3.096 10.585 9.409 1.00 0.00 N ATOM 619 CA GLU A 42 -1.851 10.348 8.710 1.00 0.00 C ATOM 620 C GLU A 42 -2.095 9.800 7.311 1.00 0.00 C ATOM 621 O GLU A 42 -3.220 9.405 6.965 1.00 0.00 O ATOM 622 CB GLU A 42 -1.041 9.322 9.509 1.00 0.00 C ATOM 623 CG GLU A 42 -0.688 9.760 10.926 1.00 0.00 C ATOM 624 CD GLU A 42 0.286 10.905 10.955 1.00 0.00 C ATOM 625 OE1 GLU A 42 -0.131 12.068 10.957 1.00 0.00 O ATOM 626 OE2 GLU A 42 1.517 10.652 10.989 1.00 0.00 O ATOM 0 H GLU A 42 -3.502 9.742 9.815 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.315 11.292 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.607 8.392 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.119 9.105 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.599 10.050 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.264 8.915 11.468 1.00 0.00 H new ATOM 633 N VAL A 43 -1.057 9.795 6.510 1.00 0.00 N ATOM 634 CA VAL A 43 -1.106 9.176 5.212 1.00 0.00 C ATOM 635 C VAL A 43 -0.461 7.807 5.360 1.00 0.00 C ATOM 636 O VAL A 43 0.565 7.666 6.049 1.00 0.00 O ATOM 637 CB VAL A 43 -0.374 10.027 4.103 1.00 0.00 C ATOM 638 CG1 VAL A 43 1.123 10.124 4.336 1.00 0.00 C ATOM 639 CG2 VAL A 43 -0.652 9.483 2.712 1.00 0.00 C ATOM 0 H VAL A 43 -0.158 10.219 6.740 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.141 9.098 4.879 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.784 11.034 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.577 10.720 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.311 10.597 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.557 9.124 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.133 10.093 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.299 8.454 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.724 9.512 2.518 1.00 0.00 H new ATOM 649 N HIS A 44 -1.047 6.800 4.798 1.00 0.00 N ATOM 650 CA HIS A 44 -0.484 5.494 4.940 1.00 0.00 C ATOM 651 C HIS A 44 -0.526 4.730 3.659 1.00 0.00 C ATOM 652 O HIS A 44 -1.279 5.070 2.741 1.00 0.00 O ATOM 653 CB HIS A 44 -1.130 4.715 6.090 1.00 0.00 C ATOM 654 CG HIS A 44 -0.126 4.263 7.118 1.00 0.00 C ATOM 655 ND1 HIS A 44 -0.311 3.199 7.965 1.00 0.00 N ATOM 656 CD2 HIS A 44 1.085 4.784 7.441 1.00 0.00 C ATOM 657 CE1 HIS A 44 0.755 3.105 8.758 1.00 0.00 C ATOM 658 NE2 HIS A 44 1.638 4.048 8.480 1.00 0.00 N ATOM 0 H HIS A 44 -1.902 6.852 4.244 1.00 0.00 H new ATOM 0 HA HIS A 44 0.567 5.627 5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.881 5.341 6.572 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.650 3.845 5.688 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -1.125 2.585 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.546 5.637 6.965 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.881 2.357 9.527 1.00 0.00 H new ATOM 666 N CYS A 45 0.299 3.735 3.599 1.00 0.00 N ATOM 667 CA CYS A 45 0.452 2.894 2.452 1.00 0.00 C ATOM 668 C CYS A 45 -0.573 1.788 2.505 1.00 0.00 C ATOM 669 O CYS A 45 -0.569 0.987 3.434 1.00 0.00 O ATOM 670 CB CYS A 45 1.861 2.310 2.489 1.00 0.00 C ATOM 671 SG CYS A 45 2.254 1.134 1.184 1.00 0.00 S ATOM 0 H CYS A 45 0.908 3.475 4.375 1.00 0.00 H new ATOM 0 HA CYS A 45 0.305 3.458 1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.576 3.131 2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.005 1.819 3.451 1.00 0.00 H new ATOM 676 N HIS A 46 -1.485 1.779 1.572 1.00 0.00 N ATOM 677 CA HIS A 46 -2.483 0.761 1.512 1.00 0.00 C ATOM 678 C HIS A 46 -2.117 -0.224 0.433 1.00 0.00 C ATOM 679 O HIS A 46 -1.880 0.157 -0.717 1.00 0.00 O ATOM 680 CB HIS A 46 -3.866 1.361 1.264 1.00 0.00 C ATOM 681 CG HIS A 46 -4.360 2.254 2.374 1.00 0.00 C ATOM 682 ND1 HIS A 46 -5.318 3.214 2.206 1.00 0.00 N ATOM 683 CD2 HIS A 46 -4.042 2.275 3.692 1.00 0.00 C ATOM 684 CE1 HIS A 46 -5.564 3.781 3.388 1.00 0.00 C ATOM 685 NE2 HIS A 46 -4.812 3.242 4.337 1.00 0.00 N ATOM 0 H HIS A 46 -1.552 2.480 0.834 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.526 0.243 2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.841 1.933 0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.581 0.551 1.119 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.769 3.456 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.307 1.642 4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.280 4.573 3.550 1.00 0.00 H new ATOM 693 N CYS A 47 -2.057 -1.465 0.801 1.00 0.00 N ATOM 694 CA CYS A 47 -1.637 -2.504 -0.094 1.00 0.00 C ATOM 695 C CYS A 47 -2.819 -3.167 -0.734 1.00 0.00 C ATOM 696 O CYS A 47 -3.745 -3.609 -0.043 1.00 0.00 O ATOM 697 CB CYS A 47 -0.801 -3.511 0.669 1.00 0.00 C ATOM 698 SG CYS A 47 0.651 -2.748 1.445 1.00 0.00 S ATOM 0 H CYS A 47 -2.299 -1.791 1.737 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.034 -2.069 -0.891 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.415 -3.983 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.476 -4.300 -0.010 1.00 0.00 H new ATOM 703 N TYR A 48 -2.803 -3.231 -2.040 1.00 0.00 N ATOM 704 CA TYR A 48 -3.881 -3.812 -2.784 1.00 0.00 C ATOM 705 C TYR A 48 -3.431 -5.094 -3.446 1.00 0.00 C ATOM 706 O TYR A 48 -2.267 -5.218 -3.856 1.00 0.00 O ATOM 707 CB TYR A 48 -4.356 -2.870 -3.875 1.00 0.00 C ATOM 708 CG TYR A 48 -4.778 -1.504 -3.429 1.00 0.00 C ATOM 709 CD1 TYR A 48 -6.048 -1.268 -2.930 1.00 0.00 C ATOM 710 CD2 TYR A 48 -3.916 -0.435 -3.551 1.00 0.00 C ATOM 711 CE1 TYR A 48 -6.444 -0.001 -2.572 1.00 0.00 C ATOM 712 CE2 TYR A 48 -4.298 0.822 -3.181 1.00 0.00 C ATOM 713 CZ TYR A 48 -5.558 1.041 -2.694 1.00 0.00 C ATOM 714 OH TYR A 48 -5.946 2.322 -2.384 1.00 0.00 O ATOM 0 H TYR A 48 -2.038 -2.880 -2.616 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.692 -4.008 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.555 -2.760 -4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.195 -3.337 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.738 -2.092 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.923 -0.595 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.442 0.173 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.605 1.645 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.947 2.437 -1.411 1.00 0.00 H new ATOM 724 N GLY A 49 -4.347 -6.013 -3.579 1.00 0.00 N ATOM 725 CA GLY A 49 -4.096 -7.260 -4.239 1.00 0.00 C ATOM 726 C GLY A 49 -5.271 -8.176 -4.080 1.00 0.00 C ATOM 727 O GLY A 49 -6.416 -7.717 -4.112 1.00 0.00 O ATOM 0 H GLY A 49 -5.299 -5.914 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.901 -7.087 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.203 -7.727 -3.823 1.00 0.00 H new ATOM 731 N ASP A 50 -5.005 -9.441 -3.892 1.00 0.00 N ATOM 732 CA ASP A 50 -6.051 -10.431 -3.661 1.00 0.00 C ATOM 733 C ASP A 50 -5.915 -10.961 -2.255 1.00 0.00 C ATOM 734 O ASP A 50 -4.816 -11.376 -1.847 1.00 0.00 O ATOM 735 CB ASP A 50 -5.940 -11.584 -4.654 1.00 0.00 C ATOM 736 CG ASP A 50 -6.988 -12.652 -4.422 1.00 0.00 C ATOM 737 OD1 ASP A 50 -8.145 -12.464 -4.864 1.00 0.00 O ATOM 738 OD2 ASP A 50 -6.667 -13.709 -3.820 1.00 0.00 O ATOM 0 H ASP A 50 -4.060 -9.826 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.023 -9.958 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.039 -11.197 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.948 -12.030 -4.578 1.00 0.00 H new ATOM 743 N TYR A 51 -6.981 -10.924 -1.496 1.00 0.00 N ATOM 744 CA TYR A 51 -6.908 -11.363 -0.138 1.00 0.00 C ATOM 745 C TYR A 51 -7.628 -12.661 0.067 1.00 0.00 C ATOM 746 O TYR A 51 -8.643 -12.951 -0.592 1.00 0.00 O ATOM 747 CB TYR A 51 -7.390 -10.294 0.879 1.00 0.00 C ATOM 748 CG TYR A 51 -8.850 -9.863 0.803 1.00 0.00 C ATOM 749 CD1 TYR A 51 -9.211 -8.660 0.219 1.00 0.00 C ATOM 750 CD2 TYR A 51 -9.856 -10.642 1.360 1.00 0.00 C ATOM 751 CE1 TYR A 51 -10.529 -8.249 0.194 1.00 0.00 C ATOM 752 CE2 TYR A 51 -11.169 -10.245 1.329 1.00 0.00 C ATOM 753 CZ TYR A 51 -11.503 -9.047 0.749 1.00 0.00 C ATOM 754 OH TYR A 51 -12.812 -8.637 0.734 1.00 0.00 O ATOM 0 H TYR A 51 -7.899 -10.597 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.849 -11.526 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.203 -10.675 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.770 -9.406 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.450 -8.034 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.599 -11.581 1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.794 -7.305 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.936 -10.872 1.759 1.00 0.00 H new ATOM 0 HH TYR A 51 -13.372 -9.316 1.165 1.00 0.00 H new ATOM 764 N HIS A 52 -7.093 -13.424 0.959 1.00 0.00 N ATOM 765 CA HIS A 52 -7.622 -14.680 1.392 1.00 0.00 C ATOM 766 C HIS A 52 -6.888 -15.068 2.670 1.00 0.00 C ATOM 767 O HIS A 52 -6.344 -16.186 2.780 1.00 0.00 O ATOM 768 CB HIS A 52 -7.529 -15.771 0.269 1.00 0.00 C ATOM 769 CG HIS A 52 -6.177 -15.923 -0.395 1.00 0.00 C ATOM 770 ND1 HIS A 52 -5.852 -15.374 -1.627 1.00 0.00 N ATOM 771 CD2 HIS A 52 -5.078 -16.597 0.008 1.00 0.00 C ATOM 772 CE1 HIS A 52 -4.606 -15.729 -1.925 1.00 0.00 C ATOM 773 NE2 HIS A 52 -4.083 -16.477 -0.960 1.00 0.00 N ATOM 774 OXT HIS A 52 -6.762 -14.174 3.550 1.00 0.00 O ATOM 0 H HIS A 52 -6.225 -13.177 1.435 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.688 -14.596 1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.811 -16.732 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.265 -15.537 -0.500 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.464 -14.797 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.985 -17.143 0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.089 -15.447 -2.830 1.00 0.00 H new TER 782 HIS A 52