USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 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 10 ASN : amide:sc= 0.776 K(o=1.4,f=-1) USER MOD Set 1.2: A 13 ASN : amide:sc= 0.608 K(o=1.4,f=-1.3) USER MOD Single : A 1 GLU N :NH3+ -150:sc= -0.401 (180deg=-1.45!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.92 K(o=-0.92,f=-4.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -31:sc= -2.65 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -0.0991 (180deg=-0.585) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= -0.484 (180deg=-0.688) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.308 1.140 -1.122 1.00 0.00 N ATOM 2 CA GLU A 1 2.302 0.078 -1.022 1.00 0.00 C ATOM 3 C GLU A 1 1.907 -1.119 -1.881 1.00 0.00 C ATOM 4 O GLU A 1 1.116 -1.965 -1.462 1.00 0.00 O ATOM 5 CB GLU A 1 2.469 -0.359 0.435 1.00 0.00 C ATOM 6 CG GLU A 1 3.404 0.532 1.235 1.00 0.00 C ATOM 7 CD GLU A 1 2.916 1.965 1.317 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.152 2.280 2.252 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.300 2.773 0.445 1.00 0.00 O ATOM 0 H1 GLU A 1 1.771 2.062 -0.992 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.859 1.108 -2.059 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.585 1.009 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 1 3.252 0.468 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.491 -0.370 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.847 -1.381 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.509 0.130 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.394 0.515 0.780 1.00 0.00 H new ATOM 16 N CYS A 2 2.463 -1.184 -3.086 1.00 0.00 N ATOM 17 CA CYS A 2 2.170 -2.275 -4.007 1.00 0.00 C ATOM 18 C CYS A 2 2.920 -3.542 -3.606 1.00 0.00 C ATOM 19 O CYS A 2 4.130 -3.515 -3.378 1.00 0.00 O ATOM 20 CB CYS A 2 2.544 -1.879 -5.437 1.00 0.00 C ATOM 21 SG CYS A 2 2.201 -0.136 -5.840 1.00 0.00 S ATOM 0 H CYS A 2 3.120 -0.493 -3.448 1.00 0.00 H new ATOM 0 HA CYS A 2 1.100 -2.477 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.605 -2.074 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.999 -2.516 -6.133 1.00 0.00 H new ATOM 26 N LEU A 3 2.193 -4.651 -3.520 1.00 0.00 N ATOM 27 CA LEU A 3 2.789 -5.929 -3.147 1.00 0.00 C ATOM 28 C LEU A 3 2.823 -6.883 -4.337 1.00 0.00 C ATOM 29 O LEU A 3 1.889 -7.654 -4.552 1.00 0.00 O ATOM 30 CB LEU A 3 2.007 -6.561 -1.994 1.00 0.00 C ATOM 31 CG LEU A 3 1.107 -5.617 -1.196 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.061 -6.378 -0.590 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.906 -4.910 -0.111 1.00 0.00 C ATOM 0 H LEU A 3 1.190 -4.691 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 3 3.814 -5.744 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.390 -7.364 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.719 -7.019 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 3 0.709 -4.864 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.690 -5.690 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.648 -6.837 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.317 -7.154 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.250 -4.242 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.333 -5.649 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.708 -4.331 -0.569 1.00 0.00 H new ATOM 45 N GLU A 4 3.907 -6.825 -5.104 1.00 0.00 N ATOM 46 CA GLU A 4 4.062 -7.685 -6.271 1.00 0.00 C ATOM 47 C GLU A 4 4.814 -8.963 -5.909 1.00 0.00 C ATOM 48 O GLU A 4 4.751 -9.958 -6.632 1.00 0.00 O ATOM 49 CB GLU A 4 4.804 -6.942 -7.385 1.00 0.00 C ATOM 50 CG GLU A 4 6.295 -6.796 -7.131 1.00 0.00 C ATOM 51 CD GLU A 4 6.888 -5.583 -7.821 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.940 -5.578 -9.069 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.300 -4.640 -7.114 1.00 0.00 O ATOM 0 H GLU A 4 4.690 -6.192 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 4 3.067 -7.957 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.654 -7.472 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.366 -5.951 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.471 -6.721 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.808 -7.693 -7.477 1.00 0.00 H new ATOM 60 N ILE A 5 5.523 -8.927 -4.787 1.00 0.00 N ATOM 61 CA ILE A 5 6.286 -10.082 -4.328 1.00 0.00 C ATOM 62 C ILE A 5 5.373 -11.133 -3.707 1.00 0.00 C ATOM 63 O ILE A 5 5.759 -12.291 -3.548 1.00 0.00 O ATOM 64 CB ILE A 5 7.357 -9.676 -3.299 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.140 -10.905 -2.834 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.714 -8.972 -2.114 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.714 -11.722 -3.970 1.00 0.00 C ATOM 0 H ILE A 5 5.586 -8.111 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 5 6.777 -10.504 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 5 8.052 -8.984 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.952 -10.583 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.484 -11.539 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.484 -8.691 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.197 -8.077 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.999 -9.642 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.256 -12.577 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.905 -12.075 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.396 -11.104 -4.554 1.00 0.00 H new ATOM 79 N PHE A 6 4.157 -10.722 -3.360 1.00 0.00 N ATOM 80 CA PHE A 6 3.187 -11.628 -2.757 1.00 0.00 C ATOM 81 C PHE A 6 3.005 -11.321 -1.274 1.00 0.00 C ATOM 82 O PHE A 6 2.669 -12.202 -0.482 1.00 0.00 O ATOM 83 CB PHE A 6 3.634 -13.081 -2.938 1.00 0.00 C ATOM 84 CG PHE A 6 4.463 -13.599 -1.797 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.334 -12.761 -1.120 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.370 -14.924 -1.402 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.099 -13.236 -0.071 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.131 -15.404 -0.353 1.00 0.00 C ATOM 89 CZ PHE A 6 5.996 -14.559 0.313 1.00 0.00 C ATOM 0 H PHE A 6 3.821 -9.767 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 6 2.231 -11.484 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.753 -13.712 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.208 -13.164 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.416 -11.725 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.695 -15.589 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.776 -12.574 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.049 -16.439 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.591 -14.932 1.133 1.00 0.00 H new ATOM 99 N LYS A 7 3.229 -10.065 -0.904 1.00 0.00 N ATOM 100 CA LYS A 7 3.090 -9.638 0.483 1.00 0.00 C ATOM 101 C LYS A 7 1.623 -9.624 0.903 1.00 0.00 C ATOM 102 O LYS A 7 0.732 -9.442 0.074 1.00 0.00 O ATOM 103 CB LYS A 7 3.700 -8.248 0.675 1.00 0.00 C ATOM 104 CG LYS A 7 4.471 -8.096 1.974 1.00 0.00 C ATOM 105 CD LYS A 7 5.894 -8.613 1.841 1.00 0.00 C ATOM 106 CE LYS A 7 6.690 -8.389 3.118 1.00 0.00 C ATOM 107 NZ LYS A 7 8.156 -8.354 2.859 1.00 0.00 N ATOM 0 H LYS A 7 3.508 -9.324 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 7 3.623 -10.351 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.367 -8.035 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.904 -7.504 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.490 -7.046 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.958 -8.639 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.875 -9.677 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.389 -8.111 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.380 -7.451 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.466 -9.184 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.663 -8.200 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.457 -9.258 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.374 -7.580 2.200 1.00 0.00 H new ATOM 121 N ALA A 8 1.380 -9.814 2.196 1.00 0.00 N ATOM 122 CA ALA A 8 0.023 -9.819 2.725 1.00 0.00 C ATOM 123 C ALA A 8 -0.726 -8.551 2.329 1.00 0.00 C ATOM 124 O ALA A 8 -0.359 -7.448 2.736 1.00 0.00 O ATOM 125 CB ALA A 8 0.047 -9.968 4.239 1.00 0.00 C ATOM 0 H ALA A 8 2.106 -9.966 2.896 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.504 -10.671 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.974 -9.970 4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.536 -10.905 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.597 -9.135 4.678 1.00 0.00 H new ATOM 131 N CYS A 9 -1.777 -8.715 1.532 1.00 0.00 N ATOM 132 CA CYS A 9 -2.577 -7.583 1.079 1.00 0.00 C ATOM 133 C CYS A 9 -3.757 -7.342 2.015 1.00 0.00 C ATOM 134 O CYS A 9 -4.319 -8.282 2.577 1.00 0.00 O ATOM 135 CB CYS A 9 -3.082 -7.827 -0.345 1.00 0.00 C ATOM 136 SG CYS A 9 -4.892 -7.983 -0.474 1.00 0.00 S ATOM 0 H CYS A 9 -2.094 -9.621 1.187 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.944 -6.696 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.752 -7.006 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.621 -8.736 -0.732 1.00 0.00 H new ATOM 141 N ASN A 10 -4.128 -6.076 2.178 1.00 0.00 N ATOM 142 CA ASN A 10 -5.241 -5.711 3.046 1.00 0.00 C ATOM 143 C ASN A 10 -6.530 -5.561 2.244 1.00 0.00 C ATOM 144 O ASN A 10 -6.519 -5.204 1.066 1.00 0.00 O ATOM 145 CB ASN A 10 -4.932 -4.407 3.785 1.00 0.00 C ATOM 146 CG ASN A 10 -4.026 -4.622 4.982 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.154 -5.490 4.966 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.230 -3.829 6.028 1.00 0.00 N ATOM 0 H ASN A 10 -3.674 -5.286 1.720 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.378 -6.510 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.460 -3.706 3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.865 -3.950 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.652 -3.927 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.965 -3.123 5.997 1.00 0.00 H new ATOM 155 N PRO A 11 -7.669 -5.840 2.896 1.00 0.00 N ATOM 156 CA PRO A 11 -8.987 -5.742 2.263 1.00 0.00 C ATOM 157 C PRO A 11 -9.389 -4.299 1.979 1.00 0.00 C ATOM 158 O PRO A 11 -9.830 -3.972 0.877 1.00 0.00 O ATOM 159 CB PRO A 11 -9.926 -6.364 3.301 1.00 0.00 C ATOM 160 CG PRO A 11 -9.226 -6.178 4.603 1.00 0.00 C ATOM 161 CD PRO A 11 -7.756 -6.272 4.301 1.00 0.00 C ATOM 0 HA PRO A 11 -9.011 -6.239 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.899 -5.872 3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.103 -7.419 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.473 -5.212 5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.527 -6.942 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.169 -5.629 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.383 -7.287 4.433 1.00 0.00 H new ATOM 169 N SER A 12 -9.232 -3.438 2.980 1.00 0.00 N ATOM 170 CA SER A 12 -9.581 -2.029 2.839 1.00 0.00 C ATOM 171 C SER A 12 -8.381 -1.217 2.362 1.00 0.00 C ATOM 172 O SER A 12 -8.456 -0.508 1.359 1.00 0.00 O ATOM 173 CB SER A 12 -10.092 -1.473 4.169 1.00 0.00 C ATOM 174 OG SER A 12 -11.417 -1.903 4.427 1.00 0.00 O ATOM 0 H SER A 12 -8.865 -3.692 3.897 1.00 0.00 H new ATOM 0 HA SER A 12 -10.371 -1.949 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.437 -1.797 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.057 -0.384 4.148 1.00 0.00 H new ATOM 0 HG SER A 12 -11.719 -1.535 5.284 1.00 0.00 H new ATOM 180 N ASN A 13 -7.274 -1.328 3.088 1.00 0.00 N ATOM 181 CA ASN A 13 -6.056 -0.604 2.741 1.00 0.00 C ATOM 182 C ASN A 13 -5.512 -1.068 1.393 1.00 0.00 C ATOM 183 O ASN A 13 -4.745 -2.028 1.320 1.00 0.00 O ATOM 184 CB ASN A 13 -4.995 -0.798 3.826 1.00 0.00 C ATOM 185 CG ASN A 13 -5.546 -0.568 5.220 1.00 0.00 C ATOM 186 OD1 ASN A 13 -5.989 -1.504 5.887 1.00 0.00 O ATOM 187 ND2 ASN A 13 -5.520 0.682 5.668 1.00 0.00 N ATOM 0 H ASN A 13 -7.195 -1.912 3.920 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.302 0.455 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.592 -1.808 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.167 -0.112 3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.876 0.898 6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.144 1.426 5.081 1.00 0.00 H new ATOM 194 N ASP A 14 -5.915 -0.381 0.330 1.00 0.00 N ATOM 195 CA ASP A 14 -5.468 -0.722 -1.015 1.00 0.00 C ATOM 196 C ASP A 14 -3.945 -0.714 -1.099 1.00 0.00 C ATOM 197 O ASP A 14 -3.326 0.344 -1.213 1.00 0.00 O ATOM 198 CB ASP A 14 -6.053 0.257 -2.034 1.00 0.00 C ATOM 199 CG ASP A 14 -7.538 0.046 -2.253 1.00 0.00 C ATOM 200 OD1 ASP A 14 -8.289 0.032 -1.256 1.00 0.00 O ATOM 201 OD2 ASP A 14 -7.950 -0.107 -3.423 1.00 0.00 O ATOM 0 H ASP A 14 -6.551 0.416 0.374 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.822 -1.727 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.880 1.278 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.529 0.145 -2.983 1.00 0.00 H new ATOM 206 N GLN A 15 -3.347 -1.900 -1.042 1.00 0.00 N ATOM 207 CA GLN A 15 -1.896 -2.027 -1.110 1.00 0.00 C ATOM 208 C GLN A 15 -1.432 -2.198 -2.553 1.00 0.00 C ATOM 209 O GLN A 15 -0.762 -1.326 -3.108 1.00 0.00 O ATOM 210 CB GLN A 15 -1.428 -3.215 -0.268 1.00 0.00 C ATOM 211 CG GLN A 15 -1.836 -3.123 1.194 1.00 0.00 C ATOM 212 CD GLN A 15 -0.824 -3.762 2.124 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.916 -4.950 2.437 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.149 -2.977 2.571 1.00 0.00 N ATOM 0 H GLN A 15 -3.844 -2.786 -0.949 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.457 -1.112 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.834 -4.133 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.342 -3.288 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.963 -2.075 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.803 -3.607 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.186 -1.998 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.859 -3.353 3.200 1.00 0.00 H new ATOM 223 N CYS A 16 -1.792 -3.326 -3.156 1.00 0.00 N ATOM 224 CA CYS A 16 -1.412 -3.612 -4.534 1.00 0.00 C ATOM 225 C CYS A 16 -1.515 -2.358 -5.398 1.00 0.00 C ATOM 226 O CYS A 16 -2.349 -1.487 -5.151 1.00 0.00 O ATOM 227 CB CYS A 16 -2.300 -4.716 -5.111 1.00 0.00 C ATOM 228 SG CYS A 16 -2.694 -6.046 -3.930 1.00 0.00 S ATOM 0 H CYS A 16 -2.347 -4.057 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.376 -3.950 -4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.230 -4.272 -5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.804 -5.150 -5.979 1.00 0.00 H new ATOM 233 N CYS A 17 -0.661 -2.274 -6.413 1.00 0.00 N ATOM 234 CA CYS A 17 -0.654 -1.128 -7.314 1.00 0.00 C ATOM 235 C CYS A 17 -1.931 -1.085 -8.149 1.00 0.00 C ATOM 236 O CYS A 17 -2.823 -1.917 -7.983 1.00 0.00 O ATOM 237 CB CYS A 17 0.568 -1.183 -8.234 1.00 0.00 C ATOM 238 SG CYS A 17 1.875 0.011 -7.805 1.00 0.00 S ATOM 0 H CYS A 17 0.035 -2.986 -6.632 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.605 -0.222 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.986 -2.189 -8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.246 -1.001 -9.259 1.00 0.00 H new ATOM 243 N LYS A 18 -2.011 -0.109 -9.047 1.00 0.00 N ATOM 244 CA LYS A 18 -3.177 0.044 -9.909 1.00 0.00 C ATOM 245 C LYS A 18 -2.986 -0.711 -11.221 1.00 0.00 C ATOM 246 O LYS A 18 -3.495 -1.819 -11.391 1.00 0.00 O ATOM 247 CB LYS A 18 -3.436 1.525 -10.194 1.00 0.00 C ATOM 248 CG LYS A 18 -3.600 2.366 -8.939 1.00 0.00 C ATOM 249 CD LYS A 18 -4.494 1.679 -7.921 1.00 0.00 C ATOM 250 CE LYS A 18 -4.845 2.610 -6.770 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.913 3.578 -7.146 1.00 0.00 N ATOM 0 H LYS A 18 -1.282 0.588 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.039 -0.376 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.610 1.923 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.335 1.617 -10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.622 2.556 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.024 3.335 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.408 1.340 -8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.992 0.793 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.174 2.021 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.954 3.155 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.124 4.195 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.590 4.157 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.772 3.059 -7.419 1.00 0.00 H new ATOM 265 N SER A 19 -2.248 -0.104 -12.145 1.00 0.00 N ATOM 266 CA SER A 19 -1.992 -0.718 -13.443 1.00 0.00 C ATOM 267 C SER A 19 -1.268 -2.051 -13.279 1.00 0.00 C ATOM 268 O SER A 19 -1.278 -2.890 -14.180 1.00 0.00 O ATOM 269 CB SER A 19 -1.162 0.221 -14.320 1.00 0.00 C ATOM 270 OG SER A 19 -1.894 1.388 -14.653 1.00 0.00 O ATOM 0 H SER A 19 -1.817 0.812 -12.019 1.00 0.00 H new ATOM 0 HA SER A 19 -2.951 -0.902 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.247 0.499 -13.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.863 -0.297 -15.231 1.00 0.00 H new ATOM 0 HG SER A 19 -1.341 1.973 -15.212 1.00 0.00 H new ATOM 276 N SER A 20 -0.641 -2.239 -12.123 1.00 0.00 N ATOM 277 CA SER A 20 0.091 -3.468 -11.841 1.00 0.00 C ATOM 278 C SER A 20 -0.824 -4.684 -11.953 1.00 0.00 C ATOM 279 O SER A 20 -2.027 -4.595 -11.709 1.00 0.00 O ATOM 280 CB SER A 20 0.711 -3.409 -10.443 1.00 0.00 C ATOM 281 OG SER A 20 -0.281 -3.545 -9.440 1.00 0.00 O ATOM 0 H SER A 20 -0.625 -1.556 -11.366 1.00 0.00 H new ATOM 0 HA SER A 20 0.887 -3.565 -12.580 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.452 -4.201 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.236 -2.462 -10.314 1.00 0.00 H new ATOM 0 HG SER A 20 -1.125 -3.165 -9.761 1.00 0.00 H new ATOM 287 N LYS A 21 -0.245 -5.821 -12.324 1.00 0.00 N ATOM 288 CA LYS A 21 -1.005 -7.056 -12.468 1.00 0.00 C ATOM 289 C LYS A 21 -1.115 -7.787 -11.133 1.00 0.00 C ATOM 290 O LYS A 21 -2.035 -8.577 -10.920 1.00 0.00 O ATOM 291 CB LYS A 21 -0.347 -7.967 -13.507 1.00 0.00 C ATOM 292 CG LYS A 21 -0.281 -7.356 -14.896 1.00 0.00 C ATOM 293 CD LYS A 21 0.764 -8.044 -15.758 1.00 0.00 C ATOM 294 CE LYS A 21 2.166 -7.551 -15.435 1.00 0.00 C ATOM 295 NZ LYS A 21 2.449 -6.231 -16.064 1.00 0.00 N ATOM 0 H LYS A 21 0.750 -5.912 -12.531 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.009 -6.797 -12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.663 -8.210 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.900 -8.905 -13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.257 -7.433 -15.375 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.047 -6.294 -14.817 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.712 -9.122 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.547 -7.861 -16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.283 -7.471 -14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.897 -8.282 -15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.414 -5.930 -15.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.363 -6.313 -17.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.768 -5.527 -15.715 1.00 0.00 H new ATOM 309 N LEU A 22 -0.172 -7.516 -10.237 1.00 0.00 N ATOM 310 CA LEU A 22 -0.163 -8.146 -8.922 1.00 0.00 C ATOM 311 C LEU A 22 -1.577 -8.252 -8.359 1.00 0.00 C ATOM 312 O LEU A 22 -2.170 -7.253 -7.951 1.00 0.00 O ATOM 313 CB LEU A 22 0.723 -7.353 -7.960 1.00 0.00 C ATOM 314 CG LEU A 22 1.194 -5.985 -8.455 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.390 -5.032 -7.286 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.481 -6.122 -9.255 1.00 0.00 C ATOM 0 H LEU A 22 0.596 -6.864 -10.398 1.00 0.00 H new ATOM 0 HA LEU A 22 0.241 -9.152 -9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.177 -7.211 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.601 -7.955 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 22 0.425 -5.572 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.725 -4.064 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.446 -4.909 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.139 -5.439 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.802 -5.139 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.257 -6.556 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.308 -6.769 -10.115 1.00 0.00 H new ATOM 328 N VAL A 23 -2.111 -9.469 -8.338 1.00 0.00 N ATOM 329 CA VAL A 23 -3.454 -9.706 -7.822 1.00 0.00 C ATOM 330 C VAL A 23 -3.407 -10.280 -6.411 1.00 0.00 C ATOM 331 O VAL A 23 -2.489 -11.022 -6.061 1.00 0.00 O ATOM 332 CB VAL A 23 -4.243 -10.668 -8.730 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.544 -12.016 -8.815 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.669 -10.828 -8.226 1.00 0.00 C ATOM 0 H VAL A 23 -1.634 -10.306 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.960 -8.741 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.283 -10.243 -9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.116 -12.682 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.544 -11.882 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.471 -12.451 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.211 -11.511 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.654 -11.230 -7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.165 -9.857 -8.224 1.00 0.00 H new ATOM 344 N CYS A 24 -4.404 -9.933 -5.603 1.00 0.00 N ATOM 345 CA CYS A 24 -4.478 -10.414 -4.229 1.00 0.00 C ATOM 346 C CYS A 24 -5.763 -11.204 -3.997 1.00 0.00 C ATOM 347 O CYS A 24 -5.800 -12.122 -3.178 1.00 0.00 O ATOM 348 CB CYS A 24 -4.405 -9.239 -3.251 1.00 0.00 C ATOM 349 SG CYS A 24 -5.312 -9.511 -1.695 1.00 0.00 S ATOM 0 H CYS A 24 -5.172 -9.320 -5.877 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.629 -11.076 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.359 -9.037 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.801 -8.348 -3.739 1.00 0.00 H new ATOM 354 N SER A 25 -6.814 -10.840 -4.725 1.00 0.00 N ATOM 355 CA SER A 25 -8.102 -11.512 -4.597 1.00 0.00 C ATOM 356 C SER A 25 -8.053 -12.904 -5.219 1.00 0.00 C ATOM 357 O SER A 25 -8.348 -13.901 -4.561 1.00 0.00 O ATOM 358 CB SER A 25 -9.202 -10.682 -5.261 1.00 0.00 C ATOM 359 OG SER A 25 -10.462 -11.319 -5.145 1.00 0.00 O ATOM 0 H SER A 25 -6.799 -10.084 -5.409 1.00 0.00 H new ATOM 0 HA SER A 25 -8.326 -11.616 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.246 -9.695 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.963 -10.531 -6.314 1.00 0.00 H new ATOM 0 HG SER A 25 -11.148 -10.768 -5.576 1.00 0.00 H new ATOM 365 N ARG A 26 -7.677 -12.963 -6.493 1.00 0.00 N ATOM 366 CA ARG A 26 -7.591 -14.231 -7.206 1.00 0.00 C ATOM 367 C ARG A 26 -6.873 -15.281 -6.362 1.00 0.00 C ATOM 368 O ARG A 26 -7.411 -16.358 -6.101 1.00 0.00 O ATOM 369 CB ARG A 26 -6.859 -14.044 -8.536 1.00 0.00 C ATOM 370 CG ARG A 26 -7.727 -13.443 -9.630 1.00 0.00 C ATOM 371 CD ARG A 26 -7.026 -13.476 -10.979 1.00 0.00 C ATOM 372 NE ARG A 26 -7.044 -14.811 -11.572 1.00 0.00 N ATOM 373 CZ ARG A 26 -8.140 -15.388 -12.050 1.00 0.00 C ATOM 374 NH1 ARG A 26 -9.302 -14.751 -12.005 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.076 -16.605 -12.575 1.00 0.00 N ATOM 0 H ARG A 26 -7.427 -12.147 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.605 -14.578 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.993 -13.402 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.482 -15.010 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.666 -13.992 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.976 -12.413 -9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.509 -12.772 -11.656 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.994 -13.146 -10.860 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.166 -15.328 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.355 -13.815 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.142 -15.197 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.184 -17.098 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.919 -17.047 -12.942 1.00 0.00 H new ATOM 389 N LYS A 27 -5.656 -14.961 -5.938 1.00 0.00 N ATOM 390 CA LYS A 27 -4.864 -15.875 -5.123 1.00 0.00 C ATOM 391 C LYS A 27 -5.034 -15.567 -3.639 1.00 0.00 C ATOM 392 O LYS A 27 -5.912 -14.796 -3.251 1.00 0.00 O ATOM 393 CB LYS A 27 -3.385 -15.782 -5.508 1.00 0.00 C ATOM 394 CG LYS A 27 -2.701 -17.134 -5.621 1.00 0.00 C ATOM 395 CD LYS A 27 -2.706 -17.643 -7.053 1.00 0.00 C ATOM 396 CE LYS A 27 -4.032 -18.300 -7.406 1.00 0.00 C ATOM 397 NZ LYS A 27 -4.279 -19.522 -6.592 1.00 0.00 N ATOM 0 H LYS A 27 -5.196 -14.075 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.219 -16.889 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.298 -15.259 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.862 -15.180 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.674 -17.054 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.206 -17.853 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.516 -16.815 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.896 -18.360 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.843 -17.589 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.038 -18.561 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.441 -20.333 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.452 -19.712 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.117 -19.377 -5.993 1.00 0.00 H new ATOM 411 N THR A 28 -4.188 -16.173 -2.813 1.00 0.00 N ATOM 412 CA THR A 28 -4.244 -15.964 -1.371 1.00 0.00 C ATOM 413 C THR A 28 -4.214 -14.478 -1.030 1.00 0.00 C ATOM 414 O THR A 28 -4.055 -13.633 -1.910 1.00 0.00 O ATOM 415 CB THR A 28 -3.076 -16.667 -0.655 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.461 -17.615 -1.535 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.560 -17.375 0.602 1.00 0.00 C ATOM 0 H THR A 28 -3.455 -16.813 -3.118 1.00 0.00 H new ATOM 0 HA THR A 28 -5.184 -16.395 -1.025 1.00 0.00 H new ATOM 0 HB THR A 28 -2.346 -15.910 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.718 -18.056 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.718 -17.864 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.002 -16.647 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.308 -18.121 0.334 1.00 0.00 H new ATOM 425 N ARG A 29 -4.368 -14.168 0.253 1.00 0.00 N ATOM 426 CA ARG A 29 -4.359 -12.783 0.710 1.00 0.00 C ATOM 427 C ARG A 29 -3.133 -12.044 0.181 1.00 0.00 C ATOM 428 O ARG A 29 -3.117 -10.815 0.116 1.00 0.00 O ATOM 429 CB ARG A 29 -4.380 -12.729 2.239 1.00 0.00 C ATOM 430 CG ARG A 29 -3.391 -13.677 2.896 1.00 0.00 C ATOM 431 CD ARG A 29 -1.966 -13.159 2.788 1.00 0.00 C ATOM 432 NE ARG A 29 -1.276 -13.181 4.075 1.00 0.00 N ATOM 433 CZ ARG A 29 0.046 -13.141 4.201 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.816 -13.075 3.124 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.599 -13.165 5.407 1.00 0.00 N ATOM 0 H ARG A 29 -4.500 -14.856 0.994 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.252 -12.293 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.163 -11.711 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.385 -12.966 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.653 -13.807 3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.459 -14.658 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.413 -13.765 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.979 -12.140 2.401 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.840 -13.230 4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.394 -13.055 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.831 -13.044 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.009 -13.214 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.614 -13.134 5.503 1.00 0.00 H new ATOM 449 N ALA A 30 -2.108 -12.802 -0.196 1.00 0.00 N ATOM 450 CA ALA A 30 -0.880 -12.219 -0.720 1.00 0.00 C ATOM 451 C ALA A 30 -1.086 -11.681 -2.132 1.00 0.00 C ATOM 452 O ALA A 30 -1.757 -12.307 -2.954 1.00 0.00 O ATOM 453 CB ALA A 30 0.241 -13.248 -0.704 1.00 0.00 C ATOM 0 H ALA A 30 -2.104 -13.821 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.601 -11.383 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.153 -12.799 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.414 -13.582 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.040 -14.101 -1.322 1.00 0.00 H new ATOM 459 N CYS A 31 -0.506 -10.518 -2.407 1.00 0.00 N ATOM 460 CA CYS A 31 -0.627 -9.894 -3.719 1.00 0.00 C ATOM 461 C CYS A 31 0.622 -10.145 -4.558 1.00 0.00 C ATOM 462 O CYS A 31 1.718 -9.704 -4.209 1.00 0.00 O ATOM 463 CB CYS A 31 -0.863 -8.390 -3.572 1.00 0.00 C ATOM 464 SG CYS A 31 -1.981 -7.686 -4.826 1.00 0.00 S ATOM 0 H CYS A 31 0.053 -9.988 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.481 -10.340 -4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.275 -8.193 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.096 -7.876 -3.626 1.00 0.00 H new ATOM 469 N LYS A 32 0.450 -10.856 -5.668 1.00 0.00 N ATOM 470 CA LYS A 32 1.562 -11.166 -6.559 1.00 0.00 C ATOM 471 C LYS A 32 1.099 -11.213 -8.011 1.00 0.00 C ATOM 472 O LYS A 32 -0.050 -11.552 -8.295 1.00 0.00 O ATOM 473 CB LYS A 32 2.196 -12.503 -6.171 1.00 0.00 C ATOM 474 CG LYS A 32 1.398 -13.711 -6.631 1.00 0.00 C ATOM 475 CD LYS A 32 1.221 -14.722 -5.511 1.00 0.00 C ATOM 476 CE LYS A 32 2.226 -15.859 -5.623 1.00 0.00 C ATOM 477 NZ LYS A 32 3.630 -15.364 -5.586 1.00 0.00 N ATOM 0 H LYS A 32 -0.450 -11.228 -5.972 1.00 0.00 H new ATOM 0 HA LYS A 32 2.306 -10.376 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.198 -12.557 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.306 -12.542 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.420 -13.388 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.905 -14.184 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.338 -14.225 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.209 -15.125 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.068 -16.565 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.057 -16.403 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.279 -16.143 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.747 -14.599 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.846 -15.004 -4.635 1.00 0.00 H new ATOM 491 N TYR A 33 1.999 -10.872 -8.926 1.00 0.00 N ATOM 492 CA TYR A 33 1.682 -10.875 -10.349 1.00 0.00 C ATOM 493 C TYR A 33 1.356 -12.284 -10.832 1.00 0.00 C ATOM 494 O TYR A 33 2.020 -13.250 -10.456 1.00 0.00 O ATOM 495 CB TYR A 33 2.851 -10.306 -11.155 1.00 0.00 C ATOM 496 CG TYR A 33 4.017 -11.259 -11.286 1.00 0.00 C ATOM 497 CD1 TYR A 33 4.900 -11.457 -10.232 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.236 -11.962 -12.465 1.00 0.00 C ATOM 499 CE1 TYR A 33 5.967 -12.327 -10.348 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.299 -12.835 -12.589 1.00 0.00 C ATOM 501 CZ TYR A 33 6.162 -13.014 -11.528 1.00 0.00 C ATOM 502 OH TYR A 33 7.223 -13.882 -11.648 1.00 0.00 O ATOM 0 H TYR A 33 2.955 -10.590 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 33 0.804 -10.246 -10.500 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.498 -10.038 -12.151 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.195 -9.387 -10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.750 -10.922 -9.306 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.563 -11.823 -13.298 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.645 -12.468 -9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.454 -13.375 -13.512 1.00 0.00 H new ATOM 0 HH TYR A 33 7.216 -14.285 -12.541 1.00 0.00 H new ATOM 512 N GLN A 34 0.328 -12.394 -11.667 1.00 0.00 N ATOM 513 CA GLN A 34 -0.088 -13.685 -12.202 1.00 0.00 C ATOM 514 C GLN A 34 1.082 -14.399 -12.871 1.00 0.00 C ATOM 515 O GLN A 34 2.001 -13.759 -13.384 1.00 0.00 O ATOM 516 CB GLN A 34 -1.229 -13.502 -13.204 1.00 0.00 C ATOM 517 CG GLN A 34 -0.802 -12.825 -14.496 1.00 0.00 C ATOM 518 CD GLN A 34 -1.910 -11.993 -15.113 1.00 0.00 C ATOM 519 OE1 GLN A 34 -2.898 -11.669 -14.454 1.00 0.00 O ATOM 520 NE2 GLN A 34 -1.750 -11.644 -16.384 1.00 0.00 N ATOM 0 H GLN A 34 -0.232 -11.604 -11.988 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.438 -14.298 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.655 -14.477 -13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.019 -12.912 -12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.060 -12.187 -14.300 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.481 -13.583 -15.210 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.914 -11.935 -16.892 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.463 -11.085 -16.853 1.00 0.00 H new ATOM 529 N ILE A 35 1.042 -15.727 -12.861 1.00 0.00 N ATOM 530 CA ILE A 35 2.099 -16.527 -13.467 1.00 0.00 C ATOM 531 C ILE A 35 2.040 -16.454 -14.989 1.00 0.00 C ATOM 532 O ILE A 35 3.071 -16.385 -15.658 1.00 0.00 O ATOM 533 CB ILE A 35 2.008 -18.002 -13.032 1.00 0.00 C ATOM 534 CG1 ILE A 35 0.984 -18.748 -13.889 1.00 0.00 C ATOM 535 CG2 ILE A 35 1.643 -18.098 -11.558 1.00 0.00 C ATOM 536 CD1 ILE A 35 -0.385 -18.103 -13.893 1.00 0.00 C ATOM 0 H ILE A 35 0.289 -16.272 -12.440 1.00 0.00 H new ATOM 0 HA ILE A 35 3.046 -16.112 -13.122 1.00 0.00 H new ATOM 0 HB ILE A 35 2.983 -18.468 -13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.353 -18.806 -14.913 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.894 -19.771 -13.525 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.582 -19.146 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.406 -17.598 -10.961 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.679 -17.618 -11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.060 -18.685 -14.521 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.774 -18.069 -12.875 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.308 -17.089 -14.286 1.00 0.00 H new TER 548 ILE A 35