USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 41 SER OG : rot 48:sc= 0.978 USER MOD Set 1.2: A 43 THR OG1 : rot -110:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -0.259 USER MOD Set 2.2: A 29 THR OG1 : rot 137:sc= 1.1 USER MOD Set 2.3: A 31 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -0.163 (180deg=-0.637) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.228 K(o=0.23,f=-7.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 136:sc= 0.043 (180deg=-3.14!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00395 (180deg=-0.0804) USER MOD Single : A 26 ASN : amide:sc=-0.00299 X(o=-0.003,f=-0.096) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -87:sc= 0.03 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.18! K(o=-4.2!,f=-0.081) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 1.31 (180deg=-0.115) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.772 5.315 10.645 1.00 0.00 N ATOM 2 CA ARG A 1 5.420 5.263 9.315 1.00 0.00 C ATOM 3 C ARG A 1 6.222 3.966 9.185 1.00 0.00 C ATOM 4 O ARG A 1 7.068 3.674 10.031 1.00 0.00 O ATOM 5 CB ARG A 1 6.328 6.490 9.189 1.00 0.00 C ATOM 6 CG ARG A 1 6.434 7.058 7.779 1.00 0.00 C ATOM 7 CD ARG A 1 5.155 7.773 7.346 1.00 0.00 C ATOM 8 NE ARG A 1 5.275 8.380 6.016 1.00 0.00 N ATOM 9 CZ ARG A 1 4.335 9.146 5.461 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.238 9.439 6.145 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.526 9.660 4.250 1.00 0.00 N ATOM 0 H1 ARG A 1 4.228 6.197 10.732 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.133 4.502 10.752 1.00 0.00 H new ATOM 0 H3 ARG A 1 5.500 5.283 11.387 1.00 0.00 H new ATOM 0 HA ARG A 1 4.678 5.275 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.957 7.270 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.327 6.224 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.271 7.755 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.651 6.251 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.328 7.063 7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.910 8.546 8.074 1.00 0.00 H new ATOM 0 HE ARG A 1 6.128 8.206 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.116 9.079 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.516 10.025 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.391 9.468 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.807 10.246 3.825 1.00 0.00 H new ATOM 27 N ILE A 2 5.955 3.190 8.137 1.00 0.00 N ATOM 28 CA ILE A 2 6.661 1.923 7.930 1.00 0.00 C ATOM 29 C ILE A 2 7.231 1.841 6.510 1.00 0.00 C ATOM 30 O ILE A 2 6.572 2.247 5.551 1.00 0.00 O ATOM 31 CB ILE A 2 5.761 0.681 8.246 1.00 0.00 C ATOM 32 CG1 ILE A 2 6.603 -0.589 8.379 1.00 0.00 C ATOM 33 CG2 ILE A 2 4.688 0.467 7.190 1.00 0.00 C ATOM 34 CD1 ILE A 2 5.780 -1.832 8.639 1.00 0.00 C ATOM 0 H ILE A 2 5.262 3.411 7.422 1.00 0.00 H new ATOM 0 HA ILE A 2 7.490 1.901 8.637 1.00 0.00 H new ATOM 0 HB ILE A 2 5.269 0.890 9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.181 -0.730 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.317 -0.459 9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.089 -0.405 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.046 1.347 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.159 0.306 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.441 -2.695 8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.222 -1.711 9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.084 -1.986 7.815 1.00 0.00 H new ATOM 46 N PRO A 3 8.487 1.366 6.377 1.00 0.00 N ATOM 47 CA PRO A 3 9.205 1.262 5.094 1.00 0.00 C ATOM 48 C PRO A 3 8.431 0.580 3.965 1.00 0.00 C ATOM 49 O PRO A 3 7.542 -0.246 4.190 1.00 0.00 O ATOM 50 CB PRO A 3 10.457 0.435 5.438 1.00 0.00 C ATOM 51 CG PRO A 3 10.245 -0.068 6.823 1.00 0.00 C ATOM 52 CD PRO A 3 9.345 0.933 7.485 1.00 0.00 C ATOM 0 HA PRO A 3 9.402 2.261 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.585 -0.391 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.358 1.046 5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.790 -1.058 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.191 -0.157 7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.768 0.487 8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.906 1.764 7.913 1.00 0.00 H new ATOM 60 N VAL A 4 8.815 0.932 2.745 1.00 0.00 N ATOM 61 CA VAL A 4 8.220 0.380 1.533 1.00 0.00 C ATOM 62 C VAL A 4 9.311 -0.294 0.702 1.00 0.00 C ATOM 63 O VAL A 4 10.477 0.107 0.756 1.00 0.00 O ATOM 64 CB VAL A 4 7.520 1.492 0.708 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.015 0.956 -0.615 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.366 2.094 1.494 1.00 0.00 C ATOM 0 H VAL A 4 9.553 1.613 2.566 1.00 0.00 H new ATOM 0 HA VAL A 4 7.465 -0.356 1.808 1.00 0.00 H new ATOM 0 HB VAL A 4 8.258 2.269 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.529 1.758 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.853 0.569 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.299 0.155 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.887 2.872 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.639 1.316 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.743 2.526 2.421 1.00 0.00 H new ATOM 76 N LYS A 5 8.944 -1.334 -0.038 1.00 0.00 N ATOM 77 CA LYS A 5 9.912 -2.063 -0.844 1.00 0.00 C ATOM 78 C LYS A 5 9.726 -1.842 -2.341 1.00 0.00 C ATOM 79 O LYS A 5 10.266 -0.898 -2.919 1.00 0.00 O ATOM 80 CB LYS A 5 9.819 -3.566 -0.554 1.00 0.00 C ATOM 81 CG LYS A 5 10.828 -4.091 0.455 1.00 0.00 C ATOM 82 CD LYS A 5 12.270 -3.845 0.026 1.00 0.00 C ATOM 83 CE LYS A 5 13.243 -4.212 1.136 1.00 0.00 C ATOM 84 NZ LYS A 5 12.966 -3.466 2.396 1.00 0.00 N ATOM 0 H LYS A 5 7.989 -1.688 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 5 10.893 -1.676 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.816 -3.789 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.948 -4.110 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.654 -3.614 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.672 -5.161 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.492 -4.432 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.399 -2.796 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.184 -5.283 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.261 -4.003 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.808 -3.490 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.730 -2.479 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.167 -3.908 2.893 1.00 0.00 H new ATOM 98 N TYR A 6 9.011 -2.770 -2.961 1.00 0.00 N ATOM 99 CA TYR A 6 8.793 -2.757 -4.400 1.00 0.00 C ATOM 100 C TYR A 6 7.509 -2.022 -4.774 1.00 0.00 C ATOM 101 O TYR A 6 6.692 -1.700 -3.913 1.00 0.00 O ATOM 102 CB TYR A 6 8.763 -4.208 -4.904 1.00 0.00 C ATOM 103 CG TYR A 6 9.951 -5.034 -4.424 1.00 0.00 C ATOM 104 CD1 TYR A 6 11.174 -4.431 -4.122 1.00 0.00 C ATOM 105 CD2 TYR A 6 9.853 -6.413 -4.266 1.00 0.00 C ATOM 106 CE1 TYR A 6 12.248 -5.173 -3.678 1.00 0.00 C ATOM 107 CE2 TYR A 6 10.926 -7.158 -3.820 1.00 0.00 C ATOM 108 CZ TYR A 6 12.120 -6.535 -3.526 1.00 0.00 C ATOM 109 OH TYR A 6 13.192 -7.273 -3.082 1.00 0.00 O ATOM 0 H TYR A 6 8.566 -3.552 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 6 9.610 -2.215 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.840 -4.683 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.746 -4.207 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.281 -3.363 -4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.922 -6.909 -4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.186 -4.688 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.830 -8.227 -3.702 1.00 0.00 H new ATOM 0 HH TYR A 6 12.938 -8.218 -3.028 1.00 0.00 H new ATOM 119 N GLY A 7 7.350 -1.754 -6.062 1.00 0.00 N ATOM 120 CA GLY A 7 6.183 -1.049 -6.555 1.00 0.00 C ATOM 121 C GLY A 7 6.573 0.204 -7.297 1.00 0.00 C ATOM 122 O GLY A 7 7.649 0.263 -7.896 1.00 0.00 O ATOM 0 H GLY A 7 8.020 -2.017 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.613 -1.702 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.531 -0.792 -5.720 1.00 0.00 H new ATOM 126 N ASN A 8 5.714 1.206 -7.273 1.00 0.00 N ATOM 127 CA ASN A 8 6.010 2.452 -7.968 1.00 0.00 C ATOM 128 C ASN A 8 6.319 3.582 -6.985 1.00 0.00 C ATOM 129 O ASN A 8 6.351 4.758 -7.358 1.00 0.00 O ATOM 130 CB ASN A 8 4.865 2.824 -8.916 1.00 0.00 C ATOM 131 CG ASN A 8 3.659 3.404 -8.212 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.302 2.989 -7.109 1.00 0.00 O ATOM 133 ND2 ASN A 8 2.999 4.348 -8.863 1.00 0.00 N ATOM 0 H ASN A 8 4.817 1.187 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 8 6.907 2.300 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.230 3.545 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.560 1.936 -9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.161 4.760 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.328 4.664 -9.775 1.00 0.00 H new ATOM 140 N ALA A 9 6.583 3.211 -5.735 1.00 0.00 N ATOM 141 CA ALA A 9 6.936 4.165 -4.701 1.00 0.00 C ATOM 142 C ALA A 9 8.449 4.321 -4.677 1.00 0.00 C ATOM 143 O ALA A 9 9.182 3.331 -4.713 1.00 0.00 O ATOM 144 CB ALA A 9 6.401 3.717 -3.354 1.00 0.00 C ATOM 0 H ALA A 9 6.557 2.242 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 9 6.483 5.132 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.677 4.446 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.315 3.636 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.826 2.747 -3.098 1.00 0.00 H new ATOM 150 N ASP A 10 8.907 5.562 -4.675 1.00 0.00 N ATOM 151 CA ASP A 10 10.332 5.855 -4.716 1.00 0.00 C ATOM 152 C ASP A 10 11.023 5.558 -3.394 1.00 0.00 C ATOM 153 O ASP A 10 11.981 4.782 -3.353 1.00 0.00 O ATOM 154 CB ASP A 10 10.562 7.313 -5.116 1.00 0.00 C ATOM 155 CG ASP A 10 9.827 7.674 -6.386 1.00 0.00 C ATOM 156 OD1 ASP A 10 8.596 7.869 -6.325 1.00 0.00 O ATOM 157 OD2 ASP A 10 10.466 7.723 -7.451 1.00 0.00 O ATOM 0 H ASP A 10 8.309 6.388 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 10 10.774 5.198 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.233 7.967 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.629 7.487 -5.253 1.00 0.00 H new ATOM 162 N GLY A 11 10.562 6.180 -2.319 1.00 0.00 N ATOM 163 CA GLY A 11 11.185 5.954 -1.033 1.00 0.00 C ATOM 164 C GLY A 11 10.322 6.393 0.127 1.00 0.00 C ATOM 165 O GLY A 11 10.791 6.465 1.263 1.00 0.00 O ATOM 0 H GLY A 11 9.776 6.830 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.413 4.893 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.134 6.490 -0.996 1.00 0.00 H new ATOM 169 N GLU A 12 9.059 6.677 -0.153 1.00 0.00 N ATOM 170 CA GLU A 12 8.129 7.099 0.881 1.00 0.00 C ATOM 171 C GLU A 12 7.684 5.900 1.702 1.00 0.00 C ATOM 172 O GLU A 12 7.898 4.757 1.301 1.00 0.00 O ATOM 173 CB GLU A 12 6.916 7.803 0.259 1.00 0.00 C ATOM 174 CG GLU A 12 7.152 9.272 -0.069 1.00 0.00 C ATOM 175 CD GLU A 12 8.325 9.498 -0.997 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.260 9.058 -2.163 1.00 0.00 O ATOM 177 OE2 GLU A 12 9.313 10.113 -0.555 1.00 0.00 O ATOM 0 H GLU A 12 8.655 6.623 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 12 8.635 7.806 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.633 7.279 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.073 7.726 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.252 9.684 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.320 9.821 0.857 1.00 0.00 H new ATOM 184 N TYR A 13 7.079 6.157 2.853 1.00 0.00 N ATOM 185 CA TYR A 13 6.622 5.075 3.716 1.00 0.00 C ATOM 186 C TYR A 13 5.103 4.974 3.679 1.00 0.00 C ATOM 187 O TYR A 13 4.434 5.814 3.077 1.00 0.00 O ATOM 188 CB TYR A 13 7.108 5.253 5.158 1.00 0.00 C ATOM 189 CG TYR A 13 8.595 5.504 5.294 1.00 0.00 C ATOM 190 CD1 TYR A 13 9.159 6.708 4.894 1.00 0.00 C ATOM 191 CD2 TYR A 13 9.434 4.533 5.820 1.00 0.00 C ATOM 192 CE1 TYR A 13 10.514 6.938 5.015 1.00 0.00 C ATOM 193 CE2 TYR A 13 10.789 4.753 5.945 1.00 0.00 C ATOM 194 CZ TYR A 13 11.326 5.956 5.541 1.00 0.00 C ATOM 195 OH TYR A 13 12.677 6.179 5.666 1.00 0.00 O ATOM 0 H TYR A 13 6.894 7.095 3.209 1.00 0.00 H new ATOM 0 HA TYR A 13 7.051 4.148 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.569 6.086 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.850 4.360 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.525 7.479 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.018 3.588 6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.936 7.881 4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.427 3.986 6.358 1.00 0.00 H new ATOM 0 HH TYR A 13 13.105 5.388 6.055 1.00 0.00 H new ATOM 205 N CYS A 14 4.557 3.939 4.307 1.00 0.00 N ATOM 206 CA CYS A 14 3.113 3.738 4.317 1.00 0.00 C ATOM 207 C CYS A 14 2.396 4.831 5.100 1.00 0.00 C ATOM 208 O CYS A 14 2.847 5.251 6.167 1.00 0.00 O ATOM 209 CB CYS A 14 2.768 2.378 4.918 1.00 0.00 C ATOM 210 SG CYS A 14 3.441 0.956 4.001 1.00 0.00 S ATOM 0 H CYS A 14 5.088 3.230 4.813 1.00 0.00 H new ATOM 0 HA CYS A 14 2.775 3.779 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.139 2.343 5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.683 2.282 4.969 1.00 0.00 H new ATOM 215 N LYS A 15 1.263 5.278 4.568 1.00 0.00 N ATOM 216 CA LYS A 15 0.461 6.304 5.217 1.00 0.00 C ATOM 217 C LYS A 15 -0.857 5.686 5.664 1.00 0.00 C ATOM 218 O LYS A 15 -1.784 5.536 4.866 1.00 0.00 O ATOM 219 CB LYS A 15 0.208 7.472 4.251 1.00 0.00 C ATOM 220 CG LYS A 15 -0.187 8.784 4.925 1.00 0.00 C ATOM 221 CD LYS A 15 -1.612 8.776 5.475 1.00 0.00 C ATOM 222 CE LYS A 15 -2.653 9.003 4.383 1.00 0.00 C ATOM 223 NZ LYS A 15 -2.810 7.829 3.483 1.00 0.00 N ATOM 0 H LYS A 15 0.880 4.942 3.684 1.00 0.00 H new ATOM 0 HA LYS A 15 0.993 6.694 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.109 7.639 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.580 7.185 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.508 8.990 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.087 9.598 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.805 7.822 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.711 9.551 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.613 9.232 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.368 9.873 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.821 7.654 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.336 8.020 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.383 6.991 3.927 1.00 0.00 H new ATOM 237 N PHE A 16 -0.932 5.312 6.931 1.00 0.00 N ATOM 238 CA PHE A 16 -2.136 4.697 7.472 1.00 0.00 C ATOM 239 C PHE A 16 -2.998 5.739 8.180 1.00 0.00 C ATOM 240 O PHE A 16 -2.498 6.528 8.978 1.00 0.00 O ATOM 241 CB PHE A 16 -1.779 3.585 8.459 1.00 0.00 C ATOM 242 CG PHE A 16 -0.878 2.521 7.903 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.201 1.852 6.735 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.284 2.178 8.567 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.378 0.858 6.243 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.116 1.190 8.081 1.00 0.00 C ATOM 247 CZ PHE A 16 0.788 0.522 6.916 1.00 0.00 C ATOM 0 H PHE A 16 -0.174 5.423 7.605 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.695 4.271 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.298 4.031 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.700 3.117 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.105 2.110 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.545 2.691 9.481 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.643 0.341 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.023 0.939 8.611 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.434 -0.255 6.533 1.00 0.00 H new ATOM 257 N PRO A 17 -4.308 5.752 7.902 1.00 0.00 N ATOM 258 CA PRO A 17 -4.933 4.834 6.966 1.00 0.00 C ATOM 259 C PRO A 17 -4.977 5.383 5.543 1.00 0.00 C ATOM 260 O PRO A 17 -4.937 6.597 5.331 1.00 0.00 O ATOM 261 CB PRO A 17 -6.345 4.691 7.534 1.00 0.00 C ATOM 262 CG PRO A 17 -6.610 5.954 8.312 1.00 0.00 C ATOM 263 CD PRO A 17 -5.292 6.675 8.483 1.00 0.00 C ATOM 0 HA PRO A 17 -4.387 3.895 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.076 4.564 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.420 3.814 8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.325 6.585 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.047 5.720 9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.292 7.636 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.080 6.877 9.533 1.00 0.00 H new ATOM 271 N PHE A 18 -5.077 4.487 4.570 1.00 0.00 N ATOM 272 CA PHE A 18 -5.154 4.899 3.174 1.00 0.00 C ATOM 273 C PHE A 18 -6.503 4.499 2.598 1.00 0.00 C ATOM 274 O PHE A 18 -7.149 3.582 3.105 1.00 0.00 O ATOM 275 CB PHE A 18 -4.002 4.333 2.329 1.00 0.00 C ATOM 276 CG PHE A 18 -3.955 2.835 2.234 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.514 2.071 3.298 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.349 2.193 1.071 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.464 0.693 3.204 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.302 0.817 0.972 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.858 0.063 2.041 1.00 0.00 C ATOM 0 H PHE A 18 -5.107 3.478 4.719 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.053 5.984 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.076 4.743 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.059 4.684 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.205 2.556 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.697 2.776 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.116 0.108 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.612 0.330 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.819 -1.014 1.967 1.00 0.00 H new ATOM 291 N LEU A 19 -6.944 5.204 1.566 1.00 0.00 N ATOM 292 CA LEU A 19 -8.236 4.934 0.958 1.00 0.00 C ATOM 293 C LEU A 19 -8.115 4.011 -0.251 1.00 0.00 C ATOM 294 O LEU A 19 -7.580 4.392 -1.296 1.00 0.00 O ATOM 295 CB LEU A 19 -8.896 6.250 0.549 1.00 0.00 C ATOM 296 CG LEU A 19 -10.377 6.144 0.191 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.206 5.765 1.408 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.873 7.444 -0.421 1.00 0.00 C ATOM 0 H LEU A 19 -6.425 5.968 1.133 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.854 4.425 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.785 6.964 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.359 6.658 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.492 5.353 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.257 5.696 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.870 4.802 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.087 6.525 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.930 7.349 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.740 8.257 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.305 7.660 -1.326 1.00 0.00 H new ATOM 310 N PHE A 20 -8.646 2.804 -0.106 1.00 0.00 N ATOM 311 CA PHE A 20 -8.638 1.816 -1.177 1.00 0.00 C ATOM 312 C PHE A 20 -10.066 1.508 -1.595 1.00 0.00 C ATOM 313 O PHE A 20 -10.770 0.788 -0.888 1.00 0.00 O ATOM 314 CB PHE A 20 -7.993 0.507 -0.726 1.00 0.00 C ATOM 315 CG PHE A 20 -7.675 -0.441 -1.844 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.647 -0.026 -3.168 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.417 -1.763 -1.554 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.363 -0.927 -4.178 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.135 -2.668 -2.557 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.108 -2.251 -3.871 1.00 0.00 C ATOM 0 H PHE A 20 -9.092 2.483 0.753 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.065 2.234 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.074 0.735 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.661 0.010 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.848 1.007 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.436 -2.096 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.340 -0.597 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.936 -3.701 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.888 -2.957 -4.658 1.00 0.00 H new ATOM 330 N ASN A 21 -10.477 2.043 -2.739 1.00 0.00 N ATOM 331 CA ASN A 21 -11.825 1.825 -3.275 1.00 0.00 C ATOM 332 C ASN A 21 -12.920 2.210 -2.283 1.00 0.00 C ATOM 333 O ASN A 21 -14.044 1.718 -2.376 1.00 0.00 O ATOM 334 CB ASN A 21 -12.007 0.365 -3.710 1.00 0.00 C ATOM 335 CG ASN A 21 -11.387 0.085 -5.060 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.211 0.374 -5.287 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.170 -0.482 -5.965 1.00 0.00 N ATOM 0 H ASN A 21 -9.891 2.639 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.924 2.478 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.559 -0.292 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.071 0.129 -3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.805 -0.696 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.138 -0.704 -5.734 1.00 0.00 H new ATOM 344 N GLY A 22 -12.606 3.098 -1.349 1.00 0.00 N ATOM 345 CA GLY A 22 -13.596 3.530 -0.380 1.00 0.00 C ATOM 346 C GLY A 22 -13.415 2.926 0.999 1.00 0.00 C ATOM 347 O GLY A 22 -14.196 3.216 1.904 1.00 0.00 O ATOM 0 H GLY A 22 -11.686 3.526 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.558 4.616 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.588 3.273 -0.751 1.00 0.00 H new ATOM 351 N LYS A 23 -12.390 2.106 1.173 1.00 0.00 N ATOM 352 CA LYS A 23 -12.133 1.489 2.471 1.00 0.00 C ATOM 353 C LYS A 23 -10.770 1.925 2.999 1.00 0.00 C ATOM 354 O LYS A 23 -9.794 1.962 2.250 1.00 0.00 O ATOM 355 CB LYS A 23 -12.193 -0.040 2.370 1.00 0.00 C ATOM 356 CG LYS A 23 -12.226 -0.745 3.719 1.00 0.00 C ATOM 357 CD LYS A 23 -12.279 -2.253 3.561 1.00 0.00 C ATOM 358 CE LYS A 23 -12.556 -2.942 4.890 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.572 -2.566 5.943 1.00 0.00 N ATOM 0 H LYS A 23 -11.726 1.852 0.441 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.906 1.818 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.079 -0.323 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.328 -0.392 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.343 -0.470 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.094 -0.407 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.056 -2.518 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.333 -2.611 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.560 -2.684 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.535 -4.022 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.709 -3.171 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.607 -2.693 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.713 -1.571 6.210 1.00 0.00 H new ATOM 373 N GLU A 24 -10.710 2.264 4.280 1.00 0.00 N ATOM 374 CA GLU A 24 -9.464 2.710 4.895 1.00 0.00 C ATOM 375 C GLU A 24 -8.739 1.553 5.579 1.00 0.00 C ATOM 376 O GLU A 24 -9.340 0.792 6.342 1.00 0.00 O ATOM 377 CB GLU A 24 -9.750 3.806 5.922 1.00 0.00 C ATOM 378 CG GLU A 24 -10.687 4.887 5.422 1.00 0.00 C ATOM 379 CD GLU A 24 -11.027 5.890 6.497 1.00 0.00 C ATOM 380 OE1 GLU A 24 -11.440 5.464 7.592 1.00 0.00 O ATOM 381 OE2 GLU A 24 -10.897 7.103 6.246 1.00 0.00 O ATOM 0 H GLU A 24 -11.508 2.239 4.914 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.823 3.102 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.180 3.351 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.808 4.265 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.227 5.403 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.604 4.428 5.053 1.00 0.00 H new ATOM 388 N TYR A 25 -7.442 1.429 5.311 1.00 0.00 N ATOM 389 CA TYR A 25 -6.637 0.367 5.915 1.00 0.00 C ATOM 390 C TYR A 25 -5.539 0.946 6.790 1.00 0.00 C ATOM 391 O TYR A 25 -4.815 1.853 6.379 1.00 0.00 O ATOM 392 CB TYR A 25 -6.000 -0.530 4.854 1.00 0.00 C ATOM 393 CG TYR A 25 -6.988 -1.259 3.975 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.677 -0.580 2.986 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.226 -2.617 4.132 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.581 -1.229 2.169 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.131 -3.275 3.317 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.802 -2.575 2.339 1.00 0.00 C ATOM 399 OH TYR A 25 -9.703 -3.222 1.530 1.00 0.00 O ATOM 0 H TYR A 25 -6.927 2.046 4.683 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.314 -0.231 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.352 0.079 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.364 -1.263 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.504 0.477 2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.699 -3.167 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.111 -0.683 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.310 -4.332 3.447 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.743 -4.169 1.777 1.00 0.00 H new ATOM 409 N ASN A 26 -5.405 0.406 7.989 1.00 0.00 N ATOM 410 CA ASN A 26 -4.377 0.862 8.915 1.00 0.00 C ATOM 411 C ASN A 26 -3.201 -0.102 8.919 1.00 0.00 C ATOM 412 O ASN A 26 -2.327 -0.033 9.784 1.00 0.00 O ATOM 413 CB ASN A 26 -4.945 1.001 10.324 1.00 0.00 C ATOM 414 CG ASN A 26 -5.826 2.221 10.476 1.00 0.00 C ATOM 415 OD1 ASN A 26 -5.339 3.351 10.522 1.00 0.00 O ATOM 416 ND2 ASN A 26 -7.130 2.002 10.533 1.00 0.00 N ATOM 0 H ASN A 26 -5.993 -0.347 8.346 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.029 1.840 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.520 0.109 10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.124 1.058 11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.776 2.787 10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.489 1.048 10.491 1.00 0.00 H new ATOM 423 N SER A 27 -3.186 -0.995 7.940 1.00 0.00 N ATOM 424 CA SER A 27 -2.127 -1.977 7.801 1.00 0.00 C ATOM 425 C SER A 27 -2.008 -2.393 6.343 1.00 0.00 C ATOM 426 O SER A 27 -2.893 -2.099 5.534 1.00 0.00 O ATOM 427 CB SER A 27 -2.407 -3.205 8.682 1.00 0.00 C ATOM 428 OG SER A 27 -3.650 -3.802 8.347 1.00 0.00 O ATOM 0 H SER A 27 -3.908 -1.057 7.222 1.00 0.00 H new ATOM 0 HA SER A 27 -1.187 -1.531 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.606 -3.934 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.413 -2.910 9.731 1.00 0.00 H new ATOM 0 HG SER A 27 -3.804 -4.582 8.920 1.00 0.00 H new ATOM 434 N CYS A 28 -0.925 -3.076 6.009 1.00 0.00 N ATOM 435 CA CYS A 28 -0.712 -3.539 4.645 1.00 0.00 C ATOM 436 C CYS A 28 -1.727 -4.627 4.305 1.00 0.00 C ATOM 437 O CYS A 28 -1.928 -5.562 5.081 1.00 0.00 O ATOM 438 CB CYS A 28 0.710 -4.077 4.483 1.00 0.00 C ATOM 439 SG CYS A 28 2.008 -2.927 5.049 1.00 0.00 S ATOM 0 H CYS A 28 -0.180 -3.322 6.661 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.845 -2.700 3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.799 -5.011 5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.881 -4.313 3.433 1.00 0.00 H new ATOM 444 N THR A 29 -2.376 -4.500 3.155 1.00 0.00 N ATOM 445 CA THR A 29 -3.374 -5.472 2.741 1.00 0.00 C ATOM 446 C THR A 29 -2.971 -6.131 1.427 1.00 0.00 C ATOM 447 O THR A 29 -2.162 -5.585 0.682 1.00 0.00 O ATOM 448 CB THR A 29 -4.751 -4.796 2.606 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.757 -5.752 2.313 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.819 -3.727 1.529 1.00 0.00 C ATOM 0 H THR A 29 -2.229 -3.736 2.496 1.00 0.00 H new ATOM 0 HA THR A 29 -3.439 -6.247 3.504 1.00 0.00 H new ATOM 0 HB THR A 29 -4.915 -4.318 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.553 -5.565 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.822 -3.302 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.098 -2.940 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.585 -4.170 0.561 1.00 0.00 H new ATOM 458 N ASP A 30 -3.554 -7.291 1.135 1.00 0.00 N ATOM 459 CA ASP A 30 -3.265 -7.989 -0.110 1.00 0.00 C ATOM 460 C ASP A 30 -4.449 -7.847 -1.046 1.00 0.00 C ATOM 461 O ASP A 30 -4.524 -8.498 -2.086 1.00 0.00 O ATOM 462 CB ASP A 30 -2.957 -9.467 0.102 1.00 0.00 C ATOM 463 CG ASP A 30 -2.683 -9.844 1.540 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.642 -9.907 2.334 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.509 -10.080 1.880 1.00 0.00 O ATOM 0 H ASP A 30 -4.225 -7.763 1.741 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.373 -7.534 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.798 -10.057 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.092 -9.737 -0.504 1.00 0.00 H new ATOM 470 N THR A 31 -5.380 -6.986 -0.657 1.00 0.00 N ATOM 471 CA THR A 31 -6.578 -6.738 -1.443 1.00 0.00 C ATOM 472 C THR A 31 -6.194 -6.161 -2.800 1.00 0.00 C ATOM 473 O THR A 31 -5.335 -5.286 -2.892 1.00 0.00 O ATOM 474 CB THR A 31 -7.502 -5.783 -0.689 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.799 -6.292 0.603 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.813 -5.516 -1.399 1.00 0.00 C ATOM 0 H THR A 31 -5.326 -6.444 0.206 1.00 0.00 H new ATOM 0 HA THR A 31 -7.109 -7.676 -1.605 1.00 0.00 H new ATOM 0 HB THR A 31 -6.954 -4.842 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.014 -6.194 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.416 -4.830 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.615 -5.072 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.353 -6.454 -1.530 1.00 0.00 H new ATOM 484 N GLY A 32 -6.807 -6.677 -3.856 1.00 0.00 N ATOM 485 CA GLY A 32 -6.486 -6.218 -5.189 1.00 0.00 C ATOM 486 C GLY A 32 -5.313 -6.988 -5.766 1.00 0.00 C ATOM 487 O GLY A 32 -5.100 -7.013 -6.977 1.00 0.00 O ATOM 0 H GLY A 32 -7.520 -7.405 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.355 -6.335 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.249 -5.154 -5.163 1.00 0.00 H new ATOM 491 N ARG A 33 -4.556 -7.626 -4.882 1.00 0.00 N ATOM 492 CA ARG A 33 -3.408 -8.416 -5.276 1.00 0.00 C ATOM 493 C ARG A 33 -3.785 -9.886 -5.295 1.00 0.00 C ATOM 494 O ARG A 33 -4.124 -10.458 -4.260 1.00 0.00 O ATOM 495 CB ARG A 33 -2.244 -8.200 -4.308 1.00 0.00 C ATOM 496 CG ARG A 33 -1.761 -6.760 -4.218 1.00 0.00 C ATOM 497 CD ARG A 33 -1.244 -6.230 -5.547 1.00 0.00 C ATOM 498 NE ARG A 33 -0.127 -7.018 -6.080 1.00 0.00 N ATOM 499 CZ ARG A 33 0.747 -6.547 -6.969 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.694 -5.277 -7.336 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.685 -7.340 -7.466 1.00 0.00 N ATOM 0 H ARG A 33 -4.724 -7.607 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.096 -8.102 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.547 -8.532 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.410 -8.832 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.579 -6.128 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.969 -6.693 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.058 -6.226 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.925 -5.196 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.013 -7.977 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.015 -4.660 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.362 -4.914 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.740 -8.314 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.352 -6.976 -8.146 1.00 0.00 H new ATOM 515 N SER A 34 -3.724 -10.494 -6.461 1.00 0.00 N ATOM 516 CA SER A 34 -4.062 -11.901 -6.592 1.00 0.00 C ATOM 517 C SER A 34 -2.903 -12.768 -6.125 1.00 0.00 C ATOM 518 O SER A 34 -3.040 -13.983 -5.970 1.00 0.00 O ATOM 519 CB SER A 34 -4.419 -12.217 -8.044 1.00 0.00 C ATOM 520 OG SER A 34 -5.385 -11.299 -8.540 1.00 0.00 O ATOM 0 H SER A 34 -3.445 -10.040 -7.331 1.00 0.00 H new ATOM 0 HA SER A 34 -4.926 -12.118 -5.964 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.521 -12.175 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.807 -13.233 -8.114 1.00 0.00 H new ATOM 0 HG SER A 34 -5.597 -11.519 -9.471 1.00 0.00 H new ATOM 526 N ASP A 35 -1.757 -12.132 -5.916 1.00 0.00 N ATOM 527 CA ASP A 35 -0.557 -12.822 -5.482 1.00 0.00 C ATOM 528 C ASP A 35 -0.501 -12.968 -3.975 1.00 0.00 C ATOM 529 O ASP A 35 0.357 -13.662 -3.439 1.00 0.00 O ATOM 530 CB ASP A 35 0.681 -12.072 -5.944 1.00 0.00 C ATOM 531 CG ASP A 35 0.394 -10.995 -6.965 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.074 -11.323 -8.071 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.612 -9.809 -6.650 1.00 0.00 O ATOM 0 H ASP A 35 -1.637 -11.127 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.585 -13.816 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.165 -11.620 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.389 -12.784 -6.369 1.00 0.00 H new ATOM 538 N GLY A 36 -1.412 -12.297 -3.309 1.00 0.00 N ATOM 539 CA GLY A 36 -1.451 -12.335 -1.865 1.00 0.00 C ATOM 540 C GLY A 36 -0.307 -11.549 -1.253 1.00 0.00 C ATOM 541 O GLY A 36 0.275 -11.962 -0.247 1.00 0.00 O ATOM 0 H GLY A 36 -2.134 -11.720 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.400 -11.928 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.404 -13.370 -1.527 1.00 0.00 H new ATOM 545 N PHE A 37 0.024 -10.418 -1.868 1.00 0.00 N ATOM 546 CA PHE A 37 1.109 -9.572 -1.389 1.00 0.00 C ATOM 547 C PHE A 37 0.570 -8.354 -0.646 1.00 0.00 C ATOM 548 O PHE A 37 -0.330 -7.667 -1.134 1.00 0.00 O ATOM 549 CB PHE A 37 1.982 -9.116 -2.559 1.00 0.00 C ATOM 550 CG PHE A 37 2.894 -10.181 -3.114 1.00 0.00 C ATOM 551 CD1 PHE A 37 2.988 -11.429 -2.515 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.671 -9.923 -4.232 1.00 0.00 C ATOM 553 CE1 PHE A 37 3.836 -12.398 -3.023 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.521 -10.885 -4.744 1.00 0.00 C ATOM 555 CZ PHE A 37 4.603 -12.124 -4.138 1.00 0.00 C ATOM 0 H PHE A 37 -0.446 -10.066 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 37 1.711 -10.161 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.335 -8.757 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.588 -8.270 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.392 -11.647 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.612 -8.956 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.898 -13.366 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.120 -10.669 -5.616 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.266 -12.878 -4.536 1.00 0.00 H new ATOM 565 N LEU A 38 1.128 -8.085 0.528 1.00 0.00 N ATOM 566 CA LEU A 38 0.710 -6.952 1.333 1.00 0.00 C ATOM 567 C LEU A 38 1.329 -5.654 0.818 1.00 0.00 C ATOM 568 O LEU A 38 2.544 -5.558 0.629 1.00 0.00 O ATOM 569 CB LEU A 38 1.069 -7.184 2.808 1.00 0.00 C ATOM 570 CG LEU A 38 2.185 -8.203 3.081 1.00 0.00 C ATOM 571 CD1 LEU A 38 3.543 -7.653 2.680 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.187 -8.603 4.547 1.00 0.00 C ATOM 0 H LEU A 38 1.875 -8.642 0.943 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.373 -6.856 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.363 -6.229 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.171 -7.511 3.332 1.00 0.00 H new ATOM 0 HG LEU A 38 1.989 -9.087 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.312 -8.397 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.541 -7.418 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.752 -6.748 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.983 -9.326 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.353 -7.720 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.227 -9.050 4.803 1.00 0.00 H new ATOM 584 N TRP A 39 0.484 -4.662 0.590 1.00 0.00 N ATOM 585 CA TRP A 39 0.930 -3.370 0.093 1.00 0.00 C ATOM 586 C TRP A 39 0.240 -2.243 0.853 1.00 0.00 C ATOM 587 O TRP A 39 -0.636 -2.487 1.683 1.00 0.00 O ATOM 588 CB TRP A 39 0.646 -3.251 -1.411 1.00 0.00 C ATOM 589 CG TRP A 39 -0.815 -3.299 -1.753 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.572 -4.417 -1.918 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.699 -2.188 -1.958 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.863 -4.073 -2.216 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.964 -2.716 -2.248 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.547 -0.802 -1.925 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.060 -1.911 -2.510 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.639 -0.007 -2.185 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.883 -0.566 -2.471 1.00 0.00 C ATOM 0 H TRP A 39 -0.522 -4.728 0.743 1.00 0.00 H new ATOM 0 HA TRP A 39 2.005 -3.289 0.252 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.066 -2.315 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.160 -4.058 -1.934 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.207 -5.429 -1.827 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.626 -4.728 -2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.588 -0.360 -1.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.025 -2.340 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.531 1.067 -2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.723 0.084 -2.666 1.00 0.00 H new ATOM 608 N CYS A 40 0.639 -1.013 0.572 1.00 0.00 N ATOM 609 CA CYS A 40 0.067 0.154 1.225 1.00 0.00 C ATOM 610 C CYS A 40 0.165 1.350 0.291 1.00 0.00 C ATOM 611 O CYS A 40 0.894 1.301 -0.696 1.00 0.00 O ATOM 612 CB CYS A 40 0.843 0.450 2.502 1.00 0.00 C ATOM 613 SG CYS A 40 2.530 1.074 2.197 1.00 0.00 S ATOM 0 H CYS A 40 1.364 -0.796 -0.111 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.978 -0.039 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.293 1.184 3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.903 -0.459 3.101 1.00 0.00 H new ATOM 618 N SER A 41 -0.537 2.426 0.610 1.00 0.00 N ATOM 619 CA SER A 41 -0.475 3.628 -0.209 1.00 0.00 C ATOM 620 C SER A 41 0.148 4.757 0.601 1.00 0.00 C ATOM 621 O SER A 41 0.224 4.682 1.831 1.00 0.00 O ATOM 622 CB SER A 41 -1.864 4.025 -0.717 1.00 0.00 C ATOM 623 OG SER A 41 -1.778 5.033 -1.711 1.00 0.00 O ATOM 0 H SER A 41 -1.151 2.493 1.422 1.00 0.00 H new ATOM 0 HA SER A 41 0.144 3.427 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.368 3.150 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.470 4.382 0.115 1.00 0.00 H new ATOM 0 HG SER A 41 -1.105 4.779 -2.377 1.00 0.00 H new ATOM 629 N THR A 42 0.601 5.787 -0.087 1.00 0.00 N ATOM 630 CA THR A 42 1.231 6.919 0.573 1.00 0.00 C ATOM 631 C THR A 42 0.413 8.194 0.374 1.00 0.00 C ATOM 632 O THR A 42 0.663 9.217 1.015 1.00 0.00 O ATOM 633 CB THR A 42 2.653 7.105 0.037 1.00 0.00 C ATOM 634 OG1 THR A 42 3.336 5.863 0.005 1.00 0.00 O ATOM 635 CG2 THR A 42 3.492 8.060 0.862 1.00 0.00 C ATOM 0 H THR A 42 0.546 5.865 -1.102 1.00 0.00 H new ATOM 0 HA THR A 42 1.277 6.716 1.643 1.00 0.00 H new ATOM 0 HB THR A 42 2.531 7.526 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.754 5.697 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.486 8.143 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.019 9.042 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.575 7.683 1.881 1.00 0.00 H new ATOM 643 N THR A 43 -0.563 8.132 -0.514 1.00 0.00 N ATOM 644 CA THR A 43 -1.404 9.279 -0.794 1.00 0.00 C ATOM 645 C THR A 43 -2.763 9.122 -0.124 1.00 0.00 C ATOM 646 O THR A 43 -2.929 8.282 0.765 1.00 0.00 O ATOM 647 CB THR A 43 -1.554 9.439 -2.304 1.00 0.00 C ATOM 648 OG1 THR A 43 -2.162 8.292 -2.869 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.232 9.643 -3.009 1.00 0.00 C ATOM 0 H THR A 43 -0.792 7.297 -1.054 1.00 0.00 H new ATOM 0 HA THR A 43 -0.937 10.177 -0.388 1.00 0.00 H new ATOM 0 HB THR A 43 -2.172 10.326 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.503 7.802 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.404 9.750 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.249 10.543 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.413 8.783 -2.829 1.00 0.00 H new ATOM 657 N TYR A 44 -3.730 9.924 -0.557 1.00 0.00 N ATOM 658 CA TYR A 44 -5.074 9.871 -0.001 1.00 0.00 C ATOM 659 C TYR A 44 -5.892 8.786 -0.697 1.00 0.00 C ATOM 660 O TYR A 44 -6.217 7.759 -0.094 1.00 0.00 O ATOM 661 CB TYR A 44 -5.762 11.239 -0.130 1.00 0.00 C ATOM 662 CG TYR A 44 -7.119 11.335 0.561 1.00 0.00 C ATOM 663 CD1 TYR A 44 -8.263 10.768 0.004 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.253 11.994 1.782 1.00 0.00 C ATOM 665 CE1 TYR A 44 -9.490 10.860 0.635 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.478 12.085 2.416 1.00 0.00 C ATOM 667 CZ TYR A 44 -9.590 11.517 1.839 1.00 0.00 C ATOM 668 OH TYR A 44 -10.810 11.608 2.465 1.00 0.00 O ATOM 0 H TYR A 44 -3.606 10.619 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.005 9.623 1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.103 12.003 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.891 11.468 -1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.190 10.246 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.384 12.442 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.366 10.418 0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.562 12.600 3.361 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.710 12.102 3.306 1.00 0.00 H new ATOM 678 N ASN A 45 -6.219 9.010 -1.966 1.00 0.00 N ATOM 679 CA ASN A 45 -6.996 8.045 -2.736 1.00 0.00 C ATOM 680 C ASN A 45 -6.067 7.261 -3.661 1.00 0.00 C ATOM 681 O ASN A 45 -5.524 7.810 -4.615 1.00 0.00 O ATOM 682 CB ASN A 45 -8.079 8.772 -3.552 1.00 0.00 C ATOM 683 CG ASN A 45 -9.122 7.882 -4.168 1.00 0.00 C ATOM 684 OD1 ASN A 45 -10.172 8.361 -4.593 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.863 6.604 -4.280 1.00 0.00 N ATOM 0 H ASN A 45 -5.958 9.850 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.486 7.349 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.577 9.493 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.593 9.339 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.538 5.984 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.986 6.228 -3.920 1.00 0.00 H new ATOM 692 N PHE A 46 -5.880 5.981 -3.361 1.00 0.00 N ATOM 693 CA PHE A 46 -5.000 5.116 -4.151 1.00 0.00 C ATOM 694 C PHE A 46 -5.448 4.989 -5.610 1.00 0.00 C ATOM 695 O PHE A 46 -4.619 4.850 -6.506 1.00 0.00 O ATOM 696 CB PHE A 46 -4.916 3.727 -3.508 1.00 0.00 C ATOM 697 CG PHE A 46 -4.218 2.708 -4.382 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.830 2.681 -4.474 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.946 1.793 -5.130 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.196 1.760 -5.283 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.310 0.871 -5.941 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.934 0.856 -6.018 1.00 0.00 C ATOM 0 H PHE A 46 -6.327 5.513 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.016 5.584 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.387 3.805 -2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.923 3.376 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.243 3.388 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.025 1.801 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.118 1.747 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.891 0.163 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.435 0.138 -6.652 1.00 0.00 H new ATOM 712 N GLU A 47 -6.751 5.013 -5.845 1.00 0.00 N ATOM 713 CA GLU A 47 -7.293 4.874 -7.194 1.00 0.00 C ATOM 714 C GLU A 47 -6.754 5.935 -8.153 1.00 0.00 C ATOM 715 O GLU A 47 -6.325 5.617 -9.263 1.00 0.00 O ATOM 716 CB GLU A 47 -8.818 4.956 -7.161 1.00 0.00 C ATOM 717 CG GLU A 47 -9.470 4.529 -8.465 1.00 0.00 C ATOM 718 CD GLU A 47 -10.974 4.605 -8.421 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.521 5.008 -7.377 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.609 4.271 -9.435 1.00 0.00 O ATOM 0 H GLU A 47 -7.457 5.128 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.975 3.898 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.192 4.327 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.115 5.979 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.103 5.162 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.170 3.508 -8.698 1.00 0.00 H new ATOM 727 N LYS A 48 -6.814 7.193 -7.739 1.00 0.00 N ATOM 728 CA LYS A 48 -6.368 8.293 -8.587 1.00 0.00 C ATOM 729 C LYS A 48 -4.848 8.420 -8.652 1.00 0.00 C ATOM 730 O LYS A 48 -4.293 8.660 -9.722 1.00 0.00 O ATOM 731 CB LYS A 48 -6.980 9.619 -8.126 1.00 0.00 C ATOM 732 CG LYS A 48 -6.668 9.977 -6.681 1.00 0.00 C ATOM 733 CD LYS A 48 -7.092 11.398 -6.343 1.00 0.00 C ATOM 734 CE LYS A 48 -6.255 12.431 -7.087 1.00 0.00 C ATOM 735 NZ LYS A 48 -6.574 13.817 -6.649 1.00 0.00 N ATOM 0 H LYS A 48 -7.166 7.478 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.716 8.059 -9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.619 10.418 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.062 9.571 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.177 9.279 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.599 9.865 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.144 11.533 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.998 11.559 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.197 12.231 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.431 12.338 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.985 14.492 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.578 14.016 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.382 13.912 -5.631 1.00 0.00 H new ATOM 749 N ASP A 49 -4.178 8.298 -7.512 1.00 0.00 N ATOM 750 CA ASP A 49 -2.727 8.441 -7.472 1.00 0.00 C ATOM 751 C ASP A 49 -2.025 7.201 -7.994 1.00 0.00 C ATOM 752 O ASP A 49 -1.188 7.280 -8.888 1.00 0.00 O ATOM 753 CB ASP A 49 -2.264 8.740 -6.048 1.00 0.00 C ATOM 754 CG ASP A 49 -2.740 10.088 -5.565 1.00 0.00 C ATOM 755 OD1 ASP A 49 -2.268 11.113 -6.095 1.00 0.00 O ATOM 756 OD2 ASP A 49 -3.590 10.123 -4.659 1.00 0.00 O ATOM 0 H ASP A 49 -4.612 8.102 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.462 9.275 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.634 7.964 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.175 8.705 -6.007 1.00 0.00 H new ATOM 761 N GLY A 50 -2.369 6.059 -7.436 1.00 0.00 N ATOM 762 CA GLY A 50 -1.760 4.822 -7.866 1.00 0.00 C ATOM 763 C GLY A 50 -0.422 4.563 -7.211 1.00 0.00 C ATOM 764 O GLY A 50 0.305 3.661 -7.625 1.00 0.00 O ATOM 0 H GLY A 50 -3.060 5.963 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.434 3.995 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.630 4.844 -8.948 1.00 0.00 H new ATOM 768 N LYS A 51 -0.085 5.340 -6.187 1.00 0.00 N ATOM 769 CA LYS A 51 1.185 5.159 -5.493 1.00 0.00 C ATOM 770 C LYS A 51 1.059 4.092 -4.424 1.00 0.00 C ATOM 771 O LYS A 51 0.187 4.164 -3.552 1.00 0.00 O ATOM 772 CB LYS A 51 1.657 6.466 -4.876 1.00 0.00 C ATOM 773 CG LYS A 51 1.707 7.608 -5.867 1.00 0.00 C ATOM 774 CD LYS A 51 2.792 7.442 -6.926 1.00 0.00 C ATOM 775 CE LYS A 51 4.184 7.381 -6.318 1.00 0.00 C ATOM 776 NZ LYS A 51 5.239 7.282 -7.364 1.00 0.00 N ATOM 0 H LYS A 51 -0.667 6.094 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 51 1.926 4.837 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.992 6.734 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.649 6.321 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.739 7.695 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.875 8.540 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.606 6.531 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.741 8.273 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.355 8.270 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.252 6.522 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.769 6.396 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.797 7.292 -8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.890 8.089 -7.278 1.00 0.00 H new ATOM 790 N TYR A 52 1.916 3.095 -4.507 1.00 0.00 N ATOM 791 CA TYR A 52 1.894 1.997 -3.569 1.00 0.00 C ATOM 792 C TYR A 52 3.243 1.309 -3.514 1.00 0.00 C ATOM 793 O TYR A 52 4.142 1.589 -4.309 1.00 0.00 O ATOM 794 CB TYR A 52 0.833 0.980 -4.008 1.00 0.00 C ATOM 795 CG TYR A 52 1.222 0.207 -5.256 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.998 -0.943 -5.169 1.00 0.00 C ATOM 797 CD2 TYR A 52 0.837 0.640 -6.520 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.375 -1.640 -6.298 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.208 -0.055 -7.654 1.00 0.00 C ATOM 800 CZ TYR A 52 1.976 -1.193 -7.537 1.00 0.00 C ATOM 801 OH TYR A 52 2.351 -1.885 -8.664 1.00 0.00 O ATOM 0 H TYR A 52 2.641 3.025 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 52 1.659 2.390 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.655 0.277 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.107 1.501 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.312 -1.298 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.238 1.534 -6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.979 -2.531 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.898 0.292 -8.629 1.00 0.00 H new ATOM 0 HH TYR A 52 1.987 -1.440 -9.458 1.00 0.00 H new ATOM 811 N GLY A 53 3.349 0.374 -2.596 1.00 0.00 N ATOM 812 CA GLY A 53 4.540 -0.404 -2.445 1.00 0.00 C ATOM 813 C GLY A 53 4.301 -1.527 -1.473 1.00 0.00 C ATOM 814 O GLY A 53 3.326 -1.489 -0.719 1.00 0.00 O ATOM 0 H GLY A 53 2.607 0.138 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.846 -0.807 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.354 0.228 -2.090 1.00 0.00 H new ATOM 818 N PHE A 54 5.157 -2.531 -1.488 1.00 0.00 N ATOM 819 CA PHE A 54 4.991 -3.664 -0.592 1.00 0.00 C ATOM 820 C PHE A 54 5.686 -3.372 0.726 1.00 0.00 C ATOM 821 O PHE A 54 6.796 -2.844 0.742 1.00 0.00 O ATOM 822 CB PHE A 54 5.522 -4.941 -1.242 1.00 0.00 C ATOM 823 CG PHE A 54 4.884 -5.219 -2.577 1.00 0.00 C ATOM 824 CD1 PHE A 54 5.354 -4.611 -3.731 1.00 0.00 C ATOM 825 CD2 PHE A 54 3.793 -6.064 -2.673 1.00 0.00 C ATOM 826 CE1 PHE A 54 4.752 -4.845 -4.954 1.00 0.00 C ATOM 827 CE2 PHE A 54 3.187 -6.305 -3.890 1.00 0.00 C ATOM 828 CZ PHE A 54 3.666 -5.695 -5.034 1.00 0.00 C ATOM 0 H PHE A 54 5.968 -2.588 -2.104 1.00 0.00 H new ATOM 0 HA PHE A 54 3.931 -3.821 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.601 -4.858 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.344 -5.785 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.202 -3.945 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.410 -6.542 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.130 -4.364 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.338 -6.970 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.193 -5.882 -5.987 1.00 0.00 H new ATOM 838 N CYS A 55 5.019 -3.670 1.829 1.00 0.00 N ATOM 839 CA CYS A 55 5.571 -3.382 3.149 1.00 0.00 C ATOM 840 C CYS A 55 5.658 -4.616 4.047 1.00 0.00 C ATOM 841 O CYS A 55 4.878 -4.770 4.989 1.00 0.00 O ATOM 842 CB CYS A 55 4.717 -2.304 3.813 1.00 0.00 C ATOM 843 SG CYS A 55 2.953 -2.375 3.344 1.00 0.00 S ATOM 0 H CYS A 55 4.098 -4.109 1.840 1.00 0.00 H new ATOM 0 HA CYS A 55 6.595 -3.035 3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.801 -2.402 4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.115 -1.324 3.550 1.00 0.00 H new ATOM 848 N PRO A 56 6.624 -5.511 3.779 1.00 0.00 N ATOM 849 CA PRO A 56 6.828 -6.714 4.570 1.00 0.00 C ATOM 850 C PRO A 56 7.843 -6.484 5.683 1.00 0.00 C ATOM 851 O PRO A 56 8.477 -5.426 5.748 1.00 0.00 O ATOM 852 CB PRO A 56 7.375 -7.691 3.534 1.00 0.00 C ATOM 853 CG PRO A 56 8.150 -6.839 2.572 1.00 0.00 C ATOM 854 CD PRO A 56 7.615 -5.424 2.691 1.00 0.00 C ATOM 0 HA PRO A 56 5.925 -7.059 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.013 -8.443 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.569 -8.224 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.215 -6.868 2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.036 -7.209 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.408 -4.715 2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.158 -5.090 1.760 1.00 0.00 H new ATOM 862 N HIS A 57 8.015 -7.471 6.549 1.00 0.00 N ATOM 863 CA HIS A 57 8.976 -7.356 7.633 1.00 0.00 C ATOM 864 C HIS A 57 10.370 -7.625 7.088 1.00 0.00 C ATOM 865 O HIS A 57 11.257 -6.776 7.166 1.00 0.00 O ATOM 866 CB HIS A 57 8.634 -8.333 8.767 1.00 0.00 C ATOM 867 CG HIS A 57 9.505 -8.186 9.980 1.00 0.00 C ATOM 868 ND1 HIS A 57 10.839 -8.544 10.000 1.00 0.00 N ATOM 869 CD2 HIS A 57 9.232 -7.694 11.211 1.00 0.00 C ATOM 870 CE1 HIS A 57 11.344 -8.282 11.191 1.00 0.00 C ATOM 871 NE2 HIS A 57 10.392 -7.764 11.943 1.00 0.00 N ATOM 0 H HIS A 57 7.505 -8.354 6.522 1.00 0.00 H new ATOM 0 HA HIS A 57 8.939 -6.348 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.594 -8.186 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.719 -9.353 8.392 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.280 -7.317 11.554 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.364 -8.461 11.498 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.500 -7.464 12.912 1.00 0.00 H new ATOM 879 N GLU A 58 10.545 -8.809 6.517 1.00 0.00 N ATOM 880 CA GLU A 58 11.809 -9.203 5.937 1.00 0.00 C ATOM 881 C GLU A 58 11.585 -10.014 4.665 1.00 0.00 C ATOM 882 O GLU A 58 10.667 -10.840 4.593 1.00 0.00 O ATOM 883 CB GLU A 58 12.627 -9.993 6.955 1.00 0.00 C ATOM 884 CG GLU A 58 11.841 -11.045 7.720 1.00 0.00 C ATOM 885 CD GLU A 58 12.652 -11.669 8.829 1.00 0.00 C ATOM 886 OE1 GLU A 58 13.098 -10.926 9.725 1.00 0.00 O ATOM 887 OE2 GLU A 58 12.854 -12.895 8.798 1.00 0.00 O ATOM 0 H GLU A 58 9.814 -9.517 6.446 1.00 0.00 H new ATOM 0 HA GLU A 58 12.369 -8.307 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.453 -10.481 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.065 -9.296 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.943 -10.591 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.512 -11.823 7.031 1.00 0.00 H new ATOM 894 N ALA A 59 12.413 -9.767 3.659 1.00 0.00 N ATOM 895 CA ALA A 59 12.294 -10.467 2.387 1.00 0.00 C ATOM 896 C ALA A 59 13.365 -11.537 2.244 1.00 0.00 C ATOM 897 O ALA A 59 14.482 -11.201 1.808 1.00 0.00 O ATOM 898 CB ALA A 59 12.373 -9.488 1.227 1.00 0.00 C ATOM 0 H ALA A 59 13.173 -9.088 3.699 1.00 0.00 H new ATOM 0 HA ALA A 59 11.320 -10.956 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.282 -10.031 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.563 -8.763 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.330 -8.968 1.255 1.00 0.00 H new TER 904 ALA A 59