USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 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 50 THR OG1 : rot 180:sc= -1.12 USER MOD Set 1.2: A 52 THR OG1 : rot 73:sc= 0.306 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.61 USER MOD Set 2.2: A 54 THR OG1 : rot 116:sc= -0.0915 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -1.08 F(o=-4.6,f=-0.77) USER MOD Set 3.2: A 56 THR OG1 : rot 170:sc= 0.304 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.259 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.174) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= -0.0224 (180deg=-0.0906) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0302 X(o=0.03,f=-0.13) USER MOD Single : A 38 ASN : amide:sc= 0.0156 X(o=0.016,f=-0.09) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.538 -12.216 6.277 1.00 0.00 N ATOM 21 CA THR A 2 -2.789 -11.277 5.144 1.00 0.00 C ATOM 22 C THR A 2 -1.909 -10.030 5.279 1.00 0.00 C ATOM 23 O THR A 2 -2.395 -8.914 5.270 1.00 0.00 O ATOM 24 CB THR A 2 -4.269 -10.906 5.257 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.056 -12.088 5.217 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.658 -9.991 4.095 1.00 0.00 C ATOM 0 HA THR A 2 -2.553 -11.725 4.179 1.00 0.00 H new ATOM 0 HB THR A 2 -4.443 -10.386 6.199 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.542 -12.836 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.713 -9.727 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.054 -9.084 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.485 -10.508 3.151 1.00 0.00 H new ATOM 34 N THR A 3 -0.618 -10.213 5.397 1.00 0.00 N ATOM 35 CA THR A 3 0.299 -9.041 5.526 1.00 0.00 C ATOM 36 C THR A 3 0.642 -8.490 4.141 1.00 0.00 C ATOM 37 O THR A 3 1.433 -9.063 3.415 1.00 0.00 O ATOM 38 CB THR A 3 1.552 -9.587 6.214 1.00 0.00 C ATOM 39 OG1 THR A 3 1.191 -10.171 7.458 1.00 0.00 O ATOM 40 CG2 THR A 3 2.550 -8.449 6.453 1.00 0.00 C ATOM 0 H THR A 3 -0.160 -11.124 5.410 1.00 0.00 H new ATOM 0 HA THR A 3 -0.149 -8.225 6.093 1.00 0.00 H new ATOM 0 HB THR A 3 2.014 -10.341 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.992 -10.523 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.440 -8.843 6.943 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.829 -8.003 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.092 -7.691 7.088 1.00 0.00 H new ATOM 48 N PHE A 4 0.051 -7.381 3.772 1.00 0.00 N ATOM 49 CA PHE A 4 0.336 -6.786 2.433 1.00 0.00 C ATOM 50 C PHE A 4 1.532 -5.836 2.526 1.00 0.00 C ATOM 51 O PHE A 4 1.790 -5.252 3.562 1.00 0.00 O ATOM 52 CB PHE A 4 -0.934 -6.021 2.057 1.00 0.00 C ATOM 53 CG PHE A 4 -1.926 -6.970 1.429 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.703 -7.457 0.136 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.066 -7.365 2.138 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.619 -8.339 -0.448 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.981 -8.248 1.554 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.758 -8.735 0.261 1.00 0.00 C ATOM 0 H PHE A 4 -0.617 -6.862 4.342 1.00 0.00 H new ATOM 0 HA PHE A 4 0.587 -7.542 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.368 -5.558 2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.694 -5.216 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.823 -7.152 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.239 -6.989 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.447 -8.714 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.860 -8.554 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.465 -9.416 -0.189 1.00 0.00 H new ATOM 68 N LYS A 5 2.265 -5.683 1.452 1.00 0.00 N ATOM 69 CA LYS A 5 3.450 -4.773 1.472 1.00 0.00 C ATOM 70 C LYS A 5 3.200 -3.573 0.556 1.00 0.00 C ATOM 71 O LYS A 5 2.101 -3.377 0.069 1.00 0.00 O ATOM 72 CB LYS A 5 4.614 -5.616 0.941 1.00 0.00 C ATOM 73 CG LYS A 5 4.799 -6.860 1.816 1.00 0.00 C ATOM 74 CD LYS A 5 6.149 -7.508 1.506 1.00 0.00 C ATOM 75 CE LYS A 5 6.046 -9.020 1.711 1.00 0.00 C ATOM 76 NZ LYS A 5 7.452 -9.509 1.677 1.00 0.00 N ATOM 0 H LYS A 5 2.094 -6.150 0.561 1.00 0.00 H new ATOM 0 HA LYS A 5 3.655 -4.383 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.420 -5.912 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.530 -5.025 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.749 -6.587 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.993 -7.570 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.443 -7.288 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.921 -7.094 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.568 -9.258 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.447 -9.485 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.464 -10.540 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.879 -9.274 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.996 -9.055 2.438 1.00 0.00 H new ATOM 90 N LEU A 6 4.208 -2.770 0.313 1.00 0.00 N ATOM 91 CA LEU A 6 4.022 -1.586 -0.576 1.00 0.00 C ATOM 92 C LEU A 6 5.379 -1.048 -1.031 1.00 0.00 C ATOM 93 O LEU A 6 6.036 -0.315 -0.315 1.00 0.00 O ATOM 94 CB LEU A 6 3.287 -0.557 0.290 1.00 0.00 C ATOM 95 CG LEU A 6 3.076 0.744 -0.496 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.979 0.541 -1.541 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.660 1.860 0.465 1.00 0.00 C ATOM 0 H LEU A 6 5.148 -2.885 0.692 1.00 0.00 H new ATOM 0 HA LEU A 6 3.464 -1.827 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.325 -0.959 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.862 -0.355 1.194 1.00 0.00 H new ATOM 0 HG LEU A 6 4.006 1.018 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.831 1.466 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.273 -0.253 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.049 0.264 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.510 2.784 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.731 1.583 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.442 2.009 1.210 1.00 0.00 H new ATOM 109 N ILE A 7 5.786 -1.383 -2.227 1.00 0.00 N ATOM 110 CA ILE A 7 7.084 -0.875 -2.746 1.00 0.00 C ATOM 111 C ILE A 7 6.863 0.541 -3.257 1.00 0.00 C ATOM 112 O ILE A 7 6.113 0.758 -4.193 1.00 0.00 O ATOM 113 CB ILE A 7 7.469 -1.816 -3.891 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.608 -3.243 -3.355 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.803 -1.369 -4.494 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.691 -4.224 -4.527 1.00 0.00 C ATOM 0 H ILE A 7 5.272 -1.989 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 7 7.871 -0.849 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 7 6.695 -1.788 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.501 -3.324 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.756 -3.489 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.077 -2.039 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.707 -0.353 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.577 -1.396 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.790 -5.240 -4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.785 -4.149 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.557 -3.982 -5.143 1.00 0.00 H new ATOM 128 N ILE A 8 7.485 1.509 -2.639 1.00 0.00 N ATOM 129 CA ILE A 8 7.273 2.914 -3.092 1.00 0.00 C ATOM 130 C ILE A 8 8.182 3.215 -4.287 1.00 0.00 C ATOM 131 O ILE A 8 9.371 3.430 -4.134 1.00 0.00 O ATOM 132 CB ILE A 8 7.631 3.829 -1.914 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.991 3.323 -0.601 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.130 5.246 -2.221 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.467 3.441 -0.641 1.00 0.00 C ATOM 0 H ILE A 8 8.122 1.391 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 8 6.240 3.073 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 8 8.713 3.829 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.273 2.283 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.380 3.897 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.378 5.907 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.606 5.611 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.049 5.228 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.049 3.077 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.186 4.485 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.078 2.846 -1.467 1.00 0.00 H new ATOM 147 N ASN A 9 7.633 3.229 -5.472 1.00 0.00 N ATOM 148 CA ASN A 9 8.460 3.514 -6.686 1.00 0.00 C ATOM 149 C ASN A 9 8.869 4.990 -6.714 1.00 0.00 C ATOM 150 O ASN A 9 8.345 5.801 -5.974 1.00 0.00 O ATOM 151 CB ASN A 9 7.547 3.181 -7.869 1.00 0.00 C ATOM 152 CG ASN A 9 8.270 3.452 -9.193 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.645 4.088 -10.151 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.416 3.082 -9.359 1.00 0.00 N flip ATOM 0 H ASN A 9 6.645 3.055 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 9 9.382 2.933 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.244 2.135 -7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.637 3.779 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.905 2.586 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.889 3.267 -10.244 1.00 0.00 H new ATOM 161 N GLY A 10 9.802 5.340 -7.564 1.00 0.00 N ATOM 162 CA GLY A 10 10.252 6.762 -7.647 1.00 0.00 C ATOM 163 C GLY A 10 11.349 7.011 -6.610 1.00 0.00 C ATOM 164 O GLY A 10 12.062 6.106 -6.218 1.00 0.00 O ATOM 0 H GLY A 10 10.272 4.700 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.627 6.978 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.411 7.432 -7.470 1.00 0.00 H new ATOM 168 N LYS A 11 11.483 8.232 -6.161 1.00 0.00 N ATOM 169 CA LYS A 11 12.528 8.553 -5.143 1.00 0.00 C ATOM 170 C LYS A 11 11.866 9.055 -3.856 1.00 0.00 C ATOM 171 O LYS A 11 12.373 9.933 -3.185 1.00 0.00 O ATOM 172 CB LYS A 11 13.390 9.653 -5.779 1.00 0.00 C ATOM 173 CG LYS A 11 12.521 10.869 -6.131 1.00 0.00 C ATOM 174 CD LYS A 11 12.228 10.878 -7.634 1.00 0.00 C ATOM 175 CE LYS A 11 11.117 11.888 -7.932 1.00 0.00 C ATOM 176 NZ LYS A 11 11.763 13.223 -7.796 1.00 0.00 N ATOM 0 H LYS A 11 10.912 9.024 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 11 13.127 7.683 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.181 9.949 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.876 9.271 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.588 10.836 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.032 11.788 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.129 11.138 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.927 9.883 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.713 11.746 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.287 11.778 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.293 13.761 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.768 13.100 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.680 13.742 -8.693 1.00 0.00 H new ATOM 190 N THR A 12 10.729 8.503 -3.518 1.00 0.00 N ATOM 191 CA THR A 12 10.010 8.941 -2.282 1.00 0.00 C ATOM 192 C THR A 12 10.594 8.233 -1.054 1.00 0.00 C ATOM 193 O THR A 12 11.761 7.894 -1.027 1.00 0.00 O ATOM 194 CB THR A 12 8.529 8.562 -2.495 1.00 0.00 C ATOM 195 OG1 THR A 12 8.271 8.296 -3.871 1.00 0.00 O ATOM 196 CG2 THR A 12 7.642 9.720 -2.032 1.00 0.00 C ATOM 0 H THR A 12 10.265 7.764 -4.047 1.00 0.00 H new ATOM 0 HA THR A 12 10.115 10.012 -2.107 1.00 0.00 H new ATOM 0 HB THR A 12 8.310 7.664 -1.917 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.328 8.056 -3.987 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.594 9.458 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.821 9.915 -0.975 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.878 10.613 -2.611 1.00 0.00 H new ATOM 204 N LEU A 13 9.796 8.019 -0.030 1.00 0.00 N ATOM 205 CA LEU A 13 10.302 7.343 1.211 1.00 0.00 C ATOM 206 C LEU A 13 11.080 6.052 0.862 1.00 0.00 C ATOM 207 O LEU A 13 11.960 5.634 1.586 1.00 0.00 O ATOM 208 CB LEU A 13 9.030 7.048 2.038 1.00 0.00 C ATOM 209 CG LEU A 13 8.257 5.878 1.429 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.679 4.584 2.132 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.747 6.083 1.604 1.00 0.00 C ATOM 0 H LEU A 13 8.812 8.285 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 13 11.008 7.960 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.304 6.815 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.396 7.934 2.070 1.00 0.00 H new ATOM 0 HG LEU A 13 8.480 5.819 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.133 3.743 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.749 4.428 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.455 4.659 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.212 5.241 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.510 6.150 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.445 7.004 1.106 1.00 0.00 H new ATOM 223 N LYS A 14 10.758 5.440 -0.256 1.00 0.00 N ATOM 224 CA LYS A 14 11.465 4.188 -0.690 1.00 0.00 C ATOM 225 C LYS A 14 11.442 3.118 0.408 1.00 0.00 C ATOM 226 O LYS A 14 12.181 3.191 1.373 1.00 0.00 O ATOM 227 CB LYS A 14 12.902 4.619 -0.993 1.00 0.00 C ATOM 228 CG LYS A 14 12.983 5.145 -2.429 1.00 0.00 C ATOM 229 CD LYS A 14 12.982 3.968 -3.413 1.00 0.00 C ATOM 230 CE LYS A 14 14.396 3.741 -3.954 1.00 0.00 C ATOM 231 NZ LYS A 14 14.951 2.633 -3.127 1.00 0.00 N ATOM 0 H LYS A 14 10.028 5.758 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 14 10.979 3.740 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.217 5.392 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.581 3.776 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.138 5.803 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.888 5.739 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.625 3.067 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.296 4.171 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.376 3.473 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.002 4.642 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.879 2.351 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.059 2.954 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.303 1.820 -3.157 1.00 0.00 H new ATOM 245 N GLY A 15 10.607 2.117 0.260 1.00 0.00 N ATOM 246 CA GLY A 15 10.545 1.037 1.290 1.00 0.00 C ATOM 247 C GLY A 15 9.320 0.146 1.058 1.00 0.00 C ATOM 248 O GLY A 15 8.326 0.568 0.494 1.00 0.00 O ATOM 0 H GLY A 15 9.969 2.003 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.453 0.435 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.498 1.478 2.286 1.00 0.00 H new ATOM 252 N GLU A 16 9.399 -1.089 1.487 1.00 0.00 N ATOM 253 CA GLU A 16 8.268 -2.039 1.313 1.00 0.00 C ATOM 254 C GLU A 16 7.599 -2.325 2.669 1.00 0.00 C ATOM 255 O GLU A 16 7.468 -3.462 3.079 1.00 0.00 O ATOM 256 CB GLU A 16 8.940 -3.288 0.725 1.00 0.00 C ATOM 257 CG GLU A 16 9.807 -3.997 1.778 1.00 0.00 C ATOM 258 CD GLU A 16 11.057 -4.574 1.111 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.912 -5.241 0.100 1.00 0.00 O ATOM 260 OE2 GLU A 16 12.140 -4.336 1.622 1.00 0.00 O ATOM 0 H GLU A 16 10.215 -1.481 1.958 1.00 0.00 H new ATOM 0 HA GLU A 16 7.471 -1.663 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.178 -3.974 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.557 -3.005 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.092 -3.295 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.237 -4.794 2.256 1.00 0.00 H new ATOM 267 N ILE A 17 7.180 -1.295 3.368 1.00 0.00 N ATOM 268 CA ILE A 17 6.526 -1.493 4.705 1.00 0.00 C ATOM 269 C ILE A 17 5.392 -2.529 4.610 1.00 0.00 C ATOM 270 O ILE A 17 4.523 -2.438 3.764 1.00 0.00 O ATOM 271 CB ILE A 17 5.985 -0.110 5.100 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.278 -0.202 6.459 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.001 0.401 4.035 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.480 1.103 7.230 1.00 0.00 C ATOM 0 H ILE A 17 7.263 -0.323 3.070 1.00 0.00 H new ATOM 0 HA ILE A 17 7.225 -1.877 5.448 1.00 0.00 H new ATOM 0 HB ILE A 17 6.819 0.589 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.214 -0.391 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.676 -1.040 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.625 1.382 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.512 0.479 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.167 -0.295 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.978 1.037 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.545 1.272 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.061 1.932 6.659 1.00 0.00 H new ATOM 286 N THR A 18 5.413 -3.515 5.469 1.00 0.00 N ATOM 287 CA THR A 18 4.354 -4.572 5.436 1.00 0.00 C ATOM 288 C THR A 18 3.287 -4.289 6.496 1.00 0.00 C ATOM 289 O THR A 18 3.592 -3.869 7.596 1.00 0.00 O ATOM 290 CB THR A 18 5.076 -5.889 5.757 1.00 0.00 C ATOM 291 OG1 THR A 18 5.555 -5.852 7.096 1.00 0.00 O ATOM 292 CG2 THR A 18 6.249 -6.104 4.794 1.00 0.00 C ATOM 0 H THR A 18 6.120 -3.635 6.195 1.00 0.00 H new ATOM 0 HA THR A 18 3.851 -4.607 4.470 1.00 0.00 H new ATOM 0 HB THR A 18 4.374 -6.715 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.014 -6.693 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.750 -7.041 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.877 -6.144 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.955 -5.280 4.891 1.00 0.00 H new ATOM 300 N ILE A 19 2.040 -4.527 6.173 1.00 0.00 N ATOM 301 CA ILE A 19 0.948 -4.281 7.168 1.00 0.00 C ATOM 302 C ILE A 19 -0.142 -5.353 7.047 1.00 0.00 C ATOM 303 O ILE A 19 -0.465 -5.803 5.964 1.00 0.00 O ATOM 304 CB ILE A 19 0.387 -2.893 6.831 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.173 -2.884 5.404 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.500 -1.849 6.945 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.670 -3.207 5.438 1.00 0.00 C ATOM 0 H ILE A 19 1.731 -4.880 5.267 1.00 0.00 H new ATOM 0 HA ILE A 19 1.317 -4.325 8.193 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.413 -2.655 7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.011 -1.909 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.353 -3.616 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.100 -0.864 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.892 -1.844 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.302 -2.094 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.067 -3.200 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.820 -4.192 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.190 -2.459 6.036 1.00 0.00 H new ATOM 319 N GLU A 20 -0.708 -5.759 8.156 1.00 0.00 N ATOM 320 CA GLU A 20 -1.781 -6.798 8.121 1.00 0.00 C ATOM 321 C GLU A 20 -3.133 -6.142 7.826 1.00 0.00 C ATOM 322 O GLU A 20 -3.389 -5.024 8.231 1.00 0.00 O ATOM 323 CB GLU A 20 -1.778 -7.418 9.519 1.00 0.00 C ATOM 324 CG GLU A 20 -2.705 -8.635 9.542 1.00 0.00 C ATOM 325 CD GLU A 20 -2.387 -9.496 10.766 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.285 -10.014 10.832 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.254 -9.623 11.616 1.00 0.00 O ATOM 0 H GLU A 20 -0.472 -5.414 9.086 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.612 -7.545 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.766 -7.714 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.107 -6.684 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.746 -8.312 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.578 -9.219 8.630 1.00 0.00 H new ATOM 334 N ALA A 21 -3.997 -6.830 7.122 1.00 0.00 N ATOM 335 CA ALA A 21 -5.332 -6.247 6.795 1.00 0.00 C ATOM 336 C ALA A 21 -6.317 -7.352 6.403 1.00 0.00 C ATOM 337 O ALA A 21 -5.926 -8.437 6.018 1.00 0.00 O ATOM 338 CB ALA A 21 -5.073 -5.314 5.612 1.00 0.00 C ATOM 0 H ALA A 21 -3.835 -7.770 6.760 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.772 -5.722 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.008 -4.843 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.358 -4.545 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.668 -5.887 4.778 1.00 0.00 H new ATOM 344 N VAL A 22 -7.596 -7.079 6.498 1.00 0.00 N ATOM 345 CA VAL A 22 -8.626 -8.104 6.134 1.00 0.00 C ATOM 346 C VAL A 22 -8.381 -8.629 4.710 1.00 0.00 C ATOM 347 O VAL A 22 -8.526 -9.805 4.435 1.00 0.00 O ATOM 348 CB VAL A 22 -9.973 -7.369 6.223 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.990 -6.184 5.248 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.110 -8.332 5.870 1.00 0.00 C ATOM 0 H VAL A 22 -7.973 -6.185 6.814 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.595 -8.971 6.794 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.108 -7.000 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.948 -5.669 5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.187 -5.492 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.847 -6.548 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.064 -7.808 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.969 -8.706 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.108 -9.169 6.569 1.00 0.00 H new ATOM 360 N ASP A 23 -8.006 -7.755 3.815 1.00 0.00 N ATOM 361 CA ASP A 23 -7.739 -8.169 2.406 1.00 0.00 C ATOM 362 C ASP A 23 -6.863 -7.114 1.732 1.00 0.00 C ATOM 363 O ASP A 23 -6.549 -6.098 2.324 1.00 0.00 O ATOM 364 CB ASP A 23 -9.114 -8.232 1.740 1.00 0.00 C ATOM 365 CG ASP A 23 -9.744 -9.603 1.989 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.245 -10.571 1.440 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.714 -9.662 2.727 1.00 0.00 O ATOM 0 H ASP A 23 -7.872 -6.761 4.002 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.219 -9.124 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.758 -7.447 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.019 -8.054 0.669 1.00 0.00 H new ATOM 372 N ALA A 24 -6.467 -7.339 0.505 1.00 0.00 N ATOM 373 CA ALA A 24 -5.611 -6.333 -0.193 1.00 0.00 C ATOM 374 C ALA A 24 -6.376 -5.016 -0.339 1.00 0.00 C ATOM 375 O ALA A 24 -5.794 -3.948 -0.349 1.00 0.00 O ATOM 376 CB ALA A 24 -5.299 -6.930 -1.564 1.00 0.00 C ATOM 0 H ALA A 24 -6.697 -8.170 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.697 -6.119 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.672 -6.239 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.773 -7.876 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.229 -7.101 -2.106 1.00 0.00 H new ATOM 382 N ALA A 25 -7.682 -5.087 -0.443 1.00 0.00 N ATOM 383 CA ALA A 25 -8.501 -3.843 -0.578 1.00 0.00 C ATOM 384 C ALA A 25 -8.236 -2.916 0.610 1.00 0.00 C ATOM 385 O ALA A 25 -7.985 -1.737 0.448 1.00 0.00 O ATOM 386 CB ALA A 25 -9.958 -4.312 -0.578 1.00 0.00 C ATOM 0 H ALA A 25 -8.216 -5.956 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.260 -3.287 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.618 -3.450 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.122 -4.990 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.173 -4.831 0.356 1.00 0.00 H new ATOM 392 N GLU A 26 -8.271 -3.456 1.802 1.00 0.00 N ATOM 393 CA GLU A 26 -8.002 -2.626 3.013 1.00 0.00 C ATOM 394 C GLU A 26 -6.528 -2.222 3.026 1.00 0.00 C ATOM 395 O GLU A 26 -6.186 -1.094 3.325 1.00 0.00 O ATOM 396 CB GLU A 26 -8.329 -3.530 4.204 1.00 0.00 C ATOM 397 CG GLU A 26 -8.218 -2.729 5.503 1.00 0.00 C ATOM 398 CD GLU A 26 -9.558 -2.058 5.806 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.050 -1.345 4.945 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.071 -2.268 6.892 1.00 0.00 O ATOM 0 H GLU A 26 -8.475 -4.438 1.988 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.594 -1.711 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.335 -3.935 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.645 -4.378 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.935 -3.387 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.435 -1.976 5.413 1.00 0.00 H new ATOM 407 N ALA A 27 -5.654 -3.137 2.680 1.00 0.00 N ATOM 408 CA ALA A 27 -4.191 -2.814 2.643 1.00 0.00 C ATOM 409 C ALA A 27 -3.952 -1.633 1.702 1.00 0.00 C ATOM 410 O ALA A 27 -3.225 -0.711 2.020 1.00 0.00 O ATOM 411 CB ALA A 27 -3.507 -4.070 2.098 1.00 0.00 C ATOM 0 H ALA A 27 -5.890 -4.095 2.421 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.804 -2.541 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.431 -3.904 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.711 -4.912 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.891 -4.290 1.102 1.00 0.00 H new ATOM 417 N GLU A 28 -4.581 -1.650 0.550 1.00 0.00 N ATOM 418 CA GLU A 28 -4.412 -0.521 -0.415 1.00 0.00 C ATOM 419 C GLU A 28 -4.862 0.783 0.246 1.00 0.00 C ATOM 420 O GLU A 28 -4.254 1.814 0.063 1.00 0.00 O ATOM 421 CB GLU A 28 -5.304 -0.861 -1.614 1.00 0.00 C ATOM 422 CG GLU A 28 -4.844 -0.062 -2.839 1.00 0.00 C ATOM 423 CD GLU A 28 -5.894 -0.174 -3.945 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.925 0.468 -3.822 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.651 -0.897 -4.897 1.00 0.00 O ATOM 0 H GLU A 28 -5.203 -2.396 0.239 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.375 -0.390 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.256 -1.929 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.344 -0.628 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.695 0.983 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.885 -0.440 -3.194 1.00 0.00 H new ATOM 432 N LYS A 29 -5.910 0.738 1.036 1.00 0.00 N ATOM 433 CA LYS A 29 -6.378 1.977 1.729 1.00 0.00 C ATOM 434 C LYS A 29 -5.350 2.382 2.789 1.00 0.00 C ATOM 435 O LYS A 29 -4.893 3.511 2.833 1.00 0.00 O ATOM 436 CB LYS A 29 -7.712 1.603 2.382 1.00 0.00 C ATOM 437 CG LYS A 29 -8.721 1.189 1.301 1.00 0.00 C ATOM 438 CD LYS A 29 -10.062 1.890 1.544 1.00 0.00 C ATOM 439 CE LYS A 29 -10.144 3.163 0.690 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.154 4.287 1.668 1.00 0.00 N ATOM 0 H LYS A 29 -6.458 -0.100 1.229 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.496 2.819 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.565 0.786 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.100 2.449 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.338 1.450 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.858 0.108 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.884 1.219 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.166 2.142 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.294 3.238 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.044 3.168 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.209 5.191 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.978 4.194 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.282 4.262 2.235 1.00 0.00 H new ATOM 454 N ILE A 30 -4.963 1.451 3.630 1.00 0.00 N ATOM 455 CA ILE A 30 -3.942 1.756 4.682 1.00 0.00 C ATOM 456 C ILE A 30 -2.655 2.234 4.003 1.00 0.00 C ATOM 457 O ILE A 30 -1.968 3.111 4.490 1.00 0.00 O ATOM 458 CB ILE A 30 -3.708 0.428 5.419 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.004 -0.017 6.104 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.618 0.607 6.483 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.845 -1.456 6.605 1.00 0.00 C ATOM 0 H ILE A 30 -5.311 0.492 3.633 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.263 2.537 5.371 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.394 -0.326 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.235 0.647 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.838 0.047 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.457 -0.338 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.690 0.921 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.931 1.366 7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.766 -1.775 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.634 -2.114 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.021 -1.504 7.317 1.00 0.00 H new ATOM 473 N PHE A 31 -2.344 1.662 2.869 1.00 0.00 N ATOM 474 CA PHE A 31 -1.120 2.074 2.127 1.00 0.00 C ATOM 475 C PHE A 31 -1.386 3.399 1.413 1.00 0.00 C ATOM 476 O PHE A 31 -0.525 4.253 1.322 1.00 0.00 O ATOM 477 CB PHE A 31 -0.868 0.952 1.115 1.00 0.00 C ATOM 478 CG PHE A 31 -0.074 -0.157 1.762 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.110 0.130 2.451 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.522 -1.478 1.663 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.846 -0.903 3.039 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.213 -2.513 2.255 1.00 0.00 C ATOM 483 CZ PHE A 31 1.397 -2.225 2.942 1.00 0.00 C ATOM 0 H PHE A 31 -2.889 0.924 2.424 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.259 2.221 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.817 0.564 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.327 1.343 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.455 1.150 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.435 -1.700 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.761 -0.681 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.134 -3.533 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.965 -3.023 3.398 1.00 0.00 H new ATOM 493 N LYS A 32 -2.582 3.572 0.908 1.00 0.00 N ATOM 494 CA LYS A 32 -2.932 4.833 0.199 1.00 0.00 C ATOM 495 C LYS A 32 -3.211 5.974 1.191 1.00 0.00 C ATOM 496 O LYS A 32 -3.499 7.085 0.788 1.00 0.00 O ATOM 497 CB LYS A 32 -4.184 4.512 -0.616 1.00 0.00 C ATOM 498 CG LYS A 32 -3.800 3.680 -1.850 1.00 0.00 C ATOM 499 CD LYS A 32 -3.924 4.536 -3.114 1.00 0.00 C ATOM 500 CE LYS A 32 -5.394 4.884 -3.354 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.367 6.182 -4.083 1.00 0.00 N ATOM 0 H LYS A 32 -3.335 2.885 0.959 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.110 5.171 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.898 3.962 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.674 5.435 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.779 3.312 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.448 2.807 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.336 5.448 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.522 3.997 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.892 4.112 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.938 4.970 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.341 6.488 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.893 6.899 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.848 6.067 -4.977 1.00 0.00 H new ATOM 515 N GLN A 33 -3.081 5.728 2.474 1.00 0.00 N ATOM 516 CA GLN A 33 -3.287 6.821 3.474 1.00 0.00 C ATOM 517 C GLN A 33 -1.905 7.134 4.018 1.00 0.00 C ATOM 518 O GLN A 33 -1.470 8.265 4.103 1.00 0.00 O ATOM 519 CB GLN A 33 -4.191 6.229 4.555 1.00 0.00 C ATOM 520 CG GLN A 33 -4.597 7.326 5.544 1.00 0.00 C ATOM 521 CD GLN A 33 -6.014 7.057 6.053 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.806 6.427 5.381 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.372 7.513 7.222 1.00 0.00 N ATOM 0 H GLN A 33 -2.842 4.819 2.870 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.742 7.729 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.078 5.789 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.671 5.427 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.898 7.353 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.552 8.301 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.709 8.042 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.315 7.340 7.570 1.00 0.00 H new ATOM 532 N TYR A 34 -1.199 6.083 4.317 1.00 0.00 N ATOM 533 CA TYR A 34 0.207 6.171 4.791 1.00 0.00 C ATOM 534 C TYR A 34 1.026 7.014 3.788 1.00 0.00 C ATOM 535 O TYR A 34 1.876 7.799 4.161 1.00 0.00 O ATOM 536 CB TYR A 34 0.615 4.686 4.774 1.00 0.00 C ATOM 537 CG TYR A 34 2.120 4.506 4.669 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.750 4.570 3.419 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.878 4.273 5.823 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.136 4.402 3.325 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.264 4.105 5.728 1.00 0.00 C ATOM 542 CZ TYR A 34 4.893 4.170 4.479 1.00 0.00 C ATOM 543 OH TYR A 34 6.260 4.003 4.385 1.00 0.00 O ATOM 0 H TYR A 34 -1.554 5.129 4.249 1.00 0.00 H new ATOM 0 HA TYR A 34 0.357 6.645 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.255 4.202 5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.132 4.188 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.166 4.749 2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.393 4.223 6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.622 4.451 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.848 3.925 6.618 1.00 0.00 H new ATOM 0 HH TYR A 34 6.633 3.852 5.278 1.00 0.00 H new ATOM 553 N ALA A 35 0.750 6.845 2.519 1.00 0.00 N ATOM 554 CA ALA A 35 1.480 7.618 1.467 1.00 0.00 C ATOM 555 C ALA A 35 1.179 9.113 1.601 1.00 0.00 C ATOM 556 O ALA A 35 2.072 9.938 1.602 1.00 0.00 O ATOM 557 CB ALA A 35 0.940 7.096 0.130 1.00 0.00 C ATOM 0 H ALA A 35 0.045 6.199 2.164 1.00 0.00 H new ATOM 0 HA ALA A 35 2.560 7.494 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.432 7.619 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.139 6.027 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.135 7.270 0.079 1.00 0.00 H new ATOM 563 N ASN A 36 -0.078 9.465 1.702 1.00 0.00 N ATOM 564 CA ASN A 36 -0.457 10.910 1.824 1.00 0.00 C ATOM 565 C ASN A 36 0.221 11.551 3.038 1.00 0.00 C ATOM 566 O ASN A 36 0.801 12.617 2.942 1.00 0.00 O ATOM 567 CB ASN A 36 -1.974 10.915 2.001 1.00 0.00 C ATOM 568 CG ASN A 36 -2.648 10.767 0.635 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.067 11.741 0.042 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.772 9.580 0.106 1.00 0.00 N ATOM 0 H ASN A 36 -0.862 8.813 1.705 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.143 11.482 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.277 10.100 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.292 11.843 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.220 9.471 -0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.421 8.761 0.603 1.00 0.00 H new ATOM 577 N ASP A 37 0.148 10.914 4.181 1.00 0.00 N ATOM 578 CA ASP A 37 0.787 11.491 5.411 1.00 0.00 C ATOM 579 C ASP A 37 2.277 11.753 5.182 1.00 0.00 C ATOM 580 O ASP A 37 2.880 12.576 5.845 1.00 0.00 O ATOM 581 CB ASP A 37 0.590 10.435 6.501 1.00 0.00 C ATOM 582 CG ASP A 37 0.782 11.079 7.876 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.904 11.446 8.184 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.196 11.194 8.596 1.00 0.00 O ATOM 0 H ASP A 37 -0.325 10.021 4.318 1.00 0.00 H new ATOM 0 HA ASP A 37 0.342 12.448 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.407 10.002 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.302 9.621 6.366 1.00 0.00 H new ATOM 589 N ASN A 38 2.867 11.060 4.249 1.00 0.00 N ATOM 590 CA ASN A 38 4.312 11.252 3.963 1.00 0.00 C ATOM 591 C ASN A 38 4.504 12.122 2.715 1.00 0.00 C ATOM 592 O ASN A 38 5.522 12.770 2.554 1.00 0.00 O ATOM 593 CB ASN A 38 4.862 9.845 3.730 1.00 0.00 C ATOM 594 CG ASN A 38 5.346 9.259 5.059 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.229 9.806 5.689 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.800 8.165 5.513 1.00 0.00 N ATOM 0 H ASN A 38 2.403 10.362 3.667 1.00 0.00 H new ATOM 0 HA ASN A 38 4.826 11.760 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.090 9.208 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.683 9.878 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.114 7.768 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.059 7.707 4.983 1.00 0.00 H new ATOM 603 N GLY A 39 3.537 12.139 1.832 1.00 0.00 N ATOM 604 CA GLY A 39 3.658 12.962 0.591 1.00 0.00 C ATOM 605 C GLY A 39 3.904 12.041 -0.605 1.00 0.00 C ATOM 606 O GLY A 39 4.584 12.398 -1.548 1.00 0.00 O ATOM 0 H GLY A 39 2.666 11.616 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.749 13.543 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.478 13.673 0.691 1.00 0.00 H new ATOM 610 N ILE A 40 3.355 10.855 -0.564 1.00 0.00 N ATOM 611 CA ILE A 40 3.543 9.888 -1.685 1.00 0.00 C ATOM 612 C ILE A 40 2.350 10.004 -2.642 1.00 0.00 C ATOM 613 O ILE A 40 1.250 9.581 -2.339 1.00 0.00 O ATOM 614 CB ILE A 40 3.625 8.523 -0.964 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.065 8.262 -0.530 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.172 7.358 -1.849 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.478 9.308 0.499 1.00 0.00 C ATOM 0 H ILE A 40 2.779 10.513 0.205 1.00 0.00 H new ATOM 0 HA ILE A 40 4.427 10.054 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 40 2.954 8.578 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.153 7.262 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.730 8.301 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.251 6.425 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.137 7.513 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.806 7.306 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.506 9.125 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.405 10.302 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.819 9.246 1.365 1.00 0.00 H new ATOM 629 N ASP A 41 2.569 10.590 -3.788 1.00 0.00 N ATOM 630 CA ASP A 41 1.456 10.755 -4.775 1.00 0.00 C ATOM 631 C ASP A 41 1.987 10.714 -6.211 1.00 0.00 C ATOM 632 O ASP A 41 2.556 11.672 -6.700 1.00 0.00 O ATOM 633 CB ASP A 41 0.859 12.129 -4.466 1.00 0.00 C ATOM 634 CG ASP A 41 -0.583 12.187 -4.973 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.764 12.238 -6.178 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.482 12.181 -4.147 1.00 0.00 O ATOM 0 H ASP A 41 3.470 10.963 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 41 0.720 9.955 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.886 12.315 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.454 12.910 -4.940 1.00 0.00 H new ATOM 641 N GLY A 42 1.801 9.609 -6.887 1.00 0.00 N ATOM 642 CA GLY A 42 2.285 9.487 -8.294 1.00 0.00 C ATOM 643 C GLY A 42 1.511 8.371 -9.007 1.00 0.00 C ATOM 644 O GLY A 42 0.863 8.599 -10.010 1.00 0.00 O ATOM 0 H GLY A 42 1.331 8.781 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.148 10.432 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.353 9.268 -8.305 1.00 0.00 H new ATOM 648 N GLU A 43 1.579 7.168 -8.493 1.00 0.00 N ATOM 649 CA GLU A 43 0.849 6.026 -9.134 1.00 0.00 C ATOM 650 C GLU A 43 0.496 4.971 -8.078 1.00 0.00 C ATOM 651 O GLU A 43 0.887 5.086 -6.940 1.00 0.00 O ATOM 652 CB GLU A 43 1.837 5.458 -10.157 1.00 0.00 C ATOM 653 CG GLU A 43 1.077 4.976 -11.394 1.00 0.00 C ATOM 654 CD GLU A 43 0.918 6.135 -12.379 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.873 6.871 -12.558 1.00 0.00 O ATOM 656 OE2 GLU A 43 -0.159 6.266 -12.938 1.00 0.00 O ATOM 0 H GLU A 43 2.109 6.925 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.087 6.334 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.563 6.221 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.397 4.632 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.615 4.154 -11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.098 4.593 -11.106 1.00 0.00 H new ATOM 663 N TRP A 44 -0.240 3.949 -8.455 1.00 0.00 N ATOM 664 CA TRP A 44 -0.627 2.871 -7.482 1.00 0.00 C ATOM 665 C TRP A 44 -0.988 1.597 -8.244 1.00 0.00 C ATOM 666 O TRP A 44 -1.808 1.616 -9.144 1.00 0.00 O ATOM 667 CB TRP A 44 -1.866 3.398 -6.750 1.00 0.00 C ATOM 668 CG TRP A 44 -1.449 4.181 -5.557 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.339 5.528 -5.488 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.093 3.671 -4.253 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.908 5.871 -4.218 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.747 4.756 -3.420 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.033 2.374 -3.727 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.347 4.560 -2.100 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.634 2.170 -2.397 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.290 3.263 -1.586 1.00 0.00 C ATOM 0 H TRP A 44 -0.592 3.814 -9.403 1.00 0.00 H new ATOM 0 HA TRP A 44 0.184 2.637 -6.793 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.457 4.024 -7.419 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.502 2.566 -6.447 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.552 6.220 -6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.732 6.827 -3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.294 1.529 -4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.083 5.404 -1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.591 1.168 -1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.019 3.101 -0.564 1.00 0.00 H new ATOM 687 N THR A 45 -0.387 0.493 -7.888 1.00 0.00 N ATOM 688 CA THR A 45 -0.699 -0.791 -8.590 1.00 0.00 C ATOM 689 C THR A 45 -0.637 -1.940 -7.598 1.00 0.00 C ATOM 690 O THR A 45 0.307 -2.060 -6.844 1.00 0.00 O ATOM 691 CB THR A 45 0.378 -0.979 -9.670 1.00 0.00 C ATOM 692 OG1 THR A 45 1.596 -1.382 -9.061 1.00 0.00 O ATOM 693 CG2 THR A 45 0.602 0.323 -10.437 1.00 0.00 C ATOM 0 H THR A 45 0.306 0.422 -7.143 1.00 0.00 H new ATOM 0 HA THR A 45 -1.696 -0.769 -9.030 1.00 0.00 H new ATOM 0 HB THR A 45 0.041 -1.745 -10.368 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.282 -1.503 -9.750 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.368 0.170 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.329 0.628 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.927 1.101 -9.746 1.00 0.00 H new ATOM 701 N TYR A 46 -1.626 -2.787 -7.603 1.00 0.00 N ATOM 702 CA TYR A 46 -1.623 -3.943 -6.663 1.00 0.00 C ATOM 703 C TYR A 46 -1.073 -5.186 -7.375 1.00 0.00 C ATOM 704 O TYR A 46 -1.276 -5.377 -8.559 1.00 0.00 O ATOM 705 CB TYR A 46 -3.090 -4.138 -6.246 1.00 0.00 C ATOM 706 CG TYR A 46 -3.234 -5.432 -5.468 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.444 -5.655 -4.335 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.136 -6.413 -5.897 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.560 -6.855 -3.627 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.250 -7.616 -5.189 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.462 -7.836 -4.053 1.00 0.00 C ATOM 712 OH TYR A 46 -3.573 -9.022 -3.358 1.00 0.00 O ATOM 0 H TYR A 46 -2.438 -2.730 -8.218 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.991 -3.773 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.419 -3.297 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.729 -4.160 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.745 -4.900 -4.007 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.744 -6.242 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.953 -7.025 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.945 -8.373 -5.519 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.245 -9.591 -3.787 1.00 0.00 H new ATOM 722 N ASP A 47 -0.391 -6.031 -6.649 1.00 0.00 N ATOM 723 CA ASP A 47 0.166 -7.271 -7.257 1.00 0.00 C ATOM 724 C ASP A 47 -0.456 -8.495 -6.583 1.00 0.00 C ATOM 725 O ASP A 47 -0.036 -8.910 -5.519 1.00 0.00 O ATOM 726 CB ASP A 47 1.670 -7.209 -6.988 1.00 0.00 C ATOM 727 CG ASP A 47 2.400 -8.139 -7.958 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.422 -9.332 -7.702 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.924 -7.644 -8.942 1.00 0.00 O ATOM 0 H ASP A 47 -0.195 -5.913 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.045 -7.347 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.030 -6.187 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.879 -7.503 -5.959 1.00 0.00 H new ATOM 734 N ASP A 48 -1.456 -9.075 -7.201 1.00 0.00 N ATOM 735 CA ASP A 48 -2.121 -10.278 -6.604 1.00 0.00 C ATOM 736 C ASP A 48 -1.200 -11.508 -6.652 1.00 0.00 C ATOM 737 O ASP A 48 -1.524 -12.549 -6.110 1.00 0.00 O ATOM 738 CB ASP A 48 -3.366 -10.512 -7.460 1.00 0.00 C ATOM 739 CG ASP A 48 -4.309 -11.475 -6.735 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.962 -12.638 -6.621 1.00 0.00 O ATOM 741 OD2 ASP A 48 -5.361 -11.032 -6.307 1.00 0.00 O ATOM 0 H ASP A 48 -1.842 -8.768 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.364 -10.118 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.872 -9.566 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.082 -10.924 -8.429 1.00 0.00 H new ATOM 746 N ALA A 49 -0.058 -11.399 -7.287 1.00 0.00 N ATOM 747 CA ALA A 49 0.881 -12.556 -7.362 1.00 0.00 C ATOM 748 C ALA A 49 1.871 -12.491 -6.197 1.00 0.00 C ATOM 749 O ALA A 49 2.375 -13.502 -5.745 1.00 0.00 O ATOM 750 CB ALA A 49 1.607 -12.394 -8.697 1.00 0.00 C ATOM 0 H ALA A 49 0.263 -10.553 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 49 0.369 -13.516 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.318 -13.210 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.882 -12.413 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.140 -11.443 -8.708 1.00 0.00 H new ATOM 756 N THR A 50 2.138 -11.309 -5.699 1.00 0.00 N ATOM 757 CA THR A 50 3.077 -11.170 -4.552 1.00 0.00 C ATOM 758 C THR A 50 2.394 -10.420 -3.401 1.00 0.00 C ATOM 759 O THR A 50 3.019 -10.101 -2.408 1.00 0.00 O ATOM 760 CB THR A 50 4.252 -10.357 -5.099 1.00 0.00 C ATOM 761 OG1 THR A 50 3.774 -9.113 -5.591 1.00 0.00 O ATOM 762 CG2 THR A 50 4.926 -11.131 -6.231 1.00 0.00 C ATOM 0 H THR A 50 1.743 -10.433 -6.041 1.00 0.00 H new ATOM 0 HA THR A 50 3.397 -12.135 -4.159 1.00 0.00 H new ATOM 0 HB THR A 50 4.976 -10.180 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.525 -8.589 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.763 -10.551 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.291 -12.086 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.206 -11.309 -7.029 1.00 0.00 H new ATOM 770 N LYS A 51 1.112 -10.128 -3.526 1.00 0.00 N ATOM 771 CA LYS A 51 0.385 -9.392 -2.442 1.00 0.00 C ATOM 772 C LYS A 51 1.115 -8.087 -2.112 1.00 0.00 C ATOM 773 O LYS A 51 1.251 -7.715 -0.961 1.00 0.00 O ATOM 774 CB LYS A 51 0.381 -10.331 -1.227 1.00 0.00 C ATOM 775 CG LYS A 51 -0.318 -11.646 -1.591 1.00 0.00 C ATOM 776 CD LYS A 51 -1.832 -11.476 -1.456 1.00 0.00 C ATOM 777 CE LYS A 51 -2.467 -12.824 -1.110 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.755 -12.846 -1.858 1.00 0.00 N ATOM 0 H LYS A 51 0.542 -10.371 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.629 -9.127 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.403 -10.529 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.131 -9.856 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.064 -11.935 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.028 -12.447 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.059 -10.745 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.250 -11.093 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.823 -13.652 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.632 -12.919 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.250 -13.742 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.350 -12.051 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.566 -12.761 -2.877 1.00 0.00 H new ATOM 792 N THR A 52 1.597 -7.400 -3.117 1.00 0.00 N ATOM 793 CA THR A 52 2.332 -6.120 -2.865 1.00 0.00 C ATOM 794 C THR A 52 1.836 -5.006 -3.794 1.00 0.00 C ATOM 795 O THR A 52 1.623 -5.218 -4.972 1.00 0.00 O ATOM 796 CB THR A 52 3.796 -6.446 -3.159 1.00 0.00 C ATOM 797 OG1 THR A 52 4.151 -7.657 -2.506 1.00 0.00 O ATOM 798 CG2 THR A 52 4.687 -5.310 -2.652 1.00 0.00 C ATOM 0 H THR A 52 1.515 -7.668 -4.098 1.00 0.00 H new ATOM 0 HA THR A 52 2.181 -5.760 -1.847 1.00 0.00 H new ATOM 0 HB THR A 52 3.934 -6.559 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.733 -8.413 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.730 -5.544 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.415 -4.382 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.551 -5.193 -1.577 1.00 0.00 H new ATOM 806 N PHE A 53 1.666 -3.815 -3.268 1.00 0.00 N ATOM 807 CA PHE A 53 1.200 -2.674 -4.115 1.00 0.00 C ATOM 808 C PHE A 53 2.420 -1.916 -4.665 1.00 0.00 C ATOM 809 O PHE A 53 3.543 -2.353 -4.490 1.00 0.00 O ATOM 810 CB PHE A 53 0.372 -1.792 -3.177 1.00 0.00 C ATOM 811 CG PHE A 53 -0.912 -2.504 -2.810 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.901 -3.506 -1.829 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.113 -2.165 -3.449 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.090 -4.167 -1.489 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.299 -2.830 -3.107 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.286 -3.828 -2.127 1.00 0.00 C ATOM 0 H PHE A 53 1.830 -3.586 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 53 0.610 -2.994 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.943 -1.565 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.147 -0.841 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.023 -3.769 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.125 -1.393 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.081 -4.939 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.224 -2.571 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.201 -4.337 -1.863 1.00 0.00 H new ATOM 826 N THR A 54 2.227 -0.787 -5.324 1.00 0.00 N ATOM 827 CA THR A 54 3.396 -0.034 -5.865 1.00 0.00 C ATOM 828 C THR A 54 2.989 1.415 -6.059 1.00 0.00 C ATOM 829 O THR A 54 2.258 1.742 -6.977 1.00 0.00 O ATOM 830 CB THR A 54 3.735 -0.676 -7.215 1.00 0.00 C ATOM 831 OG1 THR A 54 3.453 -2.069 -7.181 1.00 0.00 O ATOM 832 CG2 THR A 54 5.220 -0.466 -7.519 1.00 0.00 C ATOM 0 H THR A 54 1.316 -0.365 -5.505 1.00 0.00 H new ATOM 0 HA THR A 54 4.256 -0.066 -5.196 1.00 0.00 H new ATOM 0 HB THR A 54 3.129 -0.210 -7.992 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.741 -2.274 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.463 -0.922 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.436 0.602 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.821 -0.928 -6.735 1.00 0.00 H new ATOM 840 N VAL A 55 3.437 2.283 -5.197 1.00 0.00 N ATOM 841 CA VAL A 55 3.053 3.714 -5.326 1.00 0.00 C ATOM 842 C VAL A 55 4.277 4.575 -5.627 1.00 0.00 C ATOM 843 O VAL A 55 5.314 4.448 -5.003 1.00 0.00 O ATOM 844 CB VAL A 55 2.394 4.090 -3.987 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.332 3.771 -2.825 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.054 5.584 -3.969 1.00 0.00 C ATOM 0 H VAL A 55 4.050 2.064 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 55 2.364 3.882 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 55 1.479 3.508 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.852 4.042 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.558 2.705 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.256 4.338 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.588 5.840 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.967 6.166 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.365 5.810 -4.783 1.00 0.00 H new ATOM 856 N THR A 56 4.151 5.449 -6.590 1.00 0.00 N ATOM 857 CA THR A 56 5.289 6.330 -6.960 1.00 0.00 C ATOM 858 C THR A 56 4.882 7.800 -6.796 1.00 0.00 C ATOM 859 O THR A 56 3.805 8.101 -6.320 1.00 0.00 O ATOM 860 CB THR A 56 5.617 5.945 -8.425 1.00 0.00 C ATOM 861 OG1 THR A 56 7.019 6.062 -8.633 1.00 0.00 O ATOM 862 CG2 THR A 56 4.875 6.815 -9.451 1.00 0.00 C ATOM 0 H THR A 56 3.302 5.589 -7.138 1.00 0.00 H new ATOM 0 HA THR A 56 6.168 6.205 -6.328 1.00 0.00 H new ATOM 0 HB THR A 56 5.284 4.918 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.256 5.665 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.144 6.499 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.800 6.705 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.154 7.859 -9.312 1.00 0.00 H new ATOM 870 N GLU A 57 5.736 8.705 -7.190 1.00 0.00 N ATOM 871 CA GLU A 57 5.403 10.155 -7.065 1.00 0.00 C ATOM 872 C GLU A 57 5.588 10.857 -8.414 1.00 0.00 C ATOM 873 O GLU A 57 5.775 10.163 -9.400 1.00 0.00 O ATOM 874 CB GLU A 57 6.395 10.702 -6.035 1.00 0.00 C ATOM 875 CG GLU A 57 5.966 12.110 -5.592 1.00 0.00 C ATOM 876 CD GLU A 57 7.159 13.065 -5.671 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.383 13.616 -6.737 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.828 13.231 -4.664 1.00 0.00 O ATOM 879 OXT GLU A 57 5.537 12.076 -8.437 1.00 0.00 O ATOM 0 H GLU A 57 6.651 8.504 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 57 4.369 10.317 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.440 10.038 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.397 10.736 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.157 12.470 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.580 12.079 -4.573 1.00 0.00 H new