USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 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= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.498 USER MOD Set 2.2: A 54 THR OG1 : rot 116:sc= 0.267 USER MOD Set 3.1: A 9 ASN : amide:sc= -1.99 K(o=-3.2,f=0.23) USER MOD Set 3.2: A 56 THR OG1 : rot -140:sc= -1.25 USER MOD Single : A 2 THR OG1 : rot 42:sc= 0.314 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= 0.0436 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.118) USER MOD Single : A 18 THR OG1 : rot 48:sc= 0.0286 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 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 36 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00328 K(o=-0.0033,f=0.55) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.227 -12.173 6.154 1.00 0.00 N ATOM 21 CA THR A 2 -2.597 -11.213 5.071 1.00 0.00 C ATOM 22 C THR A 2 -1.709 -9.967 5.142 1.00 0.00 C ATOM 23 O THR A 2 -2.109 -8.889 4.744 1.00 0.00 O ATOM 24 CB THR A 2 -4.056 -10.849 5.345 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.833 -12.036 5.418 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.582 -9.960 4.218 1.00 0.00 C ATOM 0 HA THR A 2 -2.464 -11.641 4.077 1.00 0.00 H new ATOM 0 HB THR A 2 -4.125 -10.311 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.339 -12.720 5.917 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.622 -9.701 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.985 -9.049 4.164 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.514 -10.495 3.271 1.00 0.00 H new ATOM 34 N THR A 3 -0.509 -10.110 5.645 1.00 0.00 N ATOM 35 CA THR A 3 0.411 -8.935 5.745 1.00 0.00 C ATOM 36 C THR A 3 0.733 -8.398 4.347 1.00 0.00 C ATOM 37 O THR A 3 1.634 -8.875 3.683 1.00 0.00 O ATOM 38 CB THR A 3 1.679 -9.467 6.418 1.00 0.00 C ATOM 39 OG1 THR A 3 1.319 -10.360 7.464 1.00 0.00 O ATOM 40 CG2 THR A 3 2.481 -8.300 6.995 1.00 0.00 C ATOM 0 H THR A 3 -0.126 -10.990 5.991 1.00 0.00 H new ATOM 0 HA THR A 3 -0.032 -8.115 6.310 1.00 0.00 H new ATOM 0 HB THR A 3 2.287 -9.994 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.130 -10.703 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.383 -8.680 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.757 -7.616 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.875 -7.771 7.731 1.00 0.00 H new ATOM 48 N PHE A 4 0.000 -7.409 3.901 1.00 0.00 N ATOM 49 CA PHE A 4 0.257 -6.834 2.546 1.00 0.00 C ATOM 50 C PHE A 4 1.471 -5.904 2.592 1.00 0.00 C ATOM 51 O PHE A 4 1.748 -5.284 3.602 1.00 0.00 O ATOM 52 CB PHE A 4 -1.008 -6.046 2.200 1.00 0.00 C ATOM 53 CG PHE A 4 -2.041 -6.983 1.623 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.843 -7.550 0.358 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.195 -7.288 2.353 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.800 -8.419 -0.177 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.152 -8.157 1.816 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.954 -8.723 0.553 1.00 0.00 C ATOM 0 H PHE A 4 -0.765 -6.975 4.417 1.00 0.00 H new ATOM 0 HA PHE A 4 0.471 -7.604 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.401 -5.559 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.775 -5.259 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.951 -7.316 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.347 -6.853 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.648 -8.855 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.044 -8.391 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.692 -9.395 0.141 1.00 0.00 H new ATOM 68 N LYS A 5 2.199 -5.808 1.509 1.00 0.00 N ATOM 69 CA LYS A 5 3.401 -4.923 1.486 1.00 0.00 C ATOM 70 C LYS A 5 3.140 -3.691 0.614 1.00 0.00 C ATOM 71 O LYS A 5 2.040 -3.485 0.134 1.00 0.00 O ATOM 72 CB LYS A 5 4.510 -5.783 0.881 1.00 0.00 C ATOM 73 CG LYS A 5 5.856 -5.363 1.467 1.00 0.00 C ATOM 74 CD LYS A 5 6.784 -6.577 1.527 1.00 0.00 C ATOM 75 CE LYS A 5 7.173 -6.991 0.106 1.00 0.00 C ATOM 76 NZ LYS A 5 8.336 -7.906 0.279 1.00 0.00 N ATOM 0 H LYS A 5 2.012 -6.305 0.638 1.00 0.00 H new ATOM 0 HA LYS A 5 3.662 -4.556 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.323 -6.836 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.522 -5.670 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.303 -4.579 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.717 -4.948 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.677 -6.338 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.287 -7.403 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.348 -7.492 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.439 -6.124 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.256 -8.699 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.218 -7.386 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.347 -8.273 1.252 1.00 0.00 H new ATOM 90 N LEU A 6 4.143 -2.873 0.405 1.00 0.00 N ATOM 91 CA LEU A 6 3.953 -1.653 -0.437 1.00 0.00 C ATOM 92 C LEU A 6 5.309 -1.100 -0.877 1.00 0.00 C ATOM 93 O LEU A 6 5.955 -0.371 -0.148 1.00 0.00 O ATOM 94 CB LEU A 6 3.230 -0.654 0.472 1.00 0.00 C ATOM 95 CG LEU A 6 2.965 0.652 -0.287 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.709 0.503 -1.144 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.760 1.790 0.716 1.00 0.00 C ATOM 0 H LEU A 6 5.083 -2.998 0.781 1.00 0.00 H new ATOM 0 HA LEU A 6 3.387 -1.859 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.288 -1.080 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.833 -0.453 1.357 1.00 0.00 H new ATOM 0 HG LEU A 6 3.817 0.876 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.523 1.433 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.850 -0.308 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.856 0.278 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.572 2.719 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.908 1.562 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.655 1.900 1.329 1.00 0.00 H new ATOM 109 N ILE A 7 5.730 -1.422 -2.073 1.00 0.00 N ATOM 110 CA ILE A 7 7.030 -0.900 -2.575 1.00 0.00 C ATOM 111 C ILE A 7 6.814 0.532 -3.038 1.00 0.00 C ATOM 112 O ILE A 7 6.039 0.784 -3.945 1.00 0.00 O ATOM 113 CB ILE A 7 7.413 -1.803 -3.750 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.546 -3.248 -3.262 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.751 -1.344 -4.334 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.764 -4.175 -4.459 1.00 0.00 C ATOM 0 H ILE A 7 5.226 -2.026 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 7 7.816 -0.901 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 7 6.640 -1.744 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.381 -3.332 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.648 -3.543 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.023 -1.988 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.662 -0.315 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.522 -1.402 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.859 -5.203 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.915 -4.099 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.674 -3.884 -4.983 1.00 0.00 H new ATOM 128 N ILE A 8 7.464 1.476 -2.412 1.00 0.00 N ATOM 129 CA ILE A 8 7.254 2.893 -2.820 1.00 0.00 C ATOM 130 C ILE A 8 8.174 3.238 -3.995 1.00 0.00 C ATOM 131 O ILE A 8 9.378 3.322 -3.844 1.00 0.00 O ATOM 132 CB ILE A 8 7.590 3.782 -1.613 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.984 3.216 -0.303 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.038 5.190 -1.884 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.459 3.344 -0.289 1.00 0.00 C ATOM 0 H ILE A 8 8.122 1.330 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 8 6.222 3.051 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 8 8.672 3.813 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.263 2.168 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.403 3.747 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.266 5.839 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.498 5.594 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.958 5.137 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.068 2.937 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.181 4.395 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.040 2.791 -1.130 1.00 0.00 H new ATOM 147 N ASN A 9 7.615 3.438 -5.160 1.00 0.00 N ATOM 148 CA ASN A 9 8.450 3.779 -6.354 1.00 0.00 C ATOM 149 C ASN A 9 8.717 5.293 -6.424 1.00 0.00 C ATOM 150 O ASN A 9 9.265 5.779 -7.396 1.00 0.00 O ATOM 151 CB ASN A 9 7.609 3.328 -7.549 1.00 0.00 C ATOM 152 CG ASN A 9 8.352 3.616 -8.859 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.539 3.374 -8.961 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.701 4.125 -9.874 1.00 0.00 N ATOM 0 H ASN A 9 6.612 3.380 -5.338 1.00 0.00 H new ATOM 0 HA ASN A 9 9.427 3.297 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.395 2.262 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.650 3.847 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.190 4.318 -10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.705 4.329 -9.791 1.00 0.00 H new ATOM 161 N GLY A 10 8.337 6.039 -5.412 1.00 0.00 N ATOM 162 CA GLY A 10 8.571 7.514 -5.438 1.00 0.00 C ATOM 163 C GLY A 10 9.903 7.831 -4.758 1.00 0.00 C ATOM 164 O GLY A 10 10.643 6.943 -4.380 1.00 0.00 O ATOM 0 H GLY A 10 7.876 5.688 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.581 7.873 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.758 8.031 -4.928 1.00 0.00 H new ATOM 168 N LYS A 11 10.210 9.095 -4.600 1.00 0.00 N ATOM 169 CA LYS A 11 11.495 9.482 -3.942 1.00 0.00 C ATOM 170 C LYS A 11 11.224 10.112 -2.570 1.00 0.00 C ATOM 171 O LYS A 11 12.006 10.903 -2.078 1.00 0.00 O ATOM 172 CB LYS A 11 12.145 10.499 -4.889 1.00 0.00 C ATOM 173 CG LYS A 11 11.204 11.689 -5.114 1.00 0.00 C ATOM 174 CD LYS A 11 12.025 12.971 -5.261 1.00 0.00 C ATOM 175 CE LYS A 11 11.178 14.172 -4.839 1.00 0.00 C ATOM 176 NZ LYS A 11 10.366 14.510 -6.041 1.00 0.00 N ATOM 0 H LYS A 11 9.625 9.876 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 11 12.142 8.622 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.089 10.847 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.376 10.023 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.602 11.526 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.512 11.782 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.923 12.912 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.353 13.089 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.542 13.927 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.805 15.011 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.757 15.326 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.999 14.745 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.775 13.695 -6.301 1.00 0.00 H new ATOM 190 N THR A 12 10.124 9.759 -1.952 1.00 0.00 N ATOM 191 CA THR A 12 9.796 10.328 -0.610 1.00 0.00 C ATOM 192 C THR A 12 9.536 9.203 0.394 1.00 0.00 C ATOM 193 O THR A 12 8.849 9.391 1.381 1.00 0.00 O ATOM 194 CB THR A 12 8.527 11.155 -0.828 1.00 0.00 C ATOM 195 OG1 THR A 12 7.640 10.444 -1.680 1.00 0.00 O ATOM 196 CG2 THR A 12 8.893 12.493 -1.472 1.00 0.00 C ATOM 0 H THR A 12 9.438 9.100 -2.321 1.00 0.00 H new ATOM 0 HA THR A 12 10.611 10.930 -0.208 1.00 0.00 H new ATOM 0 HB THR A 12 8.042 11.336 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.826 10.972 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.989 13.082 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.573 13.038 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.379 12.314 -2.431 1.00 0.00 H new ATOM 204 N LEU A 13 10.082 8.036 0.152 1.00 0.00 N ATOM 205 CA LEU A 13 9.873 6.891 1.089 1.00 0.00 C ATOM 206 C LEU A 13 10.757 5.708 0.678 1.00 0.00 C ATOM 207 O LEU A 13 11.680 5.339 1.377 1.00 0.00 O ATOM 208 CB LEU A 13 8.387 6.522 0.955 1.00 0.00 C ATOM 209 CG LEU A 13 7.656 6.781 2.275 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.173 6.433 2.111 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.258 5.910 3.383 1.00 0.00 C ATOM 0 H LEU A 13 10.666 7.828 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 13 10.135 7.148 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.930 7.107 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.289 5.473 0.677 1.00 0.00 H new ATOM 0 HG LEU A 13 7.762 7.832 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.650 6.617 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.738 7.053 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.074 5.382 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.734 6.099 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.155 4.858 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.314 6.152 3.503 1.00 0.00 H new ATOM 223 N LYS A 14 10.476 5.113 -0.458 1.00 0.00 N ATOM 224 CA LYS A 14 11.287 3.947 -0.941 1.00 0.00 C ATOM 225 C LYS A 14 11.372 2.856 0.135 1.00 0.00 C ATOM 226 O LYS A 14 12.184 2.927 1.037 1.00 0.00 O ATOM 227 CB LYS A 14 12.679 4.515 -1.240 1.00 0.00 C ATOM 228 CG LYS A 14 12.709 5.084 -2.663 1.00 0.00 C ATOM 229 CD LYS A 14 13.347 4.066 -3.611 1.00 0.00 C ATOM 230 CE LYS A 14 14.840 4.369 -3.758 1.00 0.00 C ATOM 231 NZ LYS A 14 14.911 5.484 -4.741 1.00 0.00 N ATOM 0 H LYS A 14 9.713 5.387 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 14 10.838 3.483 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.926 5.295 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.432 3.734 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.697 5.318 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.274 6.016 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.207 3.056 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.860 4.106 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.281 4.656 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.387 3.495 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.395 5.158 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.949 5.796 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.439 6.278 -4.327 1.00 0.00 H new ATOM 245 N GLY A 15 10.539 1.848 0.041 1.00 0.00 N ATOM 246 CA GLY A 15 10.569 0.750 1.054 1.00 0.00 C ATOM 247 C GLY A 15 9.312 -0.115 0.923 1.00 0.00 C ATOM 248 O GLY A 15 8.239 0.375 0.622 1.00 0.00 O ATOM 0 H GLY A 15 9.840 1.739 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.459 0.137 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.628 1.171 2.058 1.00 0.00 H new ATOM 252 N GLU A 16 9.445 -1.400 1.135 1.00 0.00 N ATOM 253 CA GLU A 16 8.276 -2.316 1.021 1.00 0.00 C ATOM 254 C GLU A 16 7.739 -2.691 2.415 1.00 0.00 C ATOM 255 O GLU A 16 7.715 -3.847 2.791 1.00 0.00 O ATOM 256 CB GLU A 16 8.839 -3.530 0.270 1.00 0.00 C ATOM 257 CG GLU A 16 9.821 -4.316 1.152 1.00 0.00 C ATOM 258 CD GLU A 16 10.986 -4.827 0.301 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.793 -5.802 -0.407 1.00 0.00 O ATOM 260 OE2 GLU A 16 12.050 -4.233 0.370 1.00 0.00 O ATOM 0 H GLU A 16 10.323 -1.855 1.384 1.00 0.00 H new ATOM 0 HA GLU A 16 7.427 -1.872 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.022 -4.181 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.344 -3.199 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.196 -3.678 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.309 -5.154 1.625 1.00 0.00 H new ATOM 267 N ILE A 17 7.300 -1.718 3.179 1.00 0.00 N ATOM 268 CA ILE A 17 6.758 -2.018 4.547 1.00 0.00 C ATOM 269 C ILE A 17 5.595 -3.010 4.448 1.00 0.00 C ATOM 270 O ILE A 17 4.866 -3.027 3.474 1.00 0.00 O ATOM 271 CB ILE A 17 6.282 -0.673 5.111 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.259 -0.036 4.163 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.479 0.267 5.270 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.281 0.820 4.970 1.00 0.00 C ATOM 0 H ILE A 17 7.293 -0.732 2.917 1.00 0.00 H new ATOM 0 HA ILE A 17 7.510 -2.473 5.192 1.00 0.00 H new ATOM 0 HB ILE A 17 5.814 -0.841 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.768 0.577 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.718 -0.811 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.141 1.223 5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.202 -0.177 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.948 0.426 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.553 1.273 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.763 0.194 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.829 1.604 5.493 1.00 0.00 H new ATOM 286 N THR A 18 5.426 -3.845 5.443 1.00 0.00 N ATOM 287 CA THR A 18 4.321 -4.851 5.403 1.00 0.00 C ATOM 288 C THR A 18 3.305 -4.590 6.517 1.00 0.00 C ATOM 289 O THR A 18 3.664 -4.334 7.651 1.00 0.00 O ATOM 290 CB THR A 18 5.009 -6.201 5.619 1.00 0.00 C ATOM 291 OG1 THR A 18 5.975 -6.077 6.653 1.00 0.00 O ATOM 292 CG2 THR A 18 5.697 -6.639 4.325 1.00 0.00 C ATOM 0 H THR A 18 6.006 -3.873 6.282 1.00 0.00 H new ATOM 0 HA THR A 18 3.771 -4.811 4.463 1.00 0.00 H new ATOM 0 HB THR A 18 4.266 -6.947 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.573 -5.624 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.186 -7.600 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.955 -6.734 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.441 -5.895 4.039 1.00 0.00 H new ATOM 300 N ILE A 19 2.035 -4.666 6.200 1.00 0.00 N ATOM 301 CA ILE A 19 0.984 -4.437 7.240 1.00 0.00 C ATOM 302 C ILE A 19 -0.160 -5.445 7.072 1.00 0.00 C ATOM 303 O ILE A 19 -0.496 -5.838 5.971 1.00 0.00 O ATOM 304 CB ILE A 19 0.485 -3.001 7.025 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.115 -2.851 5.619 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.656 -2.028 7.184 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.640 -2.983 5.690 1.00 0.00 C ATOM 0 H ILE A 19 1.681 -4.877 5.267 1.00 0.00 H new ATOM 0 HA ILE A 19 1.377 -4.570 8.248 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.285 -2.779 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.156 -1.882 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.295 -3.612 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.304 -1.008 7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.074 -2.122 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.425 -2.261 6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.061 -2.876 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.902 -3.962 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.043 -2.205 6.339 1.00 0.00 H new ATOM 319 N GLU A 20 -0.755 -5.863 8.161 1.00 0.00 N ATOM 320 CA GLU A 20 -1.879 -6.845 8.079 1.00 0.00 C ATOM 321 C GLU A 20 -3.195 -6.124 7.766 1.00 0.00 C ATOM 322 O GLU A 20 -3.346 -4.948 8.039 1.00 0.00 O ATOM 323 CB GLU A 20 -1.937 -7.512 9.459 1.00 0.00 C ATOM 324 CG GLU A 20 -2.192 -6.459 10.550 1.00 0.00 C ATOM 325 CD GLU A 20 -0.920 -6.246 11.377 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.663 -7.057 12.250 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.226 -5.276 11.120 1.00 0.00 O ATOM 0 H GLU A 20 -0.510 -5.566 9.105 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.726 -7.577 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.728 -8.261 9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.000 -8.033 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.502 -5.518 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.007 -6.783 11.197 1.00 0.00 H new ATOM 334 N ALA A 21 -4.145 -6.823 7.195 1.00 0.00 N ATOM 335 CA ALA A 21 -5.455 -6.185 6.860 1.00 0.00 C ATOM 336 C ALA A 21 -6.477 -7.248 6.452 1.00 0.00 C ATOM 337 O ALA A 21 -6.125 -8.347 6.066 1.00 0.00 O ATOM 338 CB ALA A 21 -5.154 -5.255 5.683 1.00 0.00 C ATOM 0 H ALA A 21 -4.069 -7.809 6.946 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.878 -5.648 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.069 -4.748 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.412 -4.515 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.766 -5.839 4.848 1.00 0.00 H new ATOM 344 N VAL A 22 -7.746 -6.925 6.534 1.00 0.00 N ATOM 345 CA VAL A 22 -8.810 -7.907 6.152 1.00 0.00 C ATOM 346 C VAL A 22 -8.578 -8.426 4.725 1.00 0.00 C ATOM 347 O VAL A 22 -8.764 -9.594 4.441 1.00 0.00 O ATOM 348 CB VAL A 22 -10.129 -7.122 6.243 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.097 -5.927 5.283 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.299 -8.039 5.876 1.00 0.00 C ATOM 0 H VAL A 22 -8.092 -6.019 6.851 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.814 -8.782 6.802 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.255 -6.758 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.036 -5.377 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.270 -5.269 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.963 -6.284 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.233 -7.481 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.167 -8.408 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.331 -8.882 6.566 1.00 0.00 H new ATOM 360 N ASP A 23 -8.165 -7.561 3.838 1.00 0.00 N ATOM 361 CA ASP A 23 -7.906 -7.978 2.429 1.00 0.00 C ATOM 362 C ASP A 23 -6.977 -6.963 1.766 1.00 0.00 C ATOM 363 O ASP A 23 -6.663 -5.938 2.342 1.00 0.00 O ATOM 364 CB ASP A 23 -9.277 -7.978 1.750 1.00 0.00 C ATOM 365 CG ASP A 23 -9.952 -9.334 1.963 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.686 -10.234 1.184 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.723 -9.449 2.902 1.00 0.00 O ATOM 0 H ASP A 23 -7.994 -6.574 4.031 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.428 -8.955 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.898 -7.182 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.167 -7.778 0.684 1.00 0.00 H new ATOM 372 N ALA A 24 -6.531 -7.235 0.564 1.00 0.00 N ATOM 373 CA ALA A 24 -5.616 -6.273 -0.123 1.00 0.00 C ATOM 374 C ALA A 24 -6.317 -4.924 -0.300 1.00 0.00 C ATOM 375 O ALA A 24 -5.704 -3.879 -0.198 1.00 0.00 O ATOM 376 CB ALA A 24 -5.298 -6.896 -1.482 1.00 0.00 C ATOM 0 H ALA A 24 -6.759 -8.075 0.033 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.707 -6.094 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.629 -6.238 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.816 -7.863 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.221 -7.033 -2.045 1.00 0.00 H new ATOM 382 N ALA A 25 -7.606 -4.941 -0.552 1.00 0.00 N ATOM 383 CA ALA A 25 -8.363 -3.664 -0.725 1.00 0.00 C ATOM 384 C ALA A 25 -8.143 -2.757 0.492 1.00 0.00 C ATOM 385 O ALA A 25 -7.852 -1.582 0.359 1.00 0.00 O ATOM 386 CB ALA A 25 -9.834 -4.074 -0.827 1.00 0.00 C ATOM 0 H ALA A 25 -8.166 -5.789 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.038 -3.109 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.451 -3.185 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.969 -4.736 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.131 -4.593 0.084 1.00 0.00 H new ATOM 392 N GLU A 26 -8.260 -3.307 1.674 1.00 0.00 N ATOM 393 CA GLU A 26 -8.038 -2.493 2.904 1.00 0.00 C ATOM 394 C GLU A 26 -6.568 -2.080 2.972 1.00 0.00 C ATOM 395 O GLU A 26 -6.248 -0.939 3.231 1.00 0.00 O ATOM 396 CB GLU A 26 -8.402 -3.413 4.076 1.00 0.00 C ATOM 397 CG GLU A 26 -9.254 -2.643 5.089 1.00 0.00 C ATOM 398 CD GLU A 26 -8.342 -1.868 6.040 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.481 -2.488 6.641 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.520 -0.665 6.151 1.00 0.00 O ATOM 0 H GLU A 26 -8.500 -4.285 1.839 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.637 -1.582 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.949 -4.283 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.496 -3.784 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.923 -1.957 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.881 -3.334 5.652 1.00 0.00 H new ATOM 407 N ALA A 27 -5.669 -3.002 2.719 1.00 0.00 N ATOM 408 CA ALA A 27 -4.209 -2.659 2.749 1.00 0.00 C ATOM 409 C ALA A 27 -3.931 -1.490 1.801 1.00 0.00 C ATOM 410 O ALA A 27 -3.152 -0.606 2.102 1.00 0.00 O ATOM 411 CB ALA A 27 -3.479 -3.914 2.261 1.00 0.00 C ATOM 0 H ALA A 27 -5.881 -3.974 2.494 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.881 -2.363 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.404 -3.732 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.704 -4.748 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.808 -4.157 1.251 1.00 0.00 H new ATOM 417 N GLU A 28 -4.572 -1.484 0.658 1.00 0.00 N ATOM 418 CA GLU A 28 -4.354 -0.375 -0.315 1.00 0.00 C ATOM 419 C GLU A 28 -4.788 0.958 0.300 1.00 0.00 C ATOM 420 O GLU A 28 -4.129 1.959 0.112 1.00 0.00 O ATOM 421 CB GLU A 28 -5.207 -0.714 -1.541 1.00 0.00 C ATOM 422 CG GLU A 28 -4.674 0.055 -2.759 1.00 0.00 C ATOM 423 CD GLU A 28 -5.844 0.447 -3.664 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.854 0.883 -3.137 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.709 0.306 -4.868 1.00 0.00 O ATOM 0 H GLU A 28 -5.235 -2.199 0.359 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.303 -0.275 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.178 -1.787 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.249 -0.451 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.137 0.946 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.964 -0.562 -3.310 1.00 0.00 H new ATOM 432 N LYS A 29 -5.879 0.987 1.040 1.00 0.00 N ATOM 433 CA LYS A 29 -6.308 2.279 1.658 1.00 0.00 C ATOM 434 C LYS A 29 -5.369 2.621 2.829 1.00 0.00 C ATOM 435 O LYS A 29 -5.038 3.776 3.055 1.00 0.00 O ATOM 436 CB LYS A 29 -7.795 2.090 2.059 1.00 0.00 C ATOM 437 CG LYS A 29 -7.971 1.415 3.435 1.00 0.00 C ATOM 438 CD LYS A 29 -8.533 2.423 4.444 1.00 0.00 C ATOM 439 CE LYS A 29 -7.563 3.599 4.603 1.00 0.00 C ATOM 440 NZ LYS A 29 -8.320 4.624 5.374 1.00 0.00 N ATOM 0 H LYS A 29 -6.477 0.185 1.237 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.239 3.131 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.288 3.062 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.296 1.489 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.644 0.562 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.013 1.031 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.504 2.785 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.690 1.937 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.659 3.296 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.250 3.986 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.720 5.460 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.171 4.899 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.598 4.230 6.295 1.00 0.00 H new ATOM 454 N ILE A 30 -4.895 1.625 3.541 1.00 0.00 N ATOM 455 CA ILE A 30 -3.944 1.890 4.658 1.00 0.00 C ATOM 456 C ILE A 30 -2.638 2.373 4.043 1.00 0.00 C ATOM 457 O ILE A 30 -2.000 3.288 4.530 1.00 0.00 O ATOM 458 CB ILE A 30 -3.750 0.546 5.368 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.088 0.074 5.944 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.741 0.705 6.508 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.946 -1.359 6.465 1.00 0.00 C ATOM 0 H ILE A 30 -5.128 0.643 3.394 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.298 2.643 5.362 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.378 -0.187 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.402 0.736 6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.861 0.118 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.606 -0.253 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.786 1.041 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.112 1.440 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.899 -1.693 6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.652 -2.016 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.185 -1.389 7.245 1.00 0.00 H new ATOM 473 N PHE A 31 -2.262 1.770 2.947 1.00 0.00 N ATOM 474 CA PHE A 31 -1.021 2.185 2.243 1.00 0.00 C ATOM 475 C PHE A 31 -1.278 3.526 1.548 1.00 0.00 C ATOM 476 O PHE A 31 -0.419 4.384 1.491 1.00 0.00 O ATOM 477 CB PHE A 31 -0.756 1.078 1.214 1.00 0.00 C ATOM 478 CG PHE A 31 -0.031 -0.077 1.869 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.119 0.155 2.636 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.507 -1.383 1.701 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.792 -0.917 3.231 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.167 -2.456 2.299 1.00 0.00 C ATOM 483 CZ PHE A 31 1.317 -2.222 3.062 1.00 0.00 C ATOM 0 H PHE A 31 -2.768 1.001 2.508 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.169 2.314 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.698 0.732 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.160 1.471 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.486 1.162 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.393 -1.563 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.679 -0.737 3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.201 -3.463 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.838 -3.049 3.521 1.00 0.00 H new ATOM 493 N LYS A 32 -2.469 3.706 1.027 1.00 0.00 N ATOM 494 CA LYS A 32 -2.815 4.983 0.338 1.00 0.00 C ATOM 495 C LYS A 32 -3.067 6.111 1.348 1.00 0.00 C ATOM 496 O LYS A 32 -3.272 7.248 0.967 1.00 0.00 O ATOM 497 CB LYS A 32 -4.084 4.694 -0.458 1.00 0.00 C ATOM 498 CG LYS A 32 -3.722 3.956 -1.748 1.00 0.00 C ATOM 499 CD LYS A 32 -5.004 3.504 -2.450 1.00 0.00 C ATOM 500 CE LYS A 32 -4.760 3.426 -3.958 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.080 3.738 -4.576 1.00 0.00 N ATOM 0 H LYS A 32 -3.219 3.016 1.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.998 5.315 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.770 4.092 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.599 5.626 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.145 4.608 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.094 3.094 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.315 2.531 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.813 4.203 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.998 4.139 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.410 2.436 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.995 3.704 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.784 3.039 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.384 4.689 -4.284 1.00 0.00 H new ATOM 515 N GLN A 33 -3.003 5.825 2.628 1.00 0.00 N ATOM 516 CA GLN A 33 -3.184 6.906 3.648 1.00 0.00 C ATOM 517 C GLN A 33 -1.787 7.198 4.163 1.00 0.00 C ATOM 518 O GLN A 33 -1.336 8.322 4.250 1.00 0.00 O ATOM 519 CB GLN A 33 -4.067 6.300 4.741 1.00 0.00 C ATOM 520 CG GLN A 33 -4.263 7.318 5.868 1.00 0.00 C ATOM 521 CD GLN A 33 -4.618 6.584 7.162 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.749 6.619 7.603 1.00 0.00 O ATOM 523 NE2 GLN A 33 -3.691 5.915 7.793 1.00 0.00 N ATOM 0 H GLN A 33 -2.834 4.894 3.008 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.644 7.823 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.033 6.013 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.607 5.393 5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.354 7.903 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.056 8.019 5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.741 5.886 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.917 5.422 8.657 1.00 0.00 H new ATOM 532 N TYR A 34 -1.087 6.134 4.424 1.00 0.00 N ATOM 533 CA TYR A 34 0.333 6.191 4.855 1.00 0.00 C ATOM 534 C TYR A 34 1.129 7.027 3.830 1.00 0.00 C ATOM 535 O TYR A 34 1.957 7.847 4.179 1.00 0.00 O ATOM 536 CB TYR A 34 0.710 4.695 4.813 1.00 0.00 C ATOM 537 CG TYR A 34 2.202 4.485 4.631 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.085 4.794 5.672 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.694 3.984 3.420 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.461 4.600 5.503 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.070 3.789 3.252 1.00 0.00 C ATOM 542 CZ TYR A 34 4.953 4.098 4.293 1.00 0.00 C ATOM 543 OH TYR A 34 6.311 3.906 4.128 1.00 0.00 O ATOM 0 H TYR A 34 -1.459 5.187 4.353 1.00 0.00 H new ATOM 0 HA TYR A 34 0.527 6.651 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.387 4.215 5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.174 4.210 3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.705 5.182 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.013 3.748 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.143 4.838 6.306 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.450 3.400 2.319 1.00 0.00 H new ATOM 0 HH TYR A 34 6.485 3.551 3.231 1.00 0.00 H new ATOM 553 N ALA A 35 0.856 6.816 2.566 1.00 0.00 N ATOM 554 CA ALA A 35 1.558 7.581 1.489 1.00 0.00 C ATOM 555 C ALA A 35 1.204 9.067 1.582 1.00 0.00 C ATOM 556 O ALA A 35 2.071 9.922 1.614 1.00 0.00 O ATOM 557 CB ALA A 35 1.026 7.003 0.176 1.00 0.00 C ATOM 0 H ALA A 35 0.170 6.140 2.231 1.00 0.00 H new ATOM 0 HA ALA A 35 2.642 7.496 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.496 7.515 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.257 5.939 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.054 7.143 0.128 1.00 0.00 H new ATOM 563 N ASN A 36 -0.068 9.379 1.620 1.00 0.00 N ATOM 564 CA ASN A 36 -0.502 10.811 1.704 1.00 0.00 C ATOM 565 C ASN A 36 0.124 11.495 2.922 1.00 0.00 C ATOM 566 O ASN A 36 0.682 12.571 2.823 1.00 0.00 O ATOM 567 CB ASN A 36 -2.020 10.761 1.851 1.00 0.00 C ATOM 568 CG ASN A 36 -2.674 10.775 0.466 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.661 11.452 0.256 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.164 10.051 -0.493 1.00 0.00 N ATOM 0 H ASN A 36 -0.829 8.701 1.596 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.191 11.379 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.313 9.862 2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.367 11.613 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.594 10.054 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.336 9.483 -0.317 1.00 0.00 H new ATOM 577 N ASP A 37 0.030 10.874 4.072 1.00 0.00 N ATOM 578 CA ASP A 37 0.615 11.480 5.312 1.00 0.00 C ATOM 579 C ASP A 37 2.099 11.807 5.116 1.00 0.00 C ATOM 580 O ASP A 37 2.653 12.653 5.791 1.00 0.00 O ATOM 581 CB ASP A 37 0.443 10.418 6.399 1.00 0.00 C ATOM 582 CG ASP A 37 0.774 11.024 7.764 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.338 12.135 8.019 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.458 10.367 8.532 1.00 0.00 O ATOM 0 H ASP A 37 -0.427 9.972 4.207 1.00 0.00 H new ATOM 0 HA ASP A 37 0.122 12.417 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.580 10.041 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.096 9.569 6.199 1.00 0.00 H new ATOM 589 N ASN A 38 2.737 11.137 4.196 1.00 0.00 N ATOM 590 CA ASN A 38 4.177 11.387 3.939 1.00 0.00 C ATOM 591 C ASN A 38 4.353 12.242 2.679 1.00 0.00 C ATOM 592 O ASN A 38 5.315 12.976 2.548 1.00 0.00 O ATOM 593 CB ASN A 38 4.790 10.001 3.744 1.00 0.00 C ATOM 594 CG ASN A 38 5.122 9.393 5.108 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.526 8.415 5.512 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.056 9.935 5.841 1.00 0.00 N ATOM 0 H ASN A 38 2.314 10.420 3.607 1.00 0.00 H new ATOM 0 HA ASN A 38 4.654 11.931 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.095 9.357 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.692 10.073 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.285 9.537 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.557 10.756 5.503 1.00 0.00 H new ATOM 603 N GLY A 39 3.429 12.151 1.755 1.00 0.00 N ATOM 604 CA GLY A 39 3.534 12.956 0.500 1.00 0.00 C ATOM 605 C GLY A 39 3.772 12.026 -0.692 1.00 0.00 C ATOM 606 O GLY A 39 4.401 12.398 -1.664 1.00 0.00 O ATOM 0 H GLY A 39 2.605 11.553 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.621 13.531 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.351 13.672 0.583 1.00 0.00 H new ATOM 610 N ILE A 40 3.271 10.819 -0.622 1.00 0.00 N ATOM 611 CA ILE A 40 3.458 9.852 -1.743 1.00 0.00 C ATOM 612 C ILE A 40 2.225 9.899 -2.654 1.00 0.00 C ATOM 613 O ILE A 40 1.161 9.418 -2.310 1.00 0.00 O ATOM 614 CB ILE A 40 3.648 8.498 -1.023 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.126 8.327 -0.683 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.201 7.298 -1.867 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.513 9.367 0.360 1.00 0.00 C ATOM 0 H ILE A 40 2.737 10.461 0.170 1.00 0.00 H new ATOM 0 HA ILE A 40 4.305 10.059 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 40 3.024 8.519 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.312 7.323 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.736 8.446 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.361 6.378 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.143 7.397 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.782 7.265 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.568 9.255 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.339 10.366 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.909 9.225 1.256 1.00 0.00 H new ATOM 629 N ASP A 41 2.372 10.490 -3.807 1.00 0.00 N ATOM 630 CA ASP A 41 1.220 10.592 -4.758 1.00 0.00 C ATOM 631 C ASP A 41 1.715 10.611 -6.210 1.00 0.00 C ATOM 632 O ASP A 41 2.245 11.599 -6.684 1.00 0.00 O ATOM 633 CB ASP A 41 0.517 11.908 -4.405 1.00 0.00 C ATOM 634 CG ASP A 41 1.499 13.078 -4.518 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.269 13.273 -3.592 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.464 13.759 -5.530 1.00 0.00 O ATOM 0 H ASP A 41 3.242 10.909 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 41 0.547 9.739 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.329 12.068 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.117 11.855 -3.392 1.00 0.00 H new ATOM 641 N GLY A 42 1.541 9.523 -6.917 1.00 0.00 N ATOM 642 CA GLY A 42 1.994 9.461 -8.338 1.00 0.00 C ATOM 643 C GLY A 42 1.292 8.302 -9.056 1.00 0.00 C ATOM 644 O GLY A 42 0.624 8.496 -10.053 1.00 0.00 O ATOM 0 H GLY A 42 1.102 8.671 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.771 10.402 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.075 9.325 -8.379 1.00 0.00 H new ATOM 648 N GLU A 43 1.446 7.101 -8.557 1.00 0.00 N ATOM 649 CA GLU A 43 0.795 5.920 -9.211 1.00 0.00 C ATOM 650 C GLU A 43 0.435 4.864 -8.160 1.00 0.00 C ATOM 651 O GLU A 43 0.809 4.982 -7.017 1.00 0.00 O ATOM 652 CB GLU A 43 1.854 5.377 -10.174 1.00 0.00 C ATOM 653 CG GLU A 43 1.217 4.349 -11.111 1.00 0.00 C ATOM 654 CD GLU A 43 2.029 4.266 -12.405 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.771 5.060 -13.294 1.00 0.00 O ATOM 656 OE2 GLU A 43 2.895 3.411 -12.484 1.00 0.00 O ATOM 0 H GLU A 43 1.994 6.885 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.130 6.185 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.286 6.193 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.668 4.918 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.183 3.373 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.188 4.632 -11.332 1.00 0.00 H new ATOM 663 N TRP A 44 -0.287 3.838 -8.547 1.00 0.00 N ATOM 664 CA TRP A 44 -0.678 2.757 -7.580 1.00 0.00 C ATOM 665 C TRP A 44 -0.991 1.471 -8.339 1.00 0.00 C ATOM 666 O TRP A 44 -1.772 1.466 -9.272 1.00 0.00 O ATOM 667 CB TRP A 44 -1.946 3.262 -6.883 1.00 0.00 C ATOM 668 CG TRP A 44 -1.572 4.078 -5.700 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.476 5.428 -5.663 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.250 3.605 -4.373 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.085 5.807 -4.392 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.938 4.716 -3.558 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.195 2.322 -3.810 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.577 4.559 -2.223 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.835 2.159 -2.464 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.524 3.276 -1.674 1.00 0.00 C ATOM 0 H TRP A 44 -0.626 3.701 -9.499 1.00 0.00 H new ATOM 0 HA TRP A 44 0.121 2.544 -6.870 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.541 3.858 -7.575 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.564 2.419 -6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.672 6.097 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.925 6.773 -4.106 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.430 1.458 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.340 5.421 -1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.797 1.169 -2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.243 3.143 -0.640 1.00 0.00 H new ATOM 687 N THR A 45 -0.391 0.380 -7.942 1.00 0.00 N ATOM 688 CA THR A 45 -0.656 -0.919 -8.635 1.00 0.00 C ATOM 689 C THR A 45 -0.600 -2.051 -7.624 1.00 0.00 C ATOM 690 O THR A 45 0.329 -2.147 -6.847 1.00 0.00 O ATOM 691 CB THR A 45 0.457 -1.104 -9.680 1.00 0.00 C ATOM 692 OG1 THR A 45 1.663 -1.482 -9.031 1.00 0.00 O ATOM 693 CG2 THR A 45 0.683 0.193 -10.456 1.00 0.00 C ATOM 0 H THR A 45 0.271 0.330 -7.168 1.00 0.00 H new ATOM 0 HA THR A 45 -1.639 -0.922 -9.106 1.00 0.00 H new ATOM 0 HB THR A 45 0.154 -1.884 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.370 -1.601 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.474 0.044 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.238 0.477 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.974 0.984 -9.765 1.00 0.00 H new ATOM 701 N TYR A 46 -1.575 -2.913 -7.638 1.00 0.00 N ATOM 702 CA TYR A 46 -1.574 -4.053 -6.679 1.00 0.00 C ATOM 703 C TYR A 46 -1.018 -5.305 -7.369 1.00 0.00 C ATOM 704 O TYR A 46 -1.486 -5.706 -8.418 1.00 0.00 O ATOM 705 CB TYR A 46 -3.043 -4.250 -6.268 1.00 0.00 C ATOM 706 CG TYR A 46 -3.175 -5.519 -5.450 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.437 -5.667 -4.271 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.013 -6.551 -5.886 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.541 -6.846 -3.524 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.115 -7.730 -5.140 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.379 -7.878 -3.959 1.00 0.00 C ATOM 712 OH TYR A 46 -3.480 -9.041 -3.224 1.00 0.00 O ATOM 0 H TYR A 46 -2.374 -2.879 -8.272 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.948 -3.864 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.387 -3.394 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.675 -4.309 -7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.787 -4.872 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.581 -6.438 -6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.974 -6.959 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.762 -8.527 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.105 -9.654 -3.665 1.00 0.00 H new ATOM 722 N ASP A 47 -0.035 -5.930 -6.772 1.00 0.00 N ATOM 723 CA ASP A 47 0.543 -7.165 -7.372 1.00 0.00 C ATOM 724 C ASP A 47 -0.118 -8.392 -6.740 1.00 0.00 C ATOM 725 O ASP A 47 0.244 -8.812 -5.658 1.00 0.00 O ATOM 726 CB ASP A 47 2.034 -7.120 -7.035 1.00 0.00 C ATOM 727 CG ASP A 47 2.673 -5.899 -7.702 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.193 -4.801 -7.469 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.630 -6.083 -8.436 1.00 0.00 O ATOM 0 H ASP A 47 0.391 -5.636 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 47 0.382 -7.224 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.172 -7.071 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.523 -8.032 -7.378 1.00 0.00 H new ATOM 734 N ASP A 48 -1.087 -8.964 -7.410 1.00 0.00 N ATOM 735 CA ASP A 48 -1.787 -10.166 -6.853 1.00 0.00 C ATOM 736 C ASP A 48 -0.872 -11.403 -6.850 1.00 0.00 C ATOM 737 O ASP A 48 -1.237 -12.444 -6.336 1.00 0.00 O ATOM 738 CB ASP A 48 -2.995 -10.392 -7.769 1.00 0.00 C ATOM 739 CG ASP A 48 -2.523 -10.612 -9.210 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.046 -9.662 -9.808 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.646 -11.727 -9.688 1.00 0.00 O ATOM 0 H ASP A 48 -1.425 -8.651 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.081 -10.006 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.564 -11.256 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.663 -9.532 -7.723 1.00 0.00 H new ATOM 746 N ALA A 49 0.310 -11.299 -7.408 1.00 0.00 N ATOM 747 CA ALA A 49 1.244 -12.462 -7.426 1.00 0.00 C ATOM 748 C ALA A 49 2.075 -12.469 -6.143 1.00 0.00 C ATOM 749 O ALA A 49 2.479 -13.509 -5.659 1.00 0.00 O ATOM 750 CB ALA A 49 2.136 -12.235 -8.646 1.00 0.00 C ATOM 0 H ALA A 49 0.667 -10.453 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 49 0.725 -13.419 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.853 -13.051 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.521 -12.200 -9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.671 -11.292 -8.535 1.00 0.00 H new ATOM 756 N THR A 50 2.319 -11.310 -5.583 1.00 0.00 N ATOM 757 CA THR A 50 3.108 -11.231 -4.322 1.00 0.00 C ATOM 758 C THR A 50 2.351 -10.402 -3.275 1.00 0.00 C ATOM 759 O THR A 50 2.881 -10.087 -2.228 1.00 0.00 O ATOM 760 CB THR A 50 4.414 -10.538 -4.712 1.00 0.00 C ATOM 761 OG1 THR A 50 4.127 -9.260 -5.259 1.00 0.00 O ATOM 762 CG2 THR A 50 5.150 -11.387 -5.748 1.00 0.00 C ATOM 0 H THR A 50 2.002 -10.412 -5.950 1.00 0.00 H new ATOM 0 HA THR A 50 3.284 -12.213 -3.884 1.00 0.00 H new ATOM 0 HB THR A 50 5.042 -10.420 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.964 -8.815 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.081 -10.894 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.371 -12.367 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.524 -11.506 -6.632 1.00 0.00 H new ATOM 770 N LYS A 51 1.112 -10.040 -3.551 1.00 0.00 N ATOM 771 CA LYS A 51 0.315 -9.225 -2.574 1.00 0.00 C ATOM 772 C LYS A 51 1.073 -7.947 -2.207 1.00 0.00 C ATOM 773 O LYS A 51 1.093 -7.534 -1.062 1.00 0.00 O ATOM 774 CB LYS A 51 0.128 -10.117 -1.339 1.00 0.00 C ATOM 775 CG LYS A 51 -0.581 -11.419 -1.737 1.00 0.00 C ATOM 776 CD LYS A 51 -2.058 -11.346 -1.343 1.00 0.00 C ATOM 777 CE LYS A 51 -2.647 -12.758 -1.314 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.549 -12.775 -0.129 1.00 0.00 N ATOM 0 H LYS A 51 0.621 -10.276 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.644 -8.918 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.096 -10.342 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.456 -9.590 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.489 -11.580 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.106 -12.268 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.162 -10.877 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.605 -10.726 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.195 -12.976 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.864 -13.511 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.991 -13.712 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.998 -12.571 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.289 -12.053 -0.245 1.00 0.00 H new ATOM 792 N THR A 52 1.702 -7.324 -3.172 1.00 0.00 N ATOM 793 CA THR A 52 2.467 -6.072 -2.885 1.00 0.00 C ATOM 794 C THR A 52 1.996 -4.930 -3.791 1.00 0.00 C ATOM 795 O THR A 52 1.990 -5.050 -5.000 1.00 0.00 O ATOM 796 CB THR A 52 3.924 -6.425 -3.186 1.00 0.00 C ATOM 797 OG1 THR A 52 4.305 -7.559 -2.419 1.00 0.00 O ATOM 798 CG2 THR A 52 4.821 -5.240 -2.827 1.00 0.00 C ATOM 0 H THR A 52 1.719 -7.628 -4.145 1.00 0.00 H new ATOM 0 HA THR A 52 2.327 -5.734 -1.858 1.00 0.00 H new ATOM 0 HB THR A 52 4.031 -6.652 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.238 -7.787 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.860 -5.492 -3.042 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.529 -4.371 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.715 -5.011 -1.767 1.00 0.00 H new ATOM 806 N PHE A 53 1.611 -3.817 -3.212 1.00 0.00 N ATOM 807 CA PHE A 53 1.152 -2.660 -4.040 1.00 0.00 C ATOM 808 C PHE A 53 2.375 -1.904 -4.581 1.00 0.00 C ATOM 809 O PHE A 53 3.498 -2.323 -4.368 1.00 0.00 O ATOM 810 CB PHE A 53 0.329 -1.790 -3.085 1.00 0.00 C ATOM 811 CG PHE A 53 -0.952 -2.511 -2.724 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.952 -3.463 -1.694 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.138 -2.236 -3.420 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.137 -4.136 -1.360 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.319 -2.913 -3.085 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.318 -3.859 -2.056 1.00 0.00 C ATOM 0 H PHE A 53 1.595 -3.662 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 53 0.559 -2.960 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.904 -1.575 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.101 -0.833 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.040 -3.678 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.142 -1.503 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.137 -4.868 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.232 -2.703 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.230 -4.377 -1.798 1.00 0.00 H new ATOM 826 N THR A 54 2.184 -0.800 -5.275 1.00 0.00 N ATOM 827 CA THR A 54 3.353 -0.046 -5.811 1.00 0.00 C ATOM 828 C THR A 54 2.933 1.396 -6.018 1.00 0.00 C ATOM 829 O THR A 54 2.175 1.706 -6.919 1.00 0.00 O ATOM 830 CB THR A 54 3.709 -0.702 -7.152 1.00 0.00 C ATOM 831 OG1 THR A 54 3.407 -2.092 -7.110 1.00 0.00 O ATOM 832 CG2 THR A 54 5.201 -0.515 -7.427 1.00 0.00 C ATOM 0 H THR A 54 1.272 -0.397 -5.488 1.00 0.00 H new ATOM 0 HA THR A 54 4.210 -0.064 -5.138 1.00 0.00 H new ATOM 0 HB THR A 54 3.126 -0.234 -7.945 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.708 -2.295 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.457 -0.980 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.433 0.549 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.779 -0.981 -6.629 1.00 0.00 H new ATOM 840 N VAL A 55 3.392 2.274 -5.175 1.00 0.00 N ATOM 841 CA VAL A 55 2.988 3.699 -5.303 1.00 0.00 C ATOM 842 C VAL A 55 4.194 4.588 -5.596 1.00 0.00 C ATOM 843 O VAL A 55 5.233 4.481 -4.971 1.00 0.00 O ATOM 844 CB VAL A 55 2.323 4.051 -3.962 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.273 3.748 -2.802 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.941 5.535 -3.938 1.00 0.00 C ATOM 0 H VAL A 55 4.028 2.068 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 55 2.304 3.859 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 55 1.423 3.445 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.789 4.002 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.525 2.688 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.183 4.338 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.471 5.774 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.837 6.143 -4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.243 5.744 -4.749 1.00 0.00 H new ATOM 856 N THR A 56 4.048 5.469 -6.551 1.00 0.00 N ATOM 857 CA THR A 56 5.166 6.384 -6.907 1.00 0.00 C ATOM 858 C THR A 56 4.698 7.840 -6.815 1.00 0.00 C ATOM 859 O THR A 56 3.621 8.121 -6.326 1.00 0.00 O ATOM 860 CB THR A 56 5.577 5.978 -8.342 1.00 0.00 C ATOM 861 OG1 THR A 56 6.945 6.324 -8.543 1.00 0.00 O ATOM 862 CG2 THR A 56 4.712 6.660 -9.413 1.00 0.00 C ATOM 0 H THR A 56 3.198 5.592 -7.100 1.00 0.00 H new ATOM 0 HA THR A 56 6.017 6.306 -6.231 1.00 0.00 H new ATOM 0 HB THR A 56 5.429 4.903 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.062 6.682 -9.448 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.040 6.342 -10.403 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.668 6.380 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.813 7.742 -9.327 1.00 0.00 H new ATOM 870 N GLU A 57 5.499 8.752 -7.287 1.00 0.00 N ATOM 871 CA GLU A 57 5.109 10.192 -7.238 1.00 0.00 C ATOM 872 C GLU A 57 5.364 10.855 -8.594 1.00 0.00 C ATOM 873 O GLU A 57 4.698 11.835 -8.887 1.00 0.00 O ATOM 874 CB GLU A 57 6.005 10.808 -6.162 1.00 0.00 C ATOM 875 CG GLU A 57 5.373 12.105 -5.649 1.00 0.00 C ATOM 876 CD GLU A 57 5.691 13.246 -6.617 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.840 13.358 -7.012 1.00 0.00 O ATOM 878 OE2 GLU A 57 4.781 13.988 -6.946 1.00 0.00 O ATOM 879 OXT GLU A 57 6.220 10.373 -9.316 1.00 0.00 O ATOM 0 H GLU A 57 6.410 8.564 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 57 4.051 10.327 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.138 10.106 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.995 11.011 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.294 11.984 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.755 12.340 -4.655 1.00 0.00 H new