USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 -82:sc= 0.524 USER MOD Set 1.2: A 52 THR OG1 : rot 110:sc= 0.326 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.591 USER MOD Set 2.2: A 54 THR OG1 : rot 117:sc= -0.0361 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0657 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 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 9 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -12:sc= 1.77 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 138:sc= -0.132 (180deg=-0.581) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.312 USER MOD Single : A 36 ASN : amide:sc= 0.696 K(o=0.7,f=-0.46) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -170:sc= -0.741 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.434 -16.177 5.609 1.00 0.00 N ATOM 2 CA MET A 1 -1.396 -14.786 6.143 1.00 0.00 C ATOM 3 C MET A 1 -1.815 -13.790 5.058 1.00 0.00 C ATOM 4 O MET A 1 -2.004 -14.152 3.913 1.00 0.00 O ATOM 5 CB MET A 1 0.061 -14.556 6.548 1.00 0.00 C ATOM 6 CG MET A 1 0.254 -14.966 8.009 1.00 0.00 C ATOM 7 SD MET A 1 -0.325 -13.636 9.092 1.00 0.00 S ATOM 8 CE MET A 1 -1.088 -14.685 10.352 1.00 0.00 C ATOM 0 H1 MET A 1 -0.566 -16.678 5.885 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.260 -16.676 5.998 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.503 -16.149 4.572 1.00 0.00 H new ATOM 0 HA MET A 1 -2.079 -14.648 6.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.724 -15.136 5.906 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.325 -13.507 6.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.297 -15.883 8.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.306 -15.175 8.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.518 -14.060 11.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.874 -15.288 9.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.333 -15.341 10.786 1.00 0.00 H new ATOM 20 N THR A 2 -1.960 -12.539 5.415 1.00 0.00 N ATOM 21 CA THR A 2 -2.367 -11.510 4.411 1.00 0.00 C ATOM 22 C THR A 2 -1.530 -10.240 4.586 1.00 0.00 C ATOM 23 O THR A 2 -2.042 -9.138 4.526 1.00 0.00 O ATOM 24 CB THR A 2 -3.843 -11.227 4.707 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.572 -12.445 4.665 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.403 -10.258 3.664 1.00 0.00 C ATOM 0 H THR A 2 -1.814 -12.185 6.360 1.00 0.00 H new ATOM 0 HA THR A 2 -2.216 -11.850 3.387 1.00 0.00 H new ATOM 0 HB THR A 2 -3.935 -10.780 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.517 -12.268 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.453 -10.060 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.843 -9.324 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.313 -10.700 2.672 1.00 0.00 H new ATOM 34 N THR A 3 -0.247 -10.388 4.800 1.00 0.00 N ATOM 35 CA THR A 3 0.631 -9.191 4.976 1.00 0.00 C ATOM 36 C THR A 3 0.835 -8.489 3.633 1.00 0.00 C ATOM 37 O THR A 3 1.665 -8.885 2.837 1.00 0.00 O ATOM 38 CB THR A 3 1.961 -9.737 5.502 1.00 0.00 C ATOM 39 OG1 THR A 3 1.725 -10.510 6.670 1.00 0.00 O ATOM 40 CG2 THR A 3 2.895 -8.571 5.838 1.00 0.00 C ATOM 0 H THR A 3 0.231 -11.287 4.861 1.00 0.00 H new ATOM 0 HA THR A 3 0.197 -8.460 5.659 1.00 0.00 H new ATOM 0 HB THR A 3 2.425 -10.363 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.575 -10.862 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.842 -8.960 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.075 -7.979 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.434 -7.943 6.600 1.00 0.00 H new ATOM 48 N PHE A 4 0.080 -7.451 3.378 1.00 0.00 N ATOM 49 CA PHE A 4 0.222 -6.716 2.085 1.00 0.00 C ATOM 50 C PHE A 4 1.471 -5.839 2.108 1.00 0.00 C ATOM 51 O PHE A 4 1.623 -4.986 2.961 1.00 0.00 O ATOM 52 CB PHE A 4 -1.034 -5.851 1.974 1.00 0.00 C ATOM 53 CG PHE A 4 -2.195 -6.716 1.553 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.218 -7.282 0.274 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.244 -6.957 2.444 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.291 -8.091 -0.113 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.316 -7.766 2.058 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.339 -8.336 0.780 1.00 0.00 C ATOM 0 H PHE A 4 -0.629 -7.080 4.010 1.00 0.00 H new ATOM 0 HA PHE A 4 0.325 -7.395 1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.248 -5.375 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.878 -5.053 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.407 -7.094 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.226 -6.518 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.310 -8.526 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.127 -7.952 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.166 -8.965 0.484 1.00 0.00 H new ATOM 68 N LYS A 5 2.362 -6.039 1.172 1.00 0.00 N ATOM 69 CA LYS A 5 3.603 -5.215 1.127 1.00 0.00 C ATOM 70 C LYS A 5 3.384 -4.001 0.229 1.00 0.00 C ATOM 71 O LYS A 5 2.391 -3.909 -0.469 1.00 0.00 O ATOM 72 CB LYS A 5 4.675 -6.130 0.537 1.00 0.00 C ATOM 73 CG LYS A 5 5.141 -7.126 1.601 1.00 0.00 C ATOM 74 CD LYS A 5 4.354 -8.430 1.458 1.00 0.00 C ATOM 75 CE LYS A 5 4.594 -9.308 2.688 1.00 0.00 C ATOM 76 NZ LYS A 5 5.850 -10.051 2.390 1.00 0.00 N ATOM 0 H LYS A 5 2.282 -6.740 0.435 1.00 0.00 H new ATOM 0 HA LYS A 5 3.889 -4.844 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.277 -6.664 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.519 -5.538 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.208 -7.319 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.993 -6.707 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.290 -8.216 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.664 -8.957 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.697 -8.705 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.761 -9.991 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.081 -10.676 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.720 -10.621 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.627 -9.375 2.243 1.00 0.00 H new ATOM 90 N LEU A 6 4.302 -3.071 0.239 1.00 0.00 N ATOM 91 CA LEU A 6 4.148 -1.861 -0.617 1.00 0.00 C ATOM 92 C LEU A 6 5.521 -1.332 -1.023 1.00 0.00 C ATOM 93 O LEU A 6 6.214 -0.718 -0.236 1.00 0.00 O ATOM 94 CB LEU A 6 3.406 -0.843 0.258 1.00 0.00 C ATOM 95 CG LEU A 6 3.216 0.476 -0.508 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.958 0.392 -1.374 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.072 1.633 0.488 1.00 0.00 C ATOM 0 H LEU A 6 5.151 -3.098 0.803 1.00 0.00 H new ATOM 0 HA LEU A 6 3.604 -2.069 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.436 -1.244 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.968 -0.662 1.174 1.00 0.00 H new ATOM 0 HG LEU A 6 4.084 0.649 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.826 1.329 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.060 -0.427 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.090 0.215 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.937 2.567 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.206 1.458 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.970 1.698 1.103 1.00 0.00 H new ATOM 109 N ILE A 7 5.902 -1.550 -2.251 1.00 0.00 N ATOM 110 CA ILE A 7 7.214 -1.040 -2.735 1.00 0.00 C ATOM 111 C ILE A 7 6.993 0.352 -3.320 1.00 0.00 C ATOM 112 O ILE A 7 6.173 0.531 -4.205 1.00 0.00 O ATOM 113 CB ILE A 7 7.653 -2.033 -3.818 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.918 -3.396 -3.174 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.933 -1.533 -4.498 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.881 -4.487 -4.247 1.00 0.00 C ATOM 0 H ILE A 7 5.357 -2.063 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 7 7.970 -0.960 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 7 6.864 -2.124 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.889 -3.393 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.169 -3.599 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.238 -2.244 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.746 -0.562 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.726 -1.438 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.070 -5.457 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.900 -4.496 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.646 -4.286 -4.997 1.00 0.00 H new ATOM 128 N ILE A 8 7.688 1.345 -2.829 1.00 0.00 N ATOM 129 CA ILE A 8 7.468 2.714 -3.371 1.00 0.00 C ATOM 130 C ILE A 8 8.541 3.025 -4.422 1.00 0.00 C ATOM 131 O ILE A 8 9.724 2.980 -4.136 1.00 0.00 O ATOM 132 CB ILE A 8 7.563 3.714 -2.201 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.489 3.445 -1.134 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.303 5.123 -2.748 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.743 2.128 -0.421 1.00 0.00 C ATOM 0 H ILE A 8 8.386 1.268 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 8 6.488 2.788 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 8 8.551 3.613 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.481 4.259 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.505 3.425 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.366 5.846 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.049 5.363 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.309 5.163 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.968 1.964 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.726 1.313 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.717 2.160 0.066 1.00 0.00 H new ATOM 147 N ASN A 9 8.140 3.349 -5.624 1.00 0.00 N ATOM 148 CA ASN A 9 9.148 3.672 -6.684 1.00 0.00 C ATOM 149 C ASN A 9 9.575 5.138 -6.539 1.00 0.00 C ATOM 150 O ASN A 9 9.430 5.731 -5.486 1.00 0.00 O ATOM 151 CB ASN A 9 8.465 3.462 -8.056 1.00 0.00 C ATOM 152 CG ASN A 9 7.498 2.268 -8.040 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.791 1.239 -7.461 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.349 2.367 -8.658 1.00 0.00 N ATOM 0 H ASN A 9 7.165 3.404 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 9 10.028 3.036 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.921 4.365 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.226 3.302 -8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.699 1.581 -8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.104 3.230 -9.143 1.00 0.00 H new ATOM 161 N GLY A 10 10.087 5.732 -7.592 1.00 0.00 N ATOM 162 CA GLY A 10 10.510 7.167 -7.530 1.00 0.00 C ATOM 163 C GLY A 10 11.488 7.384 -6.370 1.00 0.00 C ATOM 164 O GLY A 10 12.410 6.616 -6.172 1.00 0.00 O ATOM 0 H GLY A 10 10.230 5.281 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.981 7.455 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.636 7.806 -7.402 1.00 0.00 H new ATOM 168 N LYS A 11 11.285 8.426 -5.605 1.00 0.00 N ATOM 169 CA LYS A 11 12.192 8.703 -4.451 1.00 0.00 C ATOM 170 C LYS A 11 11.401 9.299 -3.280 1.00 0.00 C ATOM 171 O LYS A 11 11.945 10.005 -2.452 1.00 0.00 O ATOM 172 CB LYS A 11 13.222 9.709 -4.978 1.00 0.00 C ATOM 173 CG LYS A 11 12.515 10.970 -5.486 1.00 0.00 C ATOM 174 CD LYS A 11 13.557 11.975 -5.981 1.00 0.00 C ATOM 175 CE LYS A 11 13.883 11.690 -7.449 1.00 0.00 C ATOM 176 NZ LYS A 11 14.098 13.031 -8.060 1.00 0.00 N ATOM 0 H LYS A 11 10.528 9.098 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 11 12.668 7.796 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.924 9.970 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.802 9.259 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.828 10.715 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.918 11.412 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.178 12.991 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.461 11.905 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.772 11.066 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.067 11.159 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.327 12.920 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.233 13.600 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.885 13.510 -7.577 1.00 0.00 H new ATOM 190 N THR A 12 10.125 9.015 -3.205 1.00 0.00 N ATOM 191 CA THR A 12 9.296 9.562 -2.086 1.00 0.00 C ATOM 192 C THR A 12 9.812 9.022 -0.753 1.00 0.00 C ATOM 193 O THR A 12 10.413 9.739 0.025 1.00 0.00 O ATOM 194 CB THR A 12 7.847 9.092 -2.342 1.00 0.00 C ATOM 195 OG1 THR A 12 7.734 8.487 -3.627 1.00 0.00 O ATOM 196 CG2 THR A 12 6.901 10.294 -2.268 1.00 0.00 C ATOM 0 H THR A 12 9.621 8.428 -3.870 1.00 0.00 H new ATOM 0 HA THR A 12 9.345 10.650 -2.042 1.00 0.00 H new ATOM 0 HB THR A 12 7.581 8.358 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.810 8.194 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.878 9.964 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.966 10.748 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.184 11.027 -3.023 1.00 0.00 H new ATOM 204 N LEU A 13 9.589 7.763 -0.491 1.00 0.00 N ATOM 205 CA LEU A 13 10.073 7.165 0.790 1.00 0.00 C ATOM 206 C LEU A 13 10.861 5.869 0.522 1.00 0.00 C ATOM 207 O LEU A 13 11.748 5.514 1.273 1.00 0.00 O ATOM 208 CB LEU A 13 8.806 6.910 1.627 1.00 0.00 C ATOM 209 CG LEU A 13 7.892 5.895 0.938 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.373 4.461 1.218 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.469 6.066 1.478 1.00 0.00 C ATOM 0 H LEU A 13 9.092 7.121 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 13 10.762 7.823 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.085 6.542 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.269 7.847 1.776 1.00 0.00 H new ATOM 0 HG LEU A 13 7.913 6.067 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.712 3.752 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.388 4.337 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.361 4.276 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.807 5.347 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.465 5.895 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.120 7.078 1.270 1.00 0.00 H new ATOM 223 N LYS A 14 10.549 5.166 -0.547 1.00 0.00 N ATOM 224 CA LYS A 14 11.278 3.898 -0.881 1.00 0.00 C ATOM 225 C LYS A 14 11.253 2.920 0.298 1.00 0.00 C ATOM 226 O LYS A 14 12.015 3.049 1.239 1.00 0.00 O ATOM 227 CB LYS A 14 12.716 4.325 -1.195 1.00 0.00 C ATOM 228 CG LYS A 14 12.802 4.797 -2.648 1.00 0.00 C ATOM 229 CD LYS A 14 12.980 3.587 -3.569 1.00 0.00 C ATOM 230 CE LYS A 14 14.471 3.362 -3.845 1.00 0.00 C ATOM 231 NZ LYS A 14 14.684 3.847 -5.237 1.00 0.00 N ATOM 0 H LYS A 14 9.814 5.421 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 14 10.813 3.381 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.024 5.126 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.398 3.491 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.898 5.343 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.638 5.485 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.548 2.699 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.447 3.750 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.091 3.912 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.735 2.309 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.683 3.725 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.087 3.301 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.431 4.854 -5.296 1.00 0.00 H new ATOM 245 N GLY A 15 10.385 1.940 0.248 1.00 0.00 N ATOM 246 CA GLY A 15 10.311 0.948 1.363 1.00 0.00 C ATOM 247 C GLY A 15 9.260 -0.122 1.051 1.00 0.00 C ATOM 248 O GLY A 15 8.614 -0.096 0.017 1.00 0.00 O ATOM 0 H GLY A 15 9.726 1.785 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.285 0.480 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.059 1.455 2.294 1.00 0.00 H new ATOM 252 N GLU A 16 9.091 -1.061 1.950 1.00 0.00 N ATOM 253 CA GLU A 16 8.089 -2.150 1.747 1.00 0.00 C ATOM 254 C GLU A 16 7.011 -2.077 2.832 1.00 0.00 C ATOM 255 O GLU A 16 5.849 -2.306 2.571 1.00 0.00 O ATOM 256 CB GLU A 16 8.889 -3.448 1.874 1.00 0.00 C ATOM 257 CG GLU A 16 9.816 -3.595 0.665 1.00 0.00 C ATOM 258 CD GLU A 16 10.981 -4.517 1.024 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.629 -4.259 2.025 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.206 -5.468 0.293 1.00 0.00 O ATOM 0 H GLU A 16 9.612 -1.118 2.825 1.00 0.00 H new ATOM 0 HA GLU A 16 7.581 -2.076 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.473 -3.440 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.213 -4.301 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.264 -4.002 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.192 -2.618 0.361 1.00 0.00 H new ATOM 267 N ILE A 17 7.402 -1.751 4.047 1.00 0.00 N ATOM 268 CA ILE A 17 6.434 -1.637 5.202 1.00 0.00 C ATOM 269 C ILE A 17 5.804 -2.995 5.558 1.00 0.00 C ATOM 270 O ILE A 17 5.925 -3.450 6.674 1.00 0.00 O ATOM 271 CB ILE A 17 5.355 -0.623 4.782 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.021 0.700 4.346 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.425 -0.360 5.971 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.712 0.974 2.872 1.00 0.00 C ATOM 0 H ILE A 17 8.372 -1.554 4.295 1.00 0.00 H new ATOM 0 HA ILE A 17 6.957 -1.304 6.099 1.00 0.00 H new ATOM 0 HB ILE A 17 4.782 -1.026 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.657 1.522 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.099 0.642 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.658 0.358 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.952 -1.293 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.003 0.043 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.184 1.909 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.098 0.158 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.633 1.051 2.735 1.00 0.00 H new ATOM 286 N THR A 18 5.126 -3.627 4.631 1.00 0.00 N ATOM 287 CA THR A 18 4.471 -4.955 4.906 1.00 0.00 C ATOM 288 C THR A 18 3.492 -4.835 6.078 1.00 0.00 C ATOM 289 O THR A 18 3.884 -4.715 7.224 1.00 0.00 O ATOM 290 CB THR A 18 5.589 -5.979 5.228 1.00 0.00 C ATOM 291 OG1 THR A 18 5.990 -5.857 6.583 1.00 0.00 O ATOM 292 CG2 THR A 18 6.804 -5.777 4.310 1.00 0.00 C ATOM 0 H THR A 18 4.994 -3.278 3.682 1.00 0.00 H new ATOM 0 HA THR A 18 3.902 -5.284 4.037 1.00 0.00 H new ATOM 0 HB THR A 18 5.188 -6.978 5.057 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.612 -5.037 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.573 -6.509 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.501 -5.907 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.202 -4.772 4.449 1.00 0.00 H new ATOM 300 N ILE A 19 2.215 -4.873 5.791 1.00 0.00 N ATOM 301 CA ILE A 19 1.193 -4.765 6.879 1.00 0.00 C ATOM 302 C ILE A 19 0.037 -5.742 6.636 1.00 0.00 C ATOM 303 O ILE A 19 -0.430 -5.901 5.524 1.00 0.00 O ATOM 304 CB ILE A 19 0.695 -3.311 6.833 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.069 -3.007 5.462 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.872 -2.363 7.075 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.458 -3.077 5.563 1.00 0.00 C ATOM 0 H ILE A 19 1.835 -4.974 4.850 1.00 0.00 H new ATOM 0 HA ILE A 19 1.613 -5.016 7.853 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.059 -3.170 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.375 -2.017 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.427 -3.722 4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.521 -1.332 7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.309 -2.567 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.626 -2.514 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.897 -2.861 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.756 -4.076 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.809 -2.344 6.290 1.00 0.00 H new ATOM 319 N GLU A 20 -0.427 -6.392 7.675 1.00 0.00 N ATOM 320 CA GLU A 20 -1.555 -7.359 7.522 1.00 0.00 C ATOM 321 C GLU A 20 -2.890 -6.612 7.570 1.00 0.00 C ATOM 322 O GLU A 20 -2.994 -5.554 8.163 1.00 0.00 O ATOM 323 CB GLU A 20 -1.427 -8.309 8.714 1.00 0.00 C ATOM 324 CG GLU A 20 -2.277 -9.557 8.468 1.00 0.00 C ATOM 325 CD GLU A 20 -2.789 -10.101 9.804 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.015 -10.127 10.745 1.00 0.00 O ATOM 327 OE2 GLU A 20 -3.946 -10.480 9.862 1.00 0.00 O ATOM 0 H GLU A 20 -0.071 -6.293 8.626 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.520 -7.894 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.384 -8.590 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.752 -7.809 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.117 -9.315 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.686 -10.317 7.957 1.00 0.00 H new ATOM 334 N ALA A 21 -3.909 -7.152 6.950 1.00 0.00 N ATOM 335 CA ALA A 21 -5.238 -6.472 6.956 1.00 0.00 C ATOM 336 C ALA A 21 -6.340 -7.451 6.545 1.00 0.00 C ATOM 337 O ALA A 21 -6.073 -8.542 6.078 1.00 0.00 O ATOM 338 CB ALA A 21 -5.108 -5.349 5.928 1.00 0.00 C ATOM 0 H ALA A 21 -3.877 -8.035 6.440 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.505 -6.096 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.047 -4.798 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.307 -4.673 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.877 -5.775 4.951 1.00 0.00 H new ATOM 344 N VAL A 22 -7.578 -7.065 6.721 1.00 0.00 N ATOM 345 CA VAL A 22 -8.719 -7.959 6.350 1.00 0.00 C ATOM 346 C VAL A 22 -8.604 -8.410 4.886 1.00 0.00 C ATOM 347 O VAL A 22 -8.881 -9.545 4.551 1.00 0.00 O ATOM 348 CB VAL A 22 -9.981 -7.107 6.563 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.930 -5.862 5.669 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.225 -7.933 6.214 1.00 0.00 C ATOM 0 H VAL A 22 -7.850 -6.162 7.109 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.737 -8.869 6.950 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.028 -6.798 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.828 -5.264 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.051 -5.269 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.875 -6.167 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.118 -7.327 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.172 -8.247 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.270 -8.813 6.856 1.00 0.00 H new ATOM 360 N ASP A 23 -8.198 -7.519 4.020 1.00 0.00 N ATOM 361 CA ASP A 23 -8.058 -7.870 2.578 1.00 0.00 C ATOM 362 C ASP A 23 -7.174 -6.830 1.892 1.00 0.00 C ATOM 363 O ASP A 23 -6.775 -5.856 2.503 1.00 0.00 O ATOM 364 CB ASP A 23 -9.479 -7.829 2.018 1.00 0.00 C ATOM 365 CG ASP A 23 -10.079 -9.236 2.044 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.372 -10.167 1.694 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.235 -9.359 2.414 1.00 0.00 O ATOM 0 H ASP A 23 -7.956 -6.556 4.253 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.597 -8.845 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.094 -7.149 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.468 -7.446 0.998 1.00 0.00 H new ATOM 372 N ALA A 24 -6.862 -7.024 0.636 1.00 0.00 N ATOM 373 CA ALA A 24 -5.996 -6.034 -0.070 1.00 0.00 C ATOM 374 C ALA A 24 -6.701 -4.678 -0.132 1.00 0.00 C ATOM 375 O ALA A 24 -6.068 -3.639 -0.147 1.00 0.00 O ATOM 376 CB ALA A 24 -5.778 -6.597 -1.474 1.00 0.00 C ATOM 0 H ALA A 24 -7.167 -7.818 0.073 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.047 -5.881 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.148 -5.915 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.290 -7.569 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.740 -6.708 -1.975 1.00 0.00 H new ATOM 382 N ALA A 25 -8.014 -4.683 -0.158 1.00 0.00 N ATOM 383 CA ALA A 25 -8.776 -3.399 -0.209 1.00 0.00 C ATOM 384 C ALA A 25 -8.390 -2.517 0.982 1.00 0.00 C ATOM 385 O ALA A 25 -8.205 -1.322 0.850 1.00 0.00 O ATOM 386 CB ALA A 25 -10.252 -3.797 -0.124 1.00 0.00 C ATOM 0 H ALA A 25 -8.590 -5.525 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.565 -2.831 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.873 -2.902 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.504 -4.443 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.432 -4.330 0.810 1.00 0.00 H new ATOM 392 N GLU A 26 -8.249 -3.112 2.141 1.00 0.00 N ATOM 393 CA GLU A 26 -7.855 -2.327 3.347 1.00 0.00 C ATOM 394 C GLU A 26 -6.369 -1.982 3.255 1.00 0.00 C ATOM 395 O GLU A 26 -5.969 -0.857 3.490 1.00 0.00 O ATOM 396 CB GLU A 26 -8.130 -3.248 4.545 1.00 0.00 C ATOM 397 CG GLU A 26 -9.157 -2.594 5.475 1.00 0.00 C ATOM 398 CD GLU A 26 -8.811 -2.918 6.931 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.942 -2.256 7.474 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.421 -3.821 7.478 1.00 0.00 O ATOM 0 H GLU A 26 -8.390 -4.109 2.302 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.405 -1.391 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.502 -4.212 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.205 -3.441 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.164 -1.515 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.158 -2.955 5.239 1.00 0.00 H new ATOM 407 N ALA A 27 -5.545 -2.942 2.899 1.00 0.00 N ATOM 408 CA ALA A 27 -4.076 -2.669 2.770 1.00 0.00 C ATOM 409 C ALA A 27 -3.850 -1.495 1.817 1.00 0.00 C ATOM 410 O ALA A 27 -3.139 -0.559 2.130 1.00 0.00 O ATOM 411 CB ALA A 27 -3.465 -3.944 2.187 1.00 0.00 C ATOM 0 H ALA A 27 -5.826 -3.901 2.693 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.625 -2.410 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.390 -3.810 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.654 -4.779 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.915 -4.152 1.216 1.00 0.00 H new ATOM 417 N GLU A 28 -4.471 -1.531 0.660 1.00 0.00 N ATOM 418 CA GLU A 28 -4.312 -0.407 -0.312 1.00 0.00 C ATOM 419 C GLU A 28 -4.775 0.896 0.343 1.00 0.00 C ATOM 420 O GLU A 28 -4.202 1.940 0.124 1.00 0.00 O ATOM 421 CB GLU A 28 -5.203 -0.757 -1.506 1.00 0.00 C ATOM 422 CG GLU A 28 -4.749 0.041 -2.735 1.00 0.00 C ATOM 423 CD GLU A 28 -5.863 0.039 -3.784 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.012 0.185 -3.399 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.548 -0.110 -4.953 1.00 0.00 O ATOM 0 H GLU A 28 -5.079 -2.289 0.350 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.276 -0.272 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.149 -1.826 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.244 -0.529 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.507 1.064 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.842 -0.397 -3.151 1.00 0.00 H new ATOM 432 N LYS A 29 -5.793 0.829 1.167 1.00 0.00 N ATOM 433 CA LYS A 29 -6.277 2.060 1.862 1.00 0.00 C ATOM 434 C LYS A 29 -5.245 2.477 2.912 1.00 0.00 C ATOM 435 O LYS A 29 -4.799 3.611 2.947 1.00 0.00 O ATOM 436 CB LYS A 29 -7.598 1.662 2.525 1.00 0.00 C ATOM 437 CG LYS A 29 -8.632 1.321 1.447 1.00 0.00 C ATOM 438 CD LYS A 29 -9.512 2.545 1.172 1.00 0.00 C ATOM 439 CE LYS A 29 -8.998 3.281 -0.068 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.185 3.998 -0.609 1.00 0.00 N ATOM 0 H LYS A 29 -6.308 -0.024 1.387 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.417 2.901 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.444 0.804 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.964 2.478 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.129 1.010 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.249 0.483 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.546 2.235 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.502 3.213 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.199 3.977 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.590 2.584 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.912 4.527 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.926 3.310 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.547 4.659 0.107 1.00 0.00 H new ATOM 454 N ILE A 30 -4.837 1.553 3.752 1.00 0.00 N ATOM 455 CA ILE A 30 -3.806 1.875 4.789 1.00 0.00 C ATOM 456 C ILE A 30 -2.537 2.357 4.084 1.00 0.00 C ATOM 457 O ILE A 30 -1.854 3.252 4.544 1.00 0.00 O ATOM 458 CB ILE A 30 -3.541 0.559 5.532 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.833 0.065 6.189 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.483 0.777 6.619 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.764 -1.455 6.365 1.00 0.00 C ATOM 0 H ILE A 30 -5.174 0.590 3.763 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.129 2.655 5.478 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.184 -0.182 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.970 0.548 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.692 0.333 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.300 -0.162 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.557 1.123 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.839 1.524 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.683 -1.809 6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.647 -1.929 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.913 -1.710 6.997 1.00 0.00 H new ATOM 473 N PHE A 31 -2.238 1.766 2.957 1.00 0.00 N ATOM 474 CA PHE A 31 -1.031 2.180 2.188 1.00 0.00 C ATOM 475 C PHE A 31 -1.309 3.511 1.487 1.00 0.00 C ATOM 476 O PHE A 31 -0.455 4.376 1.419 1.00 0.00 O ATOM 477 CB PHE A 31 -0.803 1.061 1.166 1.00 0.00 C ATOM 478 CG PHE A 31 0.018 -0.041 1.793 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.231 0.263 2.420 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.434 -1.366 1.745 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.995 -0.755 3.000 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.332 -2.385 2.325 1.00 0.00 C ATOM 483 CZ PHE A 31 1.546 -2.079 2.952 1.00 0.00 C ATOM 0 H PHE A 31 -2.781 1.012 2.536 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.155 2.323 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.760 0.666 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.290 1.455 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.578 1.285 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.371 -1.601 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.931 -0.519 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.014 -3.407 2.289 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.136 -2.866 3.399 1.00 0.00 H new ATOM 493 N LYS A 32 -2.501 3.681 0.969 1.00 0.00 N ATOM 494 CA LYS A 32 -2.851 4.953 0.276 1.00 0.00 C ATOM 495 C LYS A 32 -3.128 6.083 1.278 1.00 0.00 C ATOM 496 O LYS A 32 -3.410 7.199 0.888 1.00 0.00 O ATOM 497 CB LYS A 32 -4.099 4.649 -0.547 1.00 0.00 C ATOM 498 CG LYS A 32 -3.695 3.882 -1.809 1.00 0.00 C ATOM 499 CD LYS A 32 -4.950 3.498 -2.597 1.00 0.00 C ATOM 500 CE LYS A 32 -5.643 4.762 -3.116 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.805 4.965 -2.207 1.00 0.00 N ATOM 0 H LYS A 32 -3.248 2.987 0.998 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.026 5.295 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.803 4.060 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.606 5.575 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.039 4.496 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.134 2.987 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.683 2.850 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.632 2.933 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.970 5.619 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.967 4.638 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.891 5.975 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.674 4.642 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.662 4.420 -1.333 1.00 0.00 H new ATOM 515 N GLN A 33 -2.997 5.825 2.558 1.00 0.00 N ATOM 516 CA GLN A 33 -3.194 6.911 3.568 1.00 0.00 C ATOM 517 C GLN A 33 -1.796 7.254 4.049 1.00 0.00 C ATOM 518 O GLN A 33 -1.381 8.394 4.111 1.00 0.00 O ATOM 519 CB GLN A 33 -4.033 6.293 4.689 1.00 0.00 C ATOM 520 CG GLN A 33 -4.226 7.319 5.809 1.00 0.00 C ATOM 521 CD GLN A 33 -4.631 6.601 7.098 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.534 5.787 7.095 1.00 0.00 O ATOM 523 NE2 GLN A 33 -3.998 6.871 8.206 1.00 0.00 N ATOM 0 H GLN A 33 -2.763 4.911 2.945 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.694 7.806 3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.001 5.977 4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.539 5.403 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.304 7.878 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.992 8.041 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.241 7.554 8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.260 6.399 9.071 1.00 0.00 H new ATOM 532 N TYR A 34 -1.054 6.217 4.309 1.00 0.00 N ATOM 533 CA TYR A 34 0.371 6.330 4.707 1.00 0.00 C ATOM 534 C TYR A 34 1.114 7.169 3.645 1.00 0.00 C ATOM 535 O TYR A 34 2.014 7.929 3.947 1.00 0.00 O ATOM 536 CB TYR A 34 0.793 4.851 4.689 1.00 0.00 C ATOM 537 CG TYR A 34 2.296 4.688 4.564 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.108 4.801 5.700 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.872 4.420 3.316 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.494 4.647 5.588 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.259 4.266 3.205 1.00 0.00 C ATOM 542 CZ TYR A 34 5.070 4.379 4.341 1.00 0.00 C ATOM 543 OH TYR A 34 6.438 4.225 4.231 1.00 0.00 O ATOM 0 H TYR A 34 -1.394 5.257 4.259 1.00 0.00 H new ATOM 0 HA TYR A 34 0.573 6.817 5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.451 4.366 5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.303 4.345 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.664 5.007 6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.247 4.332 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.120 4.735 6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.704 4.060 2.243 1.00 0.00 H new ATOM 0 HH TYR A 34 6.795 3.862 5.068 1.00 0.00 H new ATOM 553 N ALA A 35 0.704 7.040 2.404 1.00 0.00 N ATOM 554 CA ALA A 35 1.333 7.831 1.303 1.00 0.00 C ATOM 555 C ALA A 35 1.033 9.316 1.534 1.00 0.00 C ATOM 556 O ALA A 35 1.920 10.124 1.737 1.00 0.00 O ATOM 557 CB ALA A 35 0.640 7.361 0.015 1.00 0.00 C ATOM 0 H ALA A 35 -0.045 6.415 2.107 1.00 0.00 H new ATOM 0 HA ALA A 35 2.413 7.696 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.052 7.901 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.805 6.292 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.430 7.557 0.085 1.00 0.00 H new ATOM 563 N ASN A 36 -0.228 9.667 1.500 1.00 0.00 N ATOM 564 CA ASN A 36 -0.638 11.092 1.711 1.00 0.00 C ATOM 565 C ASN A 36 -0.138 11.601 3.061 1.00 0.00 C ATOM 566 O ASN A 36 0.311 12.724 3.181 1.00 0.00 O ATOM 567 CB ASN A 36 -2.166 11.068 1.696 1.00 0.00 C ATOM 568 CG ASN A 36 -2.659 10.775 0.277 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.831 11.678 -0.517 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.895 9.542 -0.075 1.00 0.00 N ATOM 0 H ASN A 36 -1.000 9.021 1.333 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.223 11.751 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.535 10.308 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.559 12.026 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.224 9.335 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.750 8.784 0.593 1.00 0.00 H new ATOM 577 N ASP A 37 -0.219 10.778 4.081 1.00 0.00 N ATOM 578 CA ASP A 37 0.248 11.200 5.447 1.00 0.00 C ATOM 579 C ASP A 37 1.645 11.823 5.378 1.00 0.00 C ATOM 580 O ASP A 37 2.004 12.665 6.180 1.00 0.00 O ATOM 581 CB ASP A 37 0.275 9.915 6.276 1.00 0.00 C ATOM 582 CG ASP A 37 -1.065 9.742 6.992 1.00 0.00 C ATOM 583 OD1 ASP A 37 -2.082 10.028 6.383 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.053 9.327 8.139 1.00 0.00 O ATOM 0 H ASP A 37 -0.589 9.829 4.029 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.407 11.955 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.468 9.058 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.086 9.956 7.004 1.00 0.00 H new ATOM 589 N ASN A 38 2.415 11.419 4.411 1.00 0.00 N ATOM 590 CA ASN A 38 3.779 11.975 4.245 1.00 0.00 C ATOM 591 C ASN A 38 3.806 12.933 3.049 1.00 0.00 C ATOM 592 O ASN A 38 4.298 14.041 3.136 1.00 0.00 O ATOM 593 CB ASN A 38 4.675 10.762 3.987 1.00 0.00 C ATOM 594 CG ASN A 38 5.366 10.345 5.287 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.740 10.276 6.326 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.640 10.063 5.273 1.00 0.00 N ATOM 0 H ASN A 38 2.152 10.717 3.720 1.00 0.00 H new ATOM 0 HA ASN A 38 4.109 12.540 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.081 9.935 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.420 11.003 3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.110 9.785 6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.166 10.121 4.401 1.00 0.00 H new ATOM 603 N GLY A 39 3.279 12.500 1.934 1.00 0.00 N ATOM 604 CA GLY A 39 3.260 13.354 0.712 1.00 0.00 C ATOM 605 C GLY A 39 3.617 12.475 -0.479 1.00 0.00 C ATOM 606 O GLY A 39 4.644 12.648 -1.110 1.00 0.00 O ATOM 0 H GLY A 39 2.856 11.579 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.276 13.801 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.972 14.174 0.808 1.00 0.00 H new ATOM 610 N ILE A 40 2.796 11.497 -0.757 1.00 0.00 N ATOM 611 CA ILE A 40 3.088 10.550 -1.864 1.00 0.00 C ATOM 612 C ILE A 40 1.975 10.619 -2.915 1.00 0.00 C ATOM 613 O ILE A 40 0.803 10.609 -2.585 1.00 0.00 O ATOM 614 CB ILE A 40 3.085 9.216 -1.131 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.203 9.235 -0.037 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.225 8.046 -2.122 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.347 8.277 -0.357 1.00 0.00 C ATOM 0 H ILE A 40 1.926 11.315 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 40 4.014 10.744 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 40 2.130 9.064 -0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.596 10.247 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.769 8.969 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.220 7.103 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.391 8.062 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.162 8.143 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.096 8.328 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.961 7.260 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.802 8.558 -1.307 1.00 0.00 H new ATOM 629 N ASP A 41 2.328 10.691 -4.175 1.00 0.00 N ATOM 630 CA ASP A 41 1.280 10.764 -5.247 1.00 0.00 C ATOM 631 C ASP A 41 1.913 10.646 -6.639 1.00 0.00 C ATOM 632 O ASP A 41 2.500 11.583 -7.147 1.00 0.00 O ATOM 633 CB ASP A 41 0.608 12.135 -5.076 1.00 0.00 C ATOM 634 CG ASP A 41 1.656 13.250 -5.162 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.490 13.321 -4.274 1.00 0.00 O ATOM 636 OD2 ASP A 41 1.605 14.012 -6.114 1.00 0.00 O ATOM 0 H ASP A 41 3.292 10.703 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 41 0.563 9.948 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.149 12.276 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.096 12.180 -4.115 1.00 0.00 H new ATOM 641 N GLY A 42 1.793 9.498 -7.256 1.00 0.00 N ATOM 642 CA GLY A 42 2.380 9.303 -8.614 1.00 0.00 C ATOM 643 C GLY A 42 1.781 8.053 -9.267 1.00 0.00 C ATOM 644 O GLY A 42 1.351 8.087 -10.405 1.00 0.00 O ATOM 0 H GLY A 42 1.311 8.684 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.183 10.178 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.463 9.202 -8.541 1.00 0.00 H new ATOM 648 N GLU A 43 1.757 6.948 -8.560 1.00 0.00 N ATOM 649 CA GLU A 43 1.195 5.692 -9.147 1.00 0.00 C ATOM 650 C GLU A 43 0.690 4.756 -8.046 1.00 0.00 C ATOM 651 O GLU A 43 0.958 4.963 -6.884 1.00 0.00 O ATOM 652 CB GLU A 43 2.369 5.045 -9.886 1.00 0.00 C ATOM 653 CG GLU A 43 1.861 3.885 -10.741 1.00 0.00 C ATOM 654 CD GLU A 43 2.819 3.654 -11.911 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.979 4.564 -12.709 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.378 2.573 -11.989 1.00 0.00 O ATOM 0 H GLU A 43 2.102 6.863 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 43 0.348 5.895 -9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.867 5.783 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.109 4.686 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.784 2.981 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.861 4.105 -11.114 1.00 0.00 H new ATOM 663 N TRP A 44 -0.025 3.722 -8.423 1.00 0.00 N ATOM 664 CA TRP A 44 -0.555 2.729 -7.430 1.00 0.00 C ATOM 665 C TRP A 44 -0.922 1.438 -8.158 1.00 0.00 C ATOM 666 O TRP A 44 -1.817 1.418 -8.983 1.00 0.00 O ATOM 667 CB TRP A 44 -1.815 3.353 -6.824 1.00 0.00 C ATOM 668 CG TRP A 44 -1.441 4.187 -5.654 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.361 5.538 -5.632 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.106 3.729 -4.328 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.966 5.934 -4.366 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.799 4.850 -3.525 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.033 2.451 -3.755 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.425 4.708 -2.193 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.659 2.303 -2.410 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.353 3.431 -1.632 1.00 0.00 C ATOM 0 H TRP A 44 -0.268 3.520 -9.393 1.00 0.00 H new ATOM 0 HA TRP A 44 0.181 2.497 -6.660 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.327 3.962 -7.569 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.510 2.571 -6.519 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.570 6.196 -6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.817 6.904 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.265 1.580 -4.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.192 5.578 -1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.606 1.317 -1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.062 3.311 -0.599 1.00 0.00 H new ATOM 687 N THR A 45 -0.240 0.363 -7.864 1.00 0.00 N ATOM 688 CA THR A 45 -0.555 -0.931 -8.547 1.00 0.00 C ATOM 689 C THR A 45 -0.527 -2.062 -7.532 1.00 0.00 C ATOM 690 O THR A 45 0.401 -2.186 -6.762 1.00 0.00 O ATOM 691 CB THR A 45 0.540 -1.152 -9.603 1.00 0.00 C ATOM 692 OG1 THR A 45 1.736 -1.583 -8.969 1.00 0.00 O ATOM 693 CG2 THR A 45 0.809 0.142 -10.371 1.00 0.00 C ATOM 0 H THR A 45 0.519 0.322 -7.184 1.00 0.00 H new ATOM 0 HA THR A 45 -1.543 -0.907 -9.006 1.00 0.00 H new ATOM 0 HB THR A 45 0.201 -1.915 -10.304 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.432 -1.725 -9.645 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.587 -0.031 -11.115 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.105 0.466 -10.870 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.137 0.916 -9.677 1.00 0.00 H new ATOM 701 N TYR A 46 -1.532 -2.888 -7.539 1.00 0.00 N ATOM 702 CA TYR A 46 -1.574 -4.029 -6.579 1.00 0.00 C ATOM 703 C TYR A 46 -1.051 -5.302 -7.259 1.00 0.00 C ATOM 704 O TYR A 46 -1.497 -5.671 -8.331 1.00 0.00 O ATOM 705 CB TYR A 46 -3.055 -4.172 -6.189 1.00 0.00 C ATOM 706 CG TYR A 46 -3.265 -5.468 -5.430 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.524 -5.727 -4.271 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.179 -6.416 -5.904 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.702 -6.934 -3.583 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.354 -7.623 -5.217 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.617 -7.881 -4.058 1.00 0.00 C ATOM 712 OH TYR A 46 -3.795 -9.070 -3.384 1.00 0.00 O ATOM 0 H TYR A 46 -2.331 -2.824 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.949 -3.863 -5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.362 -3.326 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.679 -4.159 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.816 -4.997 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.749 -6.216 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.134 -7.134 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.059 -8.355 -5.583 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.467 -9.612 -3.848 1.00 0.00 H new ATOM 722 N ASP A 47 -0.131 -5.983 -6.629 1.00 0.00 N ATOM 723 CA ASP A 47 0.401 -7.246 -7.214 1.00 0.00 C ATOM 724 C ASP A 47 -0.336 -8.433 -6.588 1.00 0.00 C ATOM 725 O ASP A 47 -0.061 -8.827 -5.468 1.00 0.00 O ATOM 726 CB ASP A 47 1.887 -7.273 -6.851 1.00 0.00 C ATOM 727 CG ASP A 47 2.655 -8.075 -7.904 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.286 -7.997 -9.064 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.599 -8.751 -7.532 1.00 0.00 O ATOM 0 H ASP A 47 0.275 -5.717 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 47 0.263 -7.303 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.277 -6.257 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.024 -7.720 -5.867 1.00 0.00 H new ATOM 734 N ASP A 48 -1.278 -8.995 -7.304 1.00 0.00 N ATOM 735 CA ASP A 48 -2.063 -10.153 -6.764 1.00 0.00 C ATOM 736 C ASP A 48 -1.223 -11.442 -6.709 1.00 0.00 C ATOM 737 O ASP A 48 -1.706 -12.476 -6.287 1.00 0.00 O ATOM 738 CB ASP A 48 -3.243 -10.323 -7.729 1.00 0.00 C ATOM 739 CG ASP A 48 -2.725 -10.595 -9.145 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.093 -9.713 -9.703 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.972 -11.679 -9.646 1.00 0.00 O ATOM 0 H ASP A 48 -1.540 -8.701 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.385 -9.964 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.877 -11.146 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.860 -9.424 -7.725 1.00 0.00 H new ATOM 746 N ALA A 49 0.021 -11.392 -7.116 1.00 0.00 N ATOM 747 CA ALA A 49 0.880 -12.610 -7.070 1.00 0.00 C ATOM 748 C ALA A 49 1.618 -12.660 -5.733 1.00 0.00 C ATOM 749 O ALA A 49 1.973 -13.719 -5.248 1.00 0.00 O ATOM 750 CB ALA A 49 1.868 -12.447 -8.225 1.00 0.00 C ATOM 0 H ALA A 49 0.478 -10.556 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 49 0.307 -13.533 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.536 -13.308 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.321 -12.378 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.453 -11.539 -8.078 1.00 0.00 H new ATOM 756 N THR A 50 1.842 -11.518 -5.129 1.00 0.00 N ATOM 757 CA THR A 50 2.546 -11.485 -3.817 1.00 0.00 C ATOM 758 C THR A 50 1.906 -10.433 -2.909 1.00 0.00 C ATOM 759 O THR A 50 2.485 -10.026 -1.919 1.00 0.00 O ATOM 760 CB THR A 50 3.987 -11.101 -4.147 1.00 0.00 C ATOM 761 OG1 THR A 50 4.004 -9.834 -4.790 1.00 0.00 O ATOM 762 CG2 THR A 50 4.593 -12.154 -5.073 1.00 0.00 C ATOM 0 H THR A 50 1.565 -10.606 -5.493 1.00 0.00 H new ATOM 0 HA THR A 50 2.491 -12.439 -3.293 1.00 0.00 H new ATOM 0 HB THR A 50 4.570 -11.047 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.810 -9.949 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.622 -11.882 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.579 -13.125 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.011 -12.208 -5.993 1.00 0.00 H new ATOM 770 N LYS A 51 0.705 -9.991 -3.229 1.00 0.00 N ATOM 771 CA LYS A 51 0.014 -8.971 -2.385 1.00 0.00 C ATOM 772 C LYS A 51 0.930 -7.783 -2.080 1.00 0.00 C ATOM 773 O LYS A 51 1.014 -7.320 -0.958 1.00 0.00 O ATOM 774 CB LYS A 51 -0.369 -9.727 -1.121 1.00 0.00 C ATOM 775 CG LYS A 51 -1.624 -10.534 -1.427 1.00 0.00 C ATOM 776 CD LYS A 51 -1.254 -11.783 -2.223 1.00 0.00 C ATOM 777 CE LYS A 51 -2.113 -12.964 -1.760 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.248 -13.016 -2.721 1.00 0.00 N ATOM 0 H LYS A 51 0.177 -10.300 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.854 -8.538 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.442 -10.385 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.551 -9.033 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.121 -10.817 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.329 -9.926 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.406 -11.606 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.198 -12.014 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.544 -13.894 -1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.467 -12.818 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.881 -13.801 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.776 -12.120 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.882 -13.162 -3.683 1.00 0.00 H new ATOM 792 N THR A 52 1.608 -7.291 -3.082 1.00 0.00 N ATOM 793 CA THR A 52 2.522 -6.128 -2.876 1.00 0.00 C ATOM 794 C THR A 52 2.086 -4.954 -3.757 1.00 0.00 C ATOM 795 O THR A 52 2.192 -5.006 -4.967 1.00 0.00 O ATOM 796 CB THR A 52 3.903 -6.630 -3.296 1.00 0.00 C ATOM 797 OG1 THR A 52 4.221 -7.803 -2.561 1.00 0.00 O ATOM 798 CG2 THR A 52 4.949 -5.549 -3.014 1.00 0.00 C ATOM 0 H THR A 52 1.569 -7.645 -4.038 1.00 0.00 H new ATOM 0 HA THR A 52 2.515 -5.773 -1.845 1.00 0.00 H new ATOM 0 HB THR A 52 3.899 -6.858 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.208 -8.578 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.933 -5.908 -3.314 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.704 -4.649 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.956 -5.319 -1.949 1.00 0.00 H new ATOM 806 N PHE A 53 1.601 -3.896 -3.157 1.00 0.00 N ATOM 807 CA PHE A 53 1.162 -2.714 -3.959 1.00 0.00 C ATOM 808 C PHE A 53 2.398 -1.965 -4.487 1.00 0.00 C ATOM 809 O PHE A 53 3.514 -2.404 -4.281 1.00 0.00 O ATOM 810 CB PHE A 53 0.343 -1.855 -2.989 1.00 0.00 C ATOM 811 CG PHE A 53 -0.981 -2.536 -2.707 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.062 -3.547 -1.736 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.130 -2.158 -3.413 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.288 -4.173 -1.473 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.354 -2.788 -3.147 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.433 -3.792 -2.179 1.00 0.00 C ATOM 0 H PHE A 53 1.490 -3.800 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 53 0.568 -2.985 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.895 -1.710 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.172 -0.867 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.178 -3.843 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.073 -1.382 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.348 -4.950 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.239 -2.496 -3.693 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.378 -4.274 -1.976 1.00 0.00 H new ATOM 826 N THR A 54 2.226 -0.848 -5.168 1.00 0.00 N ATOM 827 CA THR A 54 3.409 -0.107 -5.694 1.00 0.00 C ATOM 828 C THR A 54 3.013 1.345 -5.909 1.00 0.00 C ATOM 829 O THR A 54 2.216 1.651 -6.775 1.00 0.00 O ATOM 830 CB THR A 54 3.764 -0.767 -7.033 1.00 0.00 C ATOM 831 OG1 THR A 54 3.506 -2.164 -6.970 1.00 0.00 O ATOM 832 CG2 THR A 54 5.247 -0.537 -7.334 1.00 0.00 C ATOM 0 H THR A 54 1.321 -0.427 -5.377 1.00 0.00 H new ATOM 0 HA THR A 54 4.258 -0.136 -5.011 1.00 0.00 H new ATOM 0 HB THR A 54 3.155 -0.327 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.810 -2.398 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.502 -1.005 -8.285 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.445 0.533 -7.392 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.852 -0.975 -6.540 1.00 0.00 H new ATOM 840 N VAL A 55 3.540 2.235 -5.117 1.00 0.00 N ATOM 841 CA VAL A 55 3.162 3.670 -5.264 1.00 0.00 C ATOM 842 C VAL A 55 4.390 4.539 -5.521 1.00 0.00 C ATOM 843 O VAL A 55 5.438 4.346 -4.938 1.00 0.00 O ATOM 844 CB VAL A 55 2.471 4.039 -3.942 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.411 3.754 -2.776 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.093 5.524 -3.934 1.00 0.00 C ATOM 0 H VAL A 55 4.213 2.034 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 55 2.505 3.835 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 55 1.566 3.440 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.919 4.016 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.668 2.695 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.319 4.347 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.604 5.770 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.993 6.129 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.412 5.731 -4.760 1.00 0.00 H new ATOM 856 N THR A 56 4.256 5.500 -6.395 1.00 0.00 N ATOM 857 CA THR A 56 5.406 6.398 -6.705 1.00 0.00 C ATOM 858 C THR A 56 4.938 7.854 -6.773 1.00 0.00 C ATOM 859 O THR A 56 3.813 8.160 -6.432 1.00 0.00 O ATOM 860 CB THR A 56 5.947 5.898 -8.058 1.00 0.00 C ATOM 861 OG1 THR A 56 7.220 6.480 -8.315 1.00 0.00 O ATOM 862 CG2 THR A 56 4.998 6.252 -9.204 1.00 0.00 C ATOM 0 H THR A 56 3.398 5.702 -6.909 1.00 0.00 H new ATOM 0 HA THR A 56 6.182 6.372 -5.940 1.00 0.00 H new ATOM 0 HB THR A 56 6.034 4.813 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.488 6.287 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.410 5.885 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.027 5.790 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.880 7.334 -9.258 1.00 0.00 H new ATOM 870 N GLU A 57 5.790 8.746 -7.208 1.00 0.00 N ATOM 871 CA GLU A 57 5.388 10.181 -7.299 1.00 0.00 C ATOM 872 C GLU A 57 5.781 10.755 -8.663 1.00 0.00 C ATOM 873 O GLU A 57 4.894 10.959 -9.475 1.00 0.00 O ATOM 874 CB GLU A 57 6.157 10.882 -6.179 1.00 0.00 C ATOM 875 CG GLU A 57 5.356 12.091 -5.690 1.00 0.00 C ATOM 876 CD GLU A 57 5.703 13.313 -6.543 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.852 13.431 -6.933 1.00 0.00 O ATOM 878 OE2 GLU A 57 4.813 14.109 -6.792 1.00 0.00 O ATOM 879 OXT GLU A 57 6.961 10.979 -8.872 1.00 0.00 O ATOM 0 H GLU A 57 6.745 8.543 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 57 4.311 10.315 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.331 10.190 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.135 11.202 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.288 11.882 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.581 12.290 -4.642 1.00 0.00 H new TER 886 GLU A 57