USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 3 MET CE :methyl 175:sc= -0.847 (180deg=-0.764) USER MOD Set 1.2: A 6 SER OG : rot -116:sc= 0.847 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.47 (180deg=-0.881) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.04 (180deg=1.01) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 14 GLN : amide:sc= -3! K(o=-3!,f=-0.2) USER MOD Single : A 19 TYR OH : rot 162:sc= 0.358 USER MOD Single : A 20 MET CE :methyl 158:sc= -14.2! (180deg=-17.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.531 K(o=-0.53,f=-12!) USER MOD Single : A 28 THR OG1 : rot 18:sc= 0.384 USER MOD Single : A 30 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.3!) USER MOD Single : A 31 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.04) USER MOD Single : A 32 HIS : no HE2:sc= 0.269 K(o=0.27,f=-6.4!) USER MOD Single : A 33 ASN : amide:sc= -0.406 K(o=-0.41,f=0.27) USER MOD Single : A 34 GLN : amide:sc= -0.26! X(o=-0.26!,f=-0.0021) USER MOD Single : A 35 SER OG : rot 114:sc= 0.447 USER MOD Single : A 43 SER OG : rot 127:sc= 1.24 USER MOD Single : A 44 GLN : amide:sc= -3.59! C(o=-3.6!,f=-11!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.314 1.448 -2.319 1.00 0.00 N ATOM 2 CA MET A 1 1.628 1.256 -2.978 1.00 0.00 C ATOM 3 C MET A 1 1.887 -0.235 -3.106 1.00 0.00 C ATOM 4 O MET A 1 1.550 -1.012 -2.215 1.00 0.00 O ATOM 5 CB MET A 1 2.732 1.914 -2.144 1.00 0.00 C ATOM 6 CG MET A 1 2.733 3.433 -2.378 1.00 0.00 C ATOM 7 SD MET A 1 2.664 3.786 -4.156 1.00 0.00 S ATOM 8 CE MET A 1 4.235 3.010 -4.622 1.00 0.00 C ATOM 0 H1 MET A 1 0.112 2.465 -2.238 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.429 0.991 -2.886 1.00 0.00 H new ATOM 0 H3 MET A 1 0.336 1.023 -1.370 1.00 0.00 H new ATOM 0 HA MET A 1 1.623 1.717 -3.965 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.576 1.701 -1.086 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.702 1.496 -2.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.879 3.887 -1.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.630 3.875 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.503 3.310 -5.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.016 3.327 -3.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.132 1.926 -4.580 1.00 0.00 H new ATOM 18 N LEU A 2 2.468 -0.637 -4.227 1.00 0.00 N ATOM 19 CA LEU A 2 2.737 -2.042 -4.470 1.00 0.00 C ATOM 20 C LEU A 2 4.110 -2.256 -5.077 1.00 0.00 C ATOM 21 O LEU A 2 4.545 -1.475 -5.916 1.00 0.00 O ATOM 22 CB LEU A 2 1.699 -2.561 -5.437 1.00 0.00 C ATOM 23 CG LEU A 2 1.553 -4.052 -5.263 1.00 0.00 C ATOM 24 CD1 LEU A 2 0.292 -4.321 -4.446 1.00 0.00 C ATOM 25 CD2 LEU A 2 1.460 -4.678 -6.649 1.00 0.00 C ATOM 0 H LEU A 2 2.760 -0.012 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 2 2.701 -2.570 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.743 -2.068 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.993 -2.330 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 2 2.404 -4.484 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.169 -5.395 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.380 -3.839 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.575 -3.921 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.354 -5.759 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.595 -4.273 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.365 -4.451 -7.212 1.00 0.00 H new ATOM 37 N MET A 3 4.772 -3.332 -4.681 1.00 0.00 N ATOM 38 CA MET A 3 6.078 -3.641 -5.235 1.00 0.00 C ATOM 39 C MET A 3 5.906 -4.527 -6.458 1.00 0.00 C ATOM 40 O MET A 3 5.297 -5.593 -6.374 1.00 0.00 O ATOM 41 CB MET A 3 6.954 -4.348 -4.197 1.00 0.00 C ATOM 42 CG MET A 3 8.431 -4.097 -4.515 1.00 0.00 C ATOM 43 SD MET A 3 8.950 -5.143 -5.895 1.00 0.00 S ATOM 44 CE MET A 3 10.684 -4.621 -5.921 1.00 0.00 C ATOM 0 H MET A 3 4.431 -3.997 -3.987 1.00 0.00 H new ATOM 0 HA MET A 3 6.570 -2.711 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.719 -3.981 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.748 -5.418 -4.200 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.585 -3.047 -4.765 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.042 -4.308 -3.637 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.231 -5.214 -6.654 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.742 -3.566 -6.190 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.123 -4.768 -4.934 1.00 0.00 H new ATOM 54 N ILE A 4 6.422 -4.083 -7.592 1.00 0.00 N ATOM 55 CA ILE A 4 6.298 -4.847 -8.824 1.00 0.00 C ATOM 56 C ILE A 4 7.607 -5.540 -9.162 1.00 0.00 C ATOM 57 O ILE A 4 7.648 -6.760 -9.345 1.00 0.00 O ATOM 58 CB ILE A 4 5.921 -3.910 -9.979 1.00 0.00 C ATOM 59 CG1 ILE A 4 4.512 -3.346 -9.762 1.00 0.00 C ATOM 60 CG2 ILE A 4 5.974 -4.663 -11.316 1.00 0.00 C ATOM 61 CD1 ILE A 4 3.465 -4.454 -9.918 1.00 0.00 C ATOM 0 H ILE A 4 6.928 -3.203 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 4 5.522 -5.599 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 4 6.637 -3.088 -10.005 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.439 -2.905 -8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.318 -2.549 -10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.704 -3.985 -12.126 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.983 -5.042 -11.481 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.273 -5.497 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.470 -4.039 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.528 -4.876 -10.921 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.651 -5.237 -9.183 1.00 0.00 H new ATOM 73 N THR A 5 8.665 -4.755 -9.265 1.00 0.00 N ATOM 74 CA THR A 5 9.961 -5.294 -9.613 1.00 0.00 C ATOM 75 C THR A 5 11.035 -4.301 -9.271 1.00 0.00 C ATOM 76 O THR A 5 10.810 -3.339 -8.542 1.00 0.00 O ATOM 77 CB THR A 5 10.009 -5.585 -11.124 1.00 0.00 C ATOM 78 OG1 THR A 5 11.102 -6.451 -11.403 1.00 0.00 O ATOM 79 CG2 THR A 5 10.192 -4.275 -11.908 1.00 0.00 C ATOM 0 H THR A 5 8.649 -3.747 -9.113 1.00 0.00 H new ATOM 0 HA THR A 5 10.125 -6.215 -9.054 1.00 0.00 H new ATOM 0 HB THR A 5 9.074 -6.057 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.133 -6.639 -12.364 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.225 -4.492 -12.976 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.357 -3.606 -11.699 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.124 -3.797 -11.606 1.00 0.00 H new ATOM 87 N SER A 6 12.184 -4.524 -9.850 1.00 0.00 N ATOM 88 CA SER A 6 13.300 -3.640 -9.675 1.00 0.00 C ATOM 89 C SER A 6 14.049 -3.601 -10.980 1.00 0.00 C ATOM 90 O SER A 6 14.222 -4.631 -11.634 1.00 0.00 O ATOM 91 CB SER A 6 14.190 -4.113 -8.549 1.00 0.00 C ATOM 92 OG SER A 6 13.434 -4.913 -7.642 1.00 0.00 O ATOM 0 H SER A 6 12.371 -5.323 -10.455 1.00 0.00 H new ATOM 0 HA SER A 6 12.959 -2.641 -9.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.024 -4.690 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.616 -3.257 -8.026 1.00 0.00 H new ATOM 0 HG SER A 6 13.400 -4.473 -6.767 1.00 0.00 H new ATOM 98 N PHE A 7 14.437 -2.419 -11.392 1.00 0.00 N ATOM 99 CA PHE A 7 15.104 -2.266 -12.665 1.00 0.00 C ATOM 100 C PHE A 7 16.586 -2.007 -12.493 1.00 0.00 C ATOM 101 O PHE A 7 16.998 -1.194 -11.668 1.00 0.00 O ATOM 102 CB PHE A 7 14.432 -1.116 -13.410 1.00 0.00 C ATOM 103 CG PHE A 7 13.040 -1.542 -13.827 1.00 0.00 C ATOM 104 CD1 PHE A 7 12.836 -2.785 -14.434 1.00 0.00 C ATOM 105 CD2 PHE A 7 11.957 -0.689 -13.622 1.00 0.00 C ATOM 106 CE1 PHE A 7 11.555 -3.173 -14.829 1.00 0.00 C ATOM 107 CE2 PHE A 7 10.678 -1.074 -14.030 1.00 0.00 C ATOM 108 CZ PHE A 7 10.476 -2.317 -14.628 1.00 0.00 C ATOM 0 H PHE A 7 14.304 -1.553 -10.870 1.00 0.00 H new ATOM 0 HA PHE A 7 15.017 -3.190 -13.236 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.380 -0.234 -12.772 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.019 -0.841 -14.286 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.673 -3.447 -14.598 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.107 0.270 -13.148 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.401 -4.137 -15.291 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.842 -0.406 -13.882 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.484 -2.615 -14.935 1.00 0.00 H new ATOM 118 N ALA A 8 17.381 -2.703 -13.292 1.00 0.00 N ATOM 119 CA ALA A 8 18.822 -2.549 -13.245 1.00 0.00 C ATOM 120 C ALA A 8 19.167 -1.082 -13.366 1.00 0.00 C ATOM 121 O ALA A 8 20.151 -0.608 -12.792 1.00 0.00 O ATOM 122 CB ALA A 8 19.466 -3.310 -14.400 1.00 0.00 C ATOM 0 H ALA A 8 17.050 -3.379 -13.980 1.00 0.00 H new ATOM 0 HA ALA A 8 19.195 -2.946 -12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.548 -3.189 -14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 8 19.216 -4.368 -14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.094 -2.917 -15.347 1.00 0.00 H new ATOM 128 N ASN A 9 18.344 -0.366 -14.122 1.00 0.00 N ATOM 129 CA ASN A 9 18.562 1.053 -14.327 1.00 0.00 C ATOM 130 C ASN A 9 17.338 1.866 -13.942 1.00 0.00 C ATOM 131 O ASN A 9 16.204 1.447 -14.163 1.00 0.00 O ATOM 132 CB ASN A 9 18.892 1.338 -15.790 1.00 0.00 C ATOM 133 CG ASN A 9 20.364 1.072 -16.071 1.00 0.00 C ATOM 134 OD1 ASN A 9 21.231 1.736 -15.509 1.00 0.00 O ATOM 135 ND2 ASN A 9 20.697 0.134 -16.907 1.00 0.00 N ATOM 0 H ASN A 9 17.526 -0.745 -14.599 1.00 0.00 H new ATOM 0 HA ASN A 9 19.398 1.343 -13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.275 0.713 -16.436 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.653 2.375 -16.027 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.681 -0.053 -17.098 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.974 -0.415 -17.372 1.00 0.00 H new ATOM 142 N PRO A 10 17.548 3.033 -13.414 1.00 0.00 N ATOM 143 CA PRO A 10 16.442 3.958 -13.041 1.00 0.00 C ATOM 144 C PRO A 10 15.803 4.514 -14.303 1.00 0.00 C ATOM 145 O PRO A 10 14.586 4.640 -14.393 1.00 0.00 O ATOM 146 CB PRO A 10 17.142 5.048 -12.245 1.00 0.00 C ATOM 147 CG PRO A 10 18.517 5.058 -12.800 1.00 0.00 C ATOM 148 CD PRO A 10 18.859 3.607 -13.098 1.00 0.00 C ATOM 0 HA PRO A 10 15.642 3.486 -12.471 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.652 6.014 -12.371 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.142 4.827 -11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.568 5.665 -13.704 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.222 5.487 -12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.554 3.517 -13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.322 3.115 -12.243 1.00 0.00 H new ATOM 156 N ARG A 11 16.643 4.787 -15.304 1.00 0.00 N ATOM 157 CA ARG A 11 16.143 5.252 -16.590 1.00 0.00 C ATOM 158 C ARG A 11 15.205 4.167 -17.074 1.00 0.00 C ATOM 159 O ARG A 11 14.030 4.396 -17.359 1.00 0.00 O ATOM 160 CB ARG A 11 17.287 5.423 -17.598 1.00 0.00 C ATOM 161 CG ARG A 11 18.459 6.184 -16.972 1.00 0.00 C ATOM 162 CD ARG A 11 19.625 6.204 -17.974 1.00 0.00 C ATOM 163 NE ARG A 11 20.462 7.382 -17.769 1.00 0.00 N ATOM 164 CZ ARG A 11 20.029 8.598 -18.079 1.00 0.00 C ATOM 165 NH1 ARG A 11 18.810 8.760 -18.521 1.00 0.00 N ATOM 166 NH2 ARG A 11 20.823 9.623 -17.937 1.00 0.00 N ATOM 0 H ARG A 11 17.657 4.695 -15.247 1.00 0.00 H new ATOM 0 HA ARG A 11 15.652 6.220 -16.492 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.625 4.445 -17.940 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.927 5.960 -18.475 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.158 7.201 -16.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.767 5.705 -16.043 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.225 5.301 -17.859 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.236 6.201 -18.992 1.00 0.00 H new ATOM 0 HE ARG A 11 21.398 7.269 -17.380 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.195 7.954 -18.627 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.474 9.693 -18.760 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.772 9.488 -17.589 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.495 10.559 -18.174 1.00 0.00 H new ATOM 180 N VAL A 12 15.755 2.960 -17.070 1.00 0.00 N ATOM 181 CA VAL A 12 15.021 1.761 -17.418 1.00 0.00 C ATOM 182 C VAL A 12 13.713 1.762 -16.647 1.00 0.00 C ATOM 183 O VAL A 12 12.647 1.422 -17.167 1.00 0.00 O ATOM 184 CB VAL A 12 15.877 0.555 -16.985 1.00 0.00 C ATOM 185 CG1 VAL A 12 15.005 -0.663 -16.668 1.00 0.00 C ATOM 186 CG2 VAL A 12 16.875 0.200 -18.087 1.00 0.00 C ATOM 0 H VAL A 12 16.730 2.789 -16.823 1.00 0.00 H new ATOM 0 HA VAL A 12 14.812 1.713 -18.487 1.00 0.00 H new ATOM 0 HB VAL A 12 16.415 0.834 -16.079 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.640 -1.496 -16.366 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.318 -0.418 -15.858 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.436 -0.943 -17.554 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.476 -0.653 -17.773 1.00 0.00 H new ATOM 0 HG22 VAL A 12 16.335 -0.053 -18.999 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.527 1.053 -18.276 1.00 0.00 H new ATOM 196 N ALA A 13 13.836 2.135 -15.387 1.00 0.00 N ATOM 197 CA ALA A 13 12.715 2.174 -14.484 1.00 0.00 C ATOM 198 C ALA A 13 11.756 3.297 -14.819 1.00 0.00 C ATOM 199 O ALA A 13 10.600 3.056 -15.168 1.00 0.00 O ATOM 200 CB ALA A 13 13.246 2.366 -13.061 1.00 0.00 C ATOM 0 H ALA A 13 14.720 2.419 -14.966 1.00 0.00 H new ATOM 0 HA ALA A 13 12.166 1.237 -14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.410 2.398 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.903 1.536 -12.803 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.803 3.301 -13.004 1.00 0.00 H new ATOM 206 N GLN A 14 12.234 4.519 -14.704 1.00 0.00 N ATOM 207 CA GLN A 14 11.402 5.667 -14.991 1.00 0.00 C ATOM 208 C GLN A 14 10.784 5.514 -16.370 1.00 0.00 C ATOM 209 O GLN A 14 9.636 5.884 -16.586 1.00 0.00 O ATOM 210 CB GLN A 14 12.229 6.946 -14.916 1.00 0.00 C ATOM 211 CG GLN A 14 12.852 7.082 -13.519 1.00 0.00 C ATOM 212 CD GLN A 14 14.157 7.867 -13.605 1.00 0.00 C ATOM 213 OE1 GLN A 14 14.302 8.916 -12.973 1.00 0.00 O ATOM 214 NE2 GLN A 14 15.127 7.416 -14.352 1.00 0.00 N ATOM 0 H GLN A 14 13.187 4.741 -14.416 1.00 0.00 H new ATOM 0 HA GLN A 14 10.605 5.729 -14.250 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.013 6.928 -15.673 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.599 7.810 -15.129 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.157 7.588 -12.849 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.039 6.094 -13.097 1.00 0.00 H new ATOM 0 HE21 GLN A 14 15.007 6.548 -14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 14 16.005 7.931 -14.413 1.00 0.00 H new ATOM 223 N ALA A 15 11.539 4.943 -17.295 1.00 0.00 N ATOM 224 CA ALA A 15 11.032 4.730 -18.641 1.00 0.00 C ATOM 225 C ALA A 15 9.836 3.783 -18.599 1.00 0.00 C ATOM 226 O ALA A 15 8.775 4.081 -19.143 1.00 0.00 O ATOM 227 CB ALA A 15 12.125 4.132 -19.528 1.00 0.00 C ATOM 0 H ALA A 15 12.495 4.622 -17.141 1.00 0.00 H new ATOM 0 HA ALA A 15 10.722 5.689 -19.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.733 3.977 -20.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.973 4.815 -19.570 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.448 3.177 -19.113 1.00 0.00 H new ATOM 233 N PHE A 16 10.021 2.641 -17.937 1.00 0.00 N ATOM 234 CA PHE A 16 8.956 1.649 -17.815 1.00 0.00 C ATOM 235 C PHE A 16 7.766 2.246 -17.104 1.00 0.00 C ATOM 236 O PHE A 16 6.679 2.322 -17.658 1.00 0.00 O ATOM 237 CB PHE A 16 9.426 0.448 -17.009 1.00 0.00 C ATOM 238 CG PHE A 16 8.271 -0.508 -16.791 1.00 0.00 C ATOM 239 CD1 PHE A 16 7.697 -1.172 -17.877 1.00 0.00 C ATOM 240 CD2 PHE A 16 7.833 -0.785 -15.491 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.693 -2.123 -17.666 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.821 -1.722 -15.281 1.00 0.00 C ATOM 243 CZ PHE A 16 6.258 -2.401 -16.369 1.00 0.00 C ATOM 0 H PHE A 16 10.895 2.382 -17.479 1.00 0.00 H new ATOM 0 HA PHE A 16 8.682 1.336 -18.822 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.236 -0.059 -17.534 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.824 0.776 -16.049 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.028 -0.951 -18.881 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.278 -0.273 -14.651 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.255 -2.642 -18.506 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.472 -1.924 -14.279 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.487 -3.140 -16.205 1.00 0.00 H new ATOM 253 N VAL A 17 7.975 2.656 -15.867 1.00 0.00 N ATOM 254 CA VAL A 17 6.893 3.234 -15.100 1.00 0.00 C ATOM 255 C VAL A 17 6.285 4.382 -15.882 1.00 0.00 C ATOM 256 O VAL A 17 5.072 4.523 -15.914 1.00 0.00 O ATOM 257 CB VAL A 17 7.395 3.705 -13.743 1.00 0.00 C ATOM 258 CG1 VAL A 17 8.212 2.579 -13.110 1.00 0.00 C ATOM 259 CG2 VAL A 17 8.265 4.940 -13.926 1.00 0.00 C ATOM 0 H VAL A 17 8.869 2.600 -15.380 1.00 0.00 H new ATOM 0 HA VAL A 17 6.127 2.479 -14.926 1.00 0.00 H new ATOM 0 HB VAL A 17 6.555 3.959 -13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.580 2.900 -12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.583 1.697 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.057 2.336 -13.755 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.625 5.278 -12.955 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.115 4.695 -14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.679 5.732 -14.392 1.00 0.00 H new ATOM 269 N ASP A 18 7.123 5.181 -16.545 1.00 0.00 N ATOM 270 CA ASP A 18 6.596 6.269 -17.349 1.00 0.00 C ATOM 271 C ASP A 18 5.749 5.645 -18.439 1.00 0.00 C ATOM 272 O ASP A 18 4.632 6.084 -18.718 1.00 0.00 O ATOM 273 CB ASP A 18 7.710 7.100 -17.985 1.00 0.00 C ATOM 274 CG ASP A 18 7.106 8.154 -18.904 1.00 0.00 C ATOM 275 OD1 ASP A 18 6.845 7.840 -20.049 1.00 0.00 O ATOM 276 OD2 ASP A 18 6.916 9.267 -18.451 1.00 0.00 O ATOM 0 H ASP A 18 8.139 5.095 -16.539 1.00 0.00 H new ATOM 0 HA ASP A 18 6.016 6.941 -16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.307 7.580 -17.209 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.382 6.453 -18.550 1.00 0.00 H new ATOM 281 N TYR A 19 6.287 4.577 -19.020 1.00 0.00 N ATOM 282 CA TYR A 19 5.580 3.835 -20.047 1.00 0.00 C ATOM 283 C TYR A 19 4.289 3.301 -19.429 1.00 0.00 C ATOM 284 O TYR A 19 3.189 3.567 -19.911 1.00 0.00 O ATOM 285 CB TYR A 19 6.453 2.676 -20.555 1.00 0.00 C ATOM 286 CG TYR A 19 5.575 1.486 -20.826 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.758 1.481 -21.955 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.555 0.407 -19.937 1.00 0.00 C ATOM 289 CE1 TYR A 19 3.917 0.398 -22.204 1.00 0.00 C ATOM 290 CE2 TYR A 19 4.715 -0.679 -20.186 1.00 0.00 C ATOM 291 CZ TYR A 19 3.895 -0.684 -21.322 1.00 0.00 C ATOM 292 OH TYR A 19 3.071 -1.753 -21.581 1.00 0.00 O ATOM 0 H TYR A 19 7.211 4.209 -18.794 1.00 0.00 H new ATOM 0 HA TYR A 19 5.352 4.478 -20.897 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.979 2.971 -21.463 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.212 2.423 -19.815 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.777 2.318 -22.638 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.187 0.414 -19.061 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.283 0.396 -23.078 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.697 -1.516 -19.503 1.00 0.00 H new ATOM 0 HH TYR A 19 3.371 -2.530 -21.065 1.00 0.00 H new ATOM 302 N MET A 20 4.437 2.575 -18.329 1.00 0.00 N ATOM 303 CA MET A 20 3.288 2.046 -17.617 1.00 0.00 C ATOM 304 C MET A 20 2.363 3.207 -17.299 1.00 0.00 C ATOM 305 O MET A 20 1.157 3.156 -17.538 1.00 0.00 O ATOM 306 CB MET A 20 3.746 1.360 -16.331 1.00 0.00 C ATOM 307 CG MET A 20 4.604 0.145 -16.684 1.00 0.00 C ATOM 308 SD MET A 20 3.970 -1.318 -15.833 1.00 0.00 S ATOM 309 CE MET A 20 2.279 -1.235 -16.429 1.00 0.00 C ATOM 0 H MET A 20 5.339 2.341 -17.914 1.00 0.00 H new ATOM 0 HA MET A 20 2.765 1.308 -18.225 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.317 2.057 -15.717 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.882 1.051 -15.743 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.595 -0.017 -17.762 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.640 0.324 -16.397 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.819 -2.220 -16.356 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.715 -0.525 -15.824 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.275 -0.909 -17.469 1.00 0.00 H new ATOM 319 N ALA A 21 2.957 4.275 -16.789 1.00 0.00 N ATOM 320 CA ALA A 21 2.212 5.476 -16.470 1.00 0.00 C ATOM 321 C ALA A 21 1.553 5.987 -17.737 1.00 0.00 C ATOM 322 O ALA A 21 0.457 6.537 -17.706 1.00 0.00 O ATOM 323 CB ALA A 21 3.158 6.528 -15.903 1.00 0.00 C ATOM 0 H ALA A 21 3.955 4.331 -16.588 1.00 0.00 H new ATOM 0 HA ALA A 21 1.447 5.260 -15.724 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.596 7.431 -15.663 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.630 6.143 -14.999 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.925 6.763 -16.641 1.00 0.00 H new ATOM 329 N THR A 22 2.214 5.753 -18.862 1.00 0.00 N ATOM 330 CA THR A 22 1.678 6.137 -20.136 1.00 0.00 C ATOM 331 C THR A 22 0.460 5.258 -20.369 1.00 0.00 C ATOM 332 O THR A 22 -0.584 5.716 -20.843 1.00 0.00 O ATOM 333 CB THR A 22 2.767 5.933 -21.195 1.00 0.00 C ATOM 334 OG1 THR A 22 3.071 7.178 -21.812 1.00 0.00 O ATOM 335 CG2 THR A 22 2.313 4.928 -22.245 1.00 0.00 C ATOM 0 H THR A 22 3.125 5.297 -18.906 1.00 0.00 H new ATOM 0 HA THR A 22 1.376 7.183 -20.183 1.00 0.00 H new ATOM 0 HB THR A 22 3.661 5.541 -20.709 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.769 7.047 -22.488 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.100 4.797 -22.988 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.103 3.971 -21.766 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.410 5.295 -22.734 1.00 0.00 H new ATOM 343 N GLN A 23 0.592 3.998 -19.953 1.00 0.00 N ATOM 344 CA GLN A 23 -0.509 3.053 -20.036 1.00 0.00 C ATOM 345 C GLN A 23 -1.545 3.457 -19.000 1.00 0.00 C ATOM 346 O GLN A 23 -2.584 2.819 -18.850 1.00 0.00 O ATOM 347 CB GLN A 23 -0.033 1.632 -19.725 1.00 0.00 C ATOM 348 CG GLN A 23 0.966 1.163 -20.783 1.00 0.00 C ATOM 349 CD GLN A 23 0.261 0.290 -21.815 1.00 0.00 C ATOM 350 OE1 GLN A 23 -0.670 -0.447 -21.480 1.00 0.00 O ATOM 351 NE2 GLN A 23 0.646 0.329 -23.054 1.00 0.00 N ATOM 0 H GLN A 23 1.450 3.614 -19.557 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.923 3.066 -21.044 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.431 1.604 -18.739 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.886 0.954 -19.695 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.421 2.024 -21.273 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.773 0.602 -20.310 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.416 0.939 -23.330 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.179 -0.250 -23.752 1.00 0.00 H new ATOM 360 N GLY A 24 -1.218 4.512 -18.265 1.00 0.00 N ATOM 361 CA GLY A 24 -2.077 5.005 -17.207 1.00 0.00 C ATOM 362 C GLY A 24 -1.810 4.205 -15.949 1.00 0.00 C ATOM 363 O GLY A 24 -2.457 4.386 -14.919 1.00 0.00 O ATOM 0 H GLY A 24 -0.356 5.043 -18.387 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.887 6.063 -17.029 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.124 4.914 -17.497 1.00 0.00 H new ATOM 367 N VAL A 25 -0.831 3.322 -16.061 1.00 0.00 N ATOM 368 CA VAL A 25 -0.422 2.469 -14.969 1.00 0.00 C ATOM 369 C VAL A 25 0.712 3.123 -14.225 1.00 0.00 C ATOM 370 O VAL A 25 1.820 3.269 -14.734 1.00 0.00 O ATOM 371 CB VAL A 25 0.016 1.133 -15.530 1.00 0.00 C ATOM 372 CG1 VAL A 25 0.011 0.120 -14.408 1.00 0.00 C ATOM 373 CG2 VAL A 25 -0.949 0.682 -16.641 1.00 0.00 C ATOM 0 H VAL A 25 -0.298 3.180 -16.919 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.251 2.314 -14.279 1.00 0.00 H new ATOM 0 HB VAL A 25 1.016 1.221 -15.955 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.324 -0.851 -14.793 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.700 0.440 -13.626 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.995 0.039 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.624 -0.280 -17.037 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.955 0.585 -16.232 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.953 1.421 -17.442 1.00 0.00 H new ATOM 383 N ILE A 26 0.404 3.560 -13.035 1.00 0.00 N ATOM 384 CA ILE A 26 1.362 4.266 -12.237 1.00 0.00 C ATOM 385 C ILE A 26 2.332 3.367 -11.485 1.00 0.00 C ATOM 386 O ILE A 26 1.987 2.774 -10.462 1.00 0.00 O ATOM 387 CB ILE A 26 0.624 5.137 -11.231 1.00 0.00 C ATOM 388 CG1 ILE A 26 -0.589 5.808 -11.893 1.00 0.00 C ATOM 389 CG2 ILE A 26 1.581 6.198 -10.723 1.00 0.00 C ATOM 390 CD1 ILE A 26 -1.821 4.912 -11.735 1.00 0.00 C ATOM 0 H ILE A 26 -0.509 3.438 -12.597 1.00 0.00 H new ATOM 0 HA ILE A 26 1.960 4.858 -12.930 1.00 0.00 H new ATOM 0 HB ILE A 26 0.268 4.522 -10.405 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.773 6.781 -11.437 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.388 5.984 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.069 6.833 -10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.435 5.719 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.927 6.806 -11.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.681 5.389 -12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.635 3.950 -12.212 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.026 4.758 -10.675 1.00 0.00 H new ATOM 402 N LEU A 27 3.573 3.368 -11.944 1.00 0.00 N ATOM 403 CA LEU A 27 4.635 2.657 -11.261 1.00 0.00 C ATOM 404 C LEU A 27 5.474 3.716 -10.592 1.00 0.00 C ATOM 405 O LEU A 27 5.036 4.857 -10.488 1.00 0.00 O ATOM 406 CB LEU A 27 5.518 1.863 -12.209 1.00 0.00 C ATOM 407 CG LEU A 27 4.991 0.447 -12.325 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.698 0.152 -13.782 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.052 -0.525 -11.815 1.00 0.00 C ATOM 0 H LEU A 27 3.868 3.856 -12.790 1.00 0.00 H new ATOM 0 HA LEU A 27 4.202 1.940 -10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.535 2.337 -13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.545 1.851 -11.843 1.00 0.00 H new ATOM 0 HG LEU A 27 4.081 0.337 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.318 -0.865 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.952 0.855 -14.153 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.613 0.254 -14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.679 -1.546 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.958 -0.421 -12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.278 -0.303 -10.772 1.00 0.00 H new ATOM 421 N THR A 28 6.678 3.366 -10.190 1.00 0.00 N ATOM 422 CA THR A 28 7.570 4.327 -9.573 1.00 0.00 C ATOM 423 C THR A 28 8.832 3.620 -9.119 1.00 0.00 C ATOM 424 O THR A 28 8.818 2.416 -8.867 1.00 0.00 O ATOM 425 CB THR A 28 6.908 5.001 -8.359 1.00 0.00 C ATOM 426 OG1 THR A 28 5.963 5.974 -8.787 1.00 0.00 O ATOM 427 CG2 THR A 28 7.964 5.700 -7.502 1.00 0.00 C ATOM 0 H THR A 28 7.062 2.425 -10.279 1.00 0.00 H new ATOM 0 HA THR A 28 7.807 5.095 -10.309 1.00 0.00 H new ATOM 0 HB THR A 28 6.406 4.228 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.728 5.812 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.483 6.173 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.691 4.967 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.472 6.458 -8.098 1.00 0.00 H new ATOM 435 N ILE A 29 9.909 4.375 -8.990 1.00 0.00 N ATOM 436 CA ILE A 29 11.162 3.811 -8.536 1.00 0.00 C ATOM 437 C ILE A 29 11.289 4.041 -7.032 1.00 0.00 C ATOM 438 O ILE A 29 11.159 5.178 -6.561 1.00 0.00 O ATOM 439 CB ILE A 29 12.339 4.456 -9.283 1.00 0.00 C ATOM 440 CG1 ILE A 29 11.840 5.162 -10.557 1.00 0.00 C ATOM 441 CG2 ILE A 29 13.343 3.375 -9.678 1.00 0.00 C ATOM 442 CD1 ILE A 29 11.193 4.141 -11.516 1.00 0.00 C ATOM 0 H ILE A 29 9.939 5.374 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 29 11.180 2.741 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 29 12.812 5.187 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.116 5.933 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.672 5.661 -11.054 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.179 3.831 -10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.711 2.875 -8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.857 2.646 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.845 4.654 -12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.928 3.385 -11.793 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.348 3.661 -11.021 1.00 0.00 H new ATOM 454 N GLN A 30 11.509 2.967 -6.286 1.00 0.00 N ATOM 455 CA GLN A 30 11.613 3.058 -4.834 1.00 0.00 C ATOM 456 C GLN A 30 13.070 3.164 -4.388 1.00 0.00 C ATOM 457 O GLN A 30 13.975 2.644 -5.043 1.00 0.00 O ATOM 458 CB GLN A 30 10.953 1.826 -4.198 1.00 0.00 C ATOM 459 CG GLN A 30 9.566 2.200 -3.648 1.00 0.00 C ATOM 460 CD GLN A 30 8.829 3.107 -4.631 1.00 0.00 C ATOM 461 OE1 GLN A 30 8.774 2.816 -5.823 1.00 0.00 O ATOM 462 NE2 GLN A 30 8.256 4.194 -4.202 1.00 0.00 N ATOM 0 H GLN A 30 11.619 2.024 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 30 11.099 3.961 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.858 1.031 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.581 1.441 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.983 1.296 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.673 2.705 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.300 4.438 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.762 4.802 -4.855 1.00 0.00 H new ATOM 471 N GLN A 31 13.281 3.857 -3.270 1.00 0.00 N ATOM 472 CA GLN A 31 14.622 4.052 -2.731 1.00 0.00 C ATOM 473 C GLN A 31 15.264 2.715 -2.380 1.00 0.00 C ATOM 474 O GLN A 31 14.684 1.910 -1.649 1.00 0.00 O ATOM 475 CB GLN A 31 14.550 4.938 -1.485 1.00 0.00 C ATOM 476 CG GLN A 31 15.959 5.370 -1.084 1.00 0.00 C ATOM 477 CD GLN A 31 15.997 6.881 -0.921 1.00 0.00 C ATOM 478 OE1 GLN A 31 16.408 7.384 0.124 1.00 0.00 O ATOM 479 NE2 GLN A 31 15.579 7.641 -1.892 1.00 0.00 N ATOM 0 H GLN A 31 12.539 4.292 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 31 15.235 4.538 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.933 5.814 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.078 4.395 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.248 4.885 -0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.677 5.057 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.239 7.222 -2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.592 8.656 -1.787 1.00 0.00 H new ATOM 488 N HIS A 32 16.458 2.482 -2.910 1.00 0.00 N ATOM 489 CA HIS A 32 17.180 1.233 -2.663 1.00 0.00 C ATOM 490 C HIS A 32 18.422 1.196 -3.534 1.00 0.00 C ATOM 491 O HIS A 32 18.539 1.981 -4.475 1.00 0.00 O ATOM 492 CB HIS A 32 16.292 0.036 -3.040 1.00 0.00 C ATOM 493 CG HIS A 32 16.079 -0.878 -1.859 1.00 0.00 C ATOM 494 ND1 HIS A 32 15.306 -2.026 -1.958 1.00 0.00 N ATOM 495 CD2 HIS A 32 16.513 -0.834 -0.557 1.00 0.00 C ATOM 496 CE1 HIS A 32 15.295 -2.617 -0.750 1.00 0.00 C ATOM 497 NE2 HIS A 32 16.019 -1.932 0.143 1.00 0.00 N ATOM 0 H HIS A 32 16.950 3.140 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 32 17.449 1.179 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.329 0.394 -3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.754 -0.521 -3.855 1.00 0.00 H new ATOM 0 HD1 HIS A 32 14.831 -2.361 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.143 -0.063 -0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.767 -3.532 -0.528 1.00 0.00 H new ATOM 505 N ASN A 33 19.330 0.264 -3.267 1.00 0.00 N ATOM 506 CA ASN A 33 20.520 0.148 -4.102 1.00 0.00 C ATOM 507 C ASN A 33 20.129 -0.545 -5.400 1.00 0.00 C ATOM 508 O ASN A 33 20.833 -1.418 -5.906 1.00 0.00 O ATOM 509 CB ASN A 33 21.625 -0.643 -3.400 1.00 0.00 C ATOM 510 CG ASN A 33 22.964 -0.383 -4.090 1.00 0.00 C ATOM 511 OD1 ASN A 33 23.276 -1.002 -5.108 1.00 0.00 O ATOM 512 ND2 ASN A 33 23.778 0.505 -3.599 1.00 0.00 N ATOM 0 H ASN A 33 19.270 -0.406 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 33 20.911 1.145 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 33 21.683 -0.352 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 33 21.394 -1.708 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 33 24.671 0.687 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 33 23.523 1.020 -2.756 1.00 0.00 H new ATOM 519 N GLN A 34 18.975 -0.154 -5.914 1.00 0.00 N ATOM 520 CA GLN A 34 18.436 -0.719 -7.136 1.00 0.00 C ATOM 521 C GLN A 34 17.149 0.010 -7.480 1.00 0.00 C ATOM 522 O GLN A 34 16.450 0.493 -6.587 1.00 0.00 O ATOM 523 CB GLN A 34 18.149 -2.217 -6.950 1.00 0.00 C ATOM 524 CG GLN A 34 17.538 -2.463 -5.566 1.00 0.00 C ATOM 525 CD GLN A 34 17.304 -3.953 -5.362 1.00 0.00 C ATOM 526 OE1 GLN A 34 18.259 -4.710 -5.168 1.00 0.00 O ATOM 527 NE2 GLN A 34 16.092 -4.424 -5.399 1.00 0.00 N ATOM 0 H GLN A 34 18.386 0.565 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 34 19.161 -0.604 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.466 -2.564 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 34 19.071 -2.789 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.203 -2.081 -4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 34 16.596 -1.922 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.305 -3.795 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.929 -5.422 -5.267 1.00 0.00 H new ATOM 536 N SER A 35 16.839 0.094 -8.760 1.00 0.00 N ATOM 537 CA SER A 35 15.630 0.777 -9.186 1.00 0.00 C ATOM 538 C SER A 35 14.396 -0.061 -8.886 1.00 0.00 C ATOM 539 O SER A 35 13.712 -0.515 -9.806 1.00 0.00 O ATOM 540 CB SER A 35 15.703 1.085 -10.680 1.00 0.00 C ATOM 541 OG SER A 35 17.060 1.050 -11.104 1.00 0.00 O ATOM 0 H SER A 35 17.400 -0.297 -9.517 1.00 0.00 H new ATOM 0 HA SER A 35 15.551 1.711 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.116 0.358 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.273 2.066 -10.882 1.00 0.00 H new ATOM 0 HG SER A 35 17.190 0.303 -11.725 1.00 0.00 H new ATOM 547 N ASP A 36 14.098 -0.253 -7.601 1.00 0.00 N ATOM 548 CA ASP A 36 12.909 -1.016 -7.239 1.00 0.00 C ATOM 549 C ASP A 36 11.715 -0.297 -7.814 1.00 0.00 C ATOM 550 O ASP A 36 11.522 0.895 -7.577 1.00 0.00 O ATOM 551 CB ASP A 36 12.756 -1.156 -5.725 1.00 0.00 C ATOM 552 CG ASP A 36 13.637 -2.283 -5.203 1.00 0.00 C ATOM 553 OD1 ASP A 36 13.516 -3.388 -5.693 1.00 0.00 O ATOM 554 OD2 ASP A 36 14.406 -2.033 -4.297 1.00 0.00 O ATOM 0 H ASP A 36 14.646 0.098 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 36 12.994 -2.026 -7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.027 -0.219 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.714 -1.356 -5.476 1.00 0.00 H new ATOM 559 N VAL A 37 10.942 -1.011 -8.599 1.00 0.00 N ATOM 560 CA VAL A 37 9.794 -0.432 -9.253 1.00 0.00 C ATOM 561 C VAL A 37 8.506 -0.861 -8.579 1.00 0.00 C ATOM 562 O VAL A 37 8.143 -2.046 -8.574 1.00 0.00 O ATOM 563 CB VAL A 37 9.780 -0.833 -10.728 1.00 0.00 C ATOM 564 CG1 VAL A 37 9.596 0.423 -11.581 1.00 0.00 C ATOM 565 CG2 VAL A 37 11.109 -1.504 -11.091 1.00 0.00 C ATOM 0 H VAL A 37 11.090 -2.000 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 37 9.866 0.653 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 37 8.963 -1.531 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.585 0.148 -12.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.653 0.904 -11.321 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.419 1.113 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.097 -1.789 -12.143 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.929 -0.808 -10.913 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.248 -2.393 -10.476 1.00 0.00 H new ATOM 575 N TRP A 38 7.822 0.111 -8.011 1.00 0.00 N ATOM 576 CA TRP A 38 6.572 -0.152 -7.334 1.00 0.00 C ATOM 577 C TRP A 38 5.403 0.284 -8.192 1.00 0.00 C ATOM 578 O TRP A 38 5.538 1.168 -9.036 1.00 0.00 O ATOM 579 CB TRP A 38 6.522 0.617 -6.018 1.00 0.00 C ATOM 580 CG TRP A 38 7.313 -0.093 -4.978 1.00 0.00 C ATOM 581 CD1 TRP A 38 8.614 -0.456 -5.060 1.00 0.00 C ATOM 582 CD2 TRP A 38 6.845 -0.526 -3.689 1.00 0.00 C ATOM 583 NE1 TRP A 38 8.971 -1.075 -3.870 1.00 0.00 N ATOM 584 CE2 TRP A 38 7.903 -1.151 -2.996 1.00 0.00 C ATOM 585 CE3 TRP A 38 5.603 -0.435 -3.075 1.00 0.00 C ATOM 586 CZ2 TRP A 38 7.723 -1.659 -1.711 1.00 0.00 C ATOM 587 CZ3 TRP A 38 5.410 -0.938 -1.799 1.00 0.00 C ATOM 588 CH2 TRP A 38 6.463 -1.558 -1.108 1.00 0.00 C ATOM 0 H TRP A 38 8.112 1.089 -8.005 1.00 0.00 H new ATOM 0 HA TRP A 38 6.506 -1.223 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.916 1.623 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.488 0.723 -5.690 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.264 -0.292 -5.907 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.905 -1.430 -3.666 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.781 0.032 -3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.545 -2.125 -1.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.440 -0.852 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.302 -1.955 -0.117 1.00 0.00 H new ATOM 599 N LEU A 39 4.246 -0.309 -7.941 1.00 0.00 N ATOM 600 CA LEU A 39 3.045 0.053 -8.662 1.00 0.00 C ATOM 601 C LEU A 39 2.148 0.835 -7.733 1.00 0.00 C ATOM 602 O LEU A 39 2.000 0.501 -6.555 1.00 0.00 O ATOM 603 CB LEU A 39 2.286 -1.175 -9.169 1.00 0.00 C ATOM 604 CG LEU A 39 0.933 -0.745 -9.742 1.00 0.00 C ATOM 605 CD1 LEU A 39 1.128 0.046 -11.037 1.00 0.00 C ATOM 606 CD2 LEU A 39 0.121 -1.983 -10.055 1.00 0.00 C ATOM 0 H LEU A 39 4.118 -1.042 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 39 3.334 0.646 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.870 -1.685 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.138 -1.885 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 39 0.422 -0.118 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.156 0.344 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.725 0.935 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.641 -0.577 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.846 -1.690 -10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.654 -2.593 -10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.031 -2.559 -9.142 1.00 0.00 H new ATOM 618 N ALA A 40 1.541 1.860 -8.274 1.00 0.00 N ATOM 619 CA ALA A 40 0.631 2.680 -7.512 1.00 0.00 C ATOM 620 C ALA A 40 -0.773 2.270 -7.894 1.00 0.00 C ATOM 621 O ALA A 40 -1.648 2.100 -7.046 1.00 0.00 O ATOM 622 CB ALA A 40 0.868 4.145 -7.836 1.00 0.00 C ATOM 0 H ALA A 40 1.661 2.149 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 40 0.784 2.546 -6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.179 4.761 -7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.894 4.412 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.702 4.314 -8.900 1.00 0.00 H new ATOM 628 N ASP A 41 -0.953 2.062 -9.191 1.00 0.00 N ATOM 629 CA ASP A 41 -2.229 1.614 -9.717 1.00 0.00 C ATOM 630 C ASP A 41 -2.412 0.151 -9.382 1.00 0.00 C ATOM 631 O ASP A 41 -2.579 -0.653 -10.276 1.00 0.00 O ATOM 632 CB ASP A 41 -2.266 1.760 -11.245 1.00 0.00 C ATOM 633 CG ASP A 41 -3.705 1.949 -11.717 1.00 0.00 C ATOM 634 OD1 ASP A 41 -4.602 1.464 -11.048 1.00 0.00 O ATOM 635 OD2 ASP A 41 -3.895 2.575 -12.739 1.00 0.00 O ATOM 0 H ASP A 41 -0.229 2.197 -9.897 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.019 2.221 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.659 2.612 -11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.834 0.876 -11.714 1.00 0.00 H new ATOM 640 N GLU A 42 -2.337 -0.198 -8.107 1.00 0.00 N ATOM 641 CA GLU A 42 -2.464 -1.593 -7.700 1.00 0.00 C ATOM 642 C GLU A 42 -3.478 -2.348 -8.549 1.00 0.00 C ATOM 643 O GLU A 42 -3.321 -3.546 -8.792 1.00 0.00 O ATOM 644 CB GLU A 42 -2.798 -1.669 -6.217 1.00 0.00 C ATOM 645 CG GLU A 42 -1.480 -1.565 -5.454 1.00 0.00 C ATOM 646 CD GLU A 42 -1.714 -1.145 -4.007 1.00 0.00 C ATOM 647 OE1 GLU A 42 -2.461 -1.818 -3.327 1.00 0.00 O ATOM 648 OE2 GLU A 42 -1.132 -0.156 -3.596 1.00 0.00 O ATOM 0 H GLU A 42 -2.190 0.458 -7.340 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.506 -2.086 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.473 -0.862 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.305 -2.605 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.966 -2.526 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.828 -0.842 -5.945 1.00 0.00 H new ATOM 655 N SER A 43 -4.473 -1.641 -9.046 1.00 0.00 N ATOM 656 CA SER A 43 -5.459 -2.250 -9.924 1.00 0.00 C ATOM 657 C SER A 43 -4.736 -2.900 -11.098 1.00 0.00 C ATOM 658 O SER A 43 -5.245 -3.804 -11.768 1.00 0.00 O ATOM 659 CB SER A 43 -6.363 -1.153 -10.464 1.00 0.00 C ATOM 660 OG SER A 43 -6.115 0.057 -9.751 1.00 0.00 O ATOM 0 H SER A 43 -4.622 -0.649 -8.860 1.00 0.00 H new ATOM 0 HA SER A 43 -6.041 -2.994 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.179 -1.006 -11.528 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.408 -1.443 -10.358 1.00 0.00 H new ATOM 0 HG SER A 43 -5.926 0.778 -10.387 1.00 0.00 H new ATOM 666 N GLN A 44 -3.555 -2.364 -11.340 1.00 0.00 N ATOM 667 CA GLN A 44 -2.688 -2.770 -12.424 1.00 0.00 C ATOM 668 C GLN A 44 -1.570 -3.694 -11.948 1.00 0.00 C ATOM 669 O GLN A 44 -0.802 -4.198 -12.756 1.00 0.00 O ATOM 670 CB GLN A 44 -2.063 -1.515 -13.017 1.00 0.00 C ATOM 671 CG GLN A 44 -3.102 -0.698 -13.792 1.00 0.00 C ATOM 672 CD GLN A 44 -3.825 -1.554 -14.831 1.00 0.00 C ATOM 673 OE1 GLN A 44 -3.366 -2.642 -15.174 1.00 0.00 O ATOM 674 NE2 GLN A 44 -4.933 -1.124 -15.363 1.00 0.00 N ATOM 0 H GLN A 44 -3.164 -1.614 -10.771 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.281 -3.316 -13.158 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.636 -0.906 -12.220 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.244 -1.791 -13.681 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.828 -0.277 -13.096 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.612 0.140 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.317 -0.222 -15.082 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.416 -1.689 -16.061 1.00 0.00 H new ATOM 683 N ALA A 45 -1.467 -3.889 -10.641 1.00 0.00 N ATOM 684 CA ALA A 45 -0.414 -4.740 -10.076 1.00 0.00 C ATOM 685 C ALA A 45 -0.172 -5.943 -10.952 1.00 0.00 C ATOM 686 O ALA A 45 0.864 -6.061 -11.603 1.00 0.00 O ATOM 687 CB ALA A 45 -0.856 -5.234 -8.709 1.00 0.00 C ATOM 0 H ALA A 45 -2.093 -3.475 -9.950 1.00 0.00 H new ATOM 0 HA ALA A 45 0.502 -4.154 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.078 -5.868 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.030 -4.381 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.777 -5.808 -8.810 1.00 0.00 H new ATOM 693 N GLU A 46 -1.159 -6.801 -10.969 1.00 0.00 N ATOM 694 CA GLU A 46 -1.133 -8.013 -11.764 1.00 0.00 C ATOM 695 C GLU A 46 -0.676 -7.707 -13.175 1.00 0.00 C ATOM 696 O GLU A 46 0.117 -8.439 -13.768 1.00 0.00 O ATOM 697 CB GLU A 46 -2.550 -8.550 -11.805 1.00 0.00 C ATOM 698 CG GLU A 46 -3.477 -7.439 -12.326 1.00 0.00 C ATOM 699 CD GLU A 46 -4.893 -7.649 -11.815 1.00 0.00 C ATOM 700 OE1 GLU A 46 -5.043 -7.950 -10.644 1.00 0.00 O ATOM 701 OE2 GLU A 46 -5.813 -7.503 -12.597 1.00 0.00 O ATOM 0 H GLU A 46 -2.015 -6.681 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.444 -8.737 -11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.605 -9.425 -12.453 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.863 -8.870 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.107 -6.466 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.474 -7.435 -13.416 1.00 0.00 H new ATOM 708 N ARG A 47 -1.186 -6.605 -13.687 1.00 0.00 N ATOM 709 CA ARG A 47 -0.854 -6.147 -15.018 1.00 0.00 C ATOM 710 C ARG A 47 0.605 -5.824 -15.079 1.00 0.00 C ATOM 711 O ARG A 47 1.382 -6.495 -15.734 1.00 0.00 O ATOM 712 CB ARG A 47 -1.650 -4.886 -15.325 1.00 0.00 C ATOM 713 CG ARG A 47 -1.851 -4.743 -16.825 1.00 0.00 C ATOM 714 CD ARG A 47 -1.480 -3.319 -17.204 1.00 0.00 C ATOM 715 NE ARG A 47 -2.475 -2.752 -18.122 1.00 0.00 N ATOM 716 CZ ARG A 47 -2.135 -1.991 -19.167 1.00 0.00 C ATOM 717 NH1 ARG A 47 -0.880 -1.792 -19.466 1.00 0.00 N ATOM 718 NH2 ARG A 47 -3.066 -1.458 -19.909 1.00 0.00 N ATOM 0 H ARG A 47 -1.842 -6.003 -13.191 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.093 -6.925 -15.743 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.617 -4.927 -14.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.126 -4.013 -14.936 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.229 -5.457 -17.365 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.886 -4.954 -17.095 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.413 -2.704 -16.307 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.496 -3.306 -17.673 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.463 -2.946 -17.956 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.147 -2.219 -18.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.632 -1.209 -20.266 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.049 -1.623 -19.691 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.811 -0.877 -20.707 1.00 0.00 H new ATOM 732 N VAL A 48 0.954 -4.798 -14.360 1.00 0.00 N ATOM 733 CA VAL A 48 2.311 -4.346 -14.273 1.00 0.00 C ATOM 734 C VAL A 48 3.227 -5.502 -13.954 1.00 0.00 C ATOM 735 O VAL A 48 4.179 -5.787 -14.681 1.00 0.00 O ATOM 736 CB VAL A 48 2.339 -3.309 -13.186 1.00 0.00 C ATOM 737 CG1 VAL A 48 3.722 -2.720 -13.096 1.00 0.00 C ATOM 738 CG2 VAL A 48 1.334 -2.242 -13.572 1.00 0.00 C ATOM 0 H VAL A 48 0.296 -4.245 -13.811 1.00 0.00 H new ATOM 0 HA VAL A 48 2.658 -3.924 -15.216 1.00 0.00 H new ATOM 0 HB VAL A 48 2.089 -3.737 -12.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.746 -1.967 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.439 -3.508 -12.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.983 -2.258 -14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.319 -1.464 -12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.617 -1.806 -14.530 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.343 -2.688 -13.655 1.00 0.00 H new ATOM 748 N ARG A 49 2.919 -6.175 -12.869 1.00 0.00 N ATOM 749 CA ARG A 49 3.707 -7.322 -12.470 1.00 0.00 C ATOM 750 C ARG A 49 3.850 -8.273 -13.652 1.00 0.00 C ATOM 751 O ARG A 49 4.896 -8.895 -13.848 1.00 0.00 O ATOM 752 CB ARG A 49 3.039 -8.071 -11.311 1.00 0.00 C ATOM 753 CG ARG A 49 3.865 -7.940 -10.050 1.00 0.00 C ATOM 754 CD ARG A 49 3.671 -9.220 -9.262 1.00 0.00 C ATOM 755 NE ARG A 49 4.474 -10.289 -9.853 1.00 0.00 N ATOM 756 CZ ARG A 49 5.052 -11.234 -9.118 1.00 0.00 C ATOM 757 NH1 ARG A 49 4.887 -11.252 -7.821 1.00 0.00 N ATOM 758 NH2 ARG A 49 5.761 -12.157 -9.705 1.00 0.00 N ATOM 0 H ARG A 49 2.138 -5.953 -12.252 1.00 0.00 H new ATOM 0 HA ARG A 49 4.685 -6.968 -12.144 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.039 -7.672 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.923 -9.124 -11.569 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.917 -7.791 -10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.546 -7.076 -9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.961 -9.066 -8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.618 -9.501 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 49 4.595 -10.311 -10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.313 -10.539 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.332 -11.979 -7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.868 -12.150 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.209 -12.886 -9.150 1.00 0.00 H new ATOM 772 N ALA A 50 2.781 -8.371 -14.436 1.00 0.00 N ATOM 773 CA ALA A 50 2.764 -9.231 -15.610 1.00 0.00 C ATOM 774 C ALA A 50 3.503 -8.547 -16.749 1.00 0.00 C ATOM 775 O ALA A 50 4.391 -9.133 -17.372 1.00 0.00 O ATOM 776 CB ALA A 50 1.315 -9.509 -16.020 1.00 0.00 C ATOM 0 H ALA A 50 1.912 -7.862 -14.277 1.00 0.00 H new ATOM 0 HA ALA A 50 3.257 -10.175 -15.379 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.303 -10.153 -16.899 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.794 -10.004 -15.201 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.816 -8.568 -16.252 1.00 0.00 H new ATOM 782 N GLU A 51 3.145 -7.291 -16.995 1.00 0.00 N ATOM 783 CA GLU A 51 3.779 -6.492 -18.034 1.00 0.00 C ATOM 784 C GLU A 51 5.243 -6.829 -18.118 1.00 0.00 C ATOM 785 O GLU A 51 5.718 -7.273 -19.141 1.00 0.00 O ATOM 786 CB GLU A 51 3.642 -5.006 -17.693 1.00 0.00 C ATOM 787 CG GLU A 51 2.196 -4.545 -17.924 1.00 0.00 C ATOM 788 CD GLU A 51 2.172 -3.320 -18.834 1.00 0.00 C ATOM 789 OE1 GLU A 51 3.065 -3.186 -19.650 1.00 0.00 O ATOM 790 OE2 GLU A 51 1.254 -2.536 -18.706 1.00 0.00 O ATOM 0 H GLU A 51 2.411 -6.802 -16.482 1.00 0.00 H new ATOM 0 HA GLU A 51 3.294 -6.706 -18.987 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.925 -4.835 -16.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.322 -4.419 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.617 -5.352 -18.373 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.726 -4.308 -16.970 1.00 0.00 H new ATOM 797 N LEU A 52 5.940 -6.602 -17.035 1.00 0.00 N ATOM 798 CA LEU A 52 7.363 -6.862 -16.973 1.00 0.00 C ATOM 799 C LEU A 52 7.790 -8.063 -17.793 1.00 0.00 C ATOM 800 O LEU A 52 8.269 -7.890 -18.906 1.00 0.00 O ATOM 801 CB LEU A 52 7.761 -6.984 -15.521 1.00 0.00 C ATOM 802 CG LEU A 52 7.425 -5.645 -14.869 1.00 0.00 C ATOM 803 CD1 LEU A 52 8.079 -5.543 -13.514 1.00 0.00 C ATOM 804 CD2 LEU A 52 7.938 -4.504 -15.752 1.00 0.00 C ATOM 0 H LEU A 52 5.543 -6.233 -16.171 1.00 0.00 H new ATOM 0 HA LEU A 52 7.891 -6.025 -17.429 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.221 -7.798 -15.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.824 -7.206 -15.427 1.00 0.00 H new ATOM 0 HG LEU A 52 6.343 -5.575 -14.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.830 -4.583 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.720 -6.349 -12.875 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.160 -5.623 -13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.698 -3.548 -15.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.018 -4.591 -15.867 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.463 -4.560 -16.731 1.00 0.00 H new ATOM 816 N ALA A 53 7.645 -9.267 -17.271 1.00 0.00 N ATOM 817 CA ALA A 53 8.071 -10.437 -18.036 1.00 0.00 C ATOM 818 C ALA A 53 7.728 -10.277 -19.513 1.00 0.00 C ATOM 819 O ALA A 53 8.340 -10.907 -20.361 1.00 0.00 O ATOM 820 CB ALA A 53 7.432 -11.706 -17.504 1.00 0.00 C ATOM 0 H ALA A 53 7.250 -9.464 -16.352 1.00 0.00 H new ATOM 0 HA ALA A 53 9.153 -10.517 -17.927 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.769 -12.558 -18.094 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.720 -11.849 -16.463 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.347 -11.623 -17.572 1.00 0.00 H new ATOM 826 N ARG A 54 6.783 -9.399 -19.815 1.00 0.00 N ATOM 827 CA ARG A 54 6.429 -9.128 -21.204 1.00 0.00 C ATOM 828 C ARG A 54 7.206 -7.894 -21.653 1.00 0.00 C ATOM 829 O ARG A 54 7.789 -7.853 -22.720 1.00 0.00 O ATOM 830 CB ARG A 54 4.921 -8.900 -21.336 1.00 0.00 C ATOM 831 CG ARG A 54 4.177 -10.088 -20.711 1.00 0.00 C ATOM 832 CD ARG A 54 2.900 -9.590 -20.035 1.00 0.00 C ATOM 833 NE ARG A 54 2.110 -10.704 -19.508 1.00 0.00 N ATOM 834 CZ ARG A 54 1.366 -11.466 -20.305 1.00 0.00 C ATOM 835 NH1 ARG A 54 1.485 -11.354 -21.601 1.00 0.00 N ATOM 836 NH2 ARG A 54 0.556 -12.348 -19.794 1.00 0.00 N ATOM 0 H ARG A 54 6.251 -8.866 -19.127 1.00 0.00 H new ATOM 0 HA ARG A 54 6.686 -9.979 -21.834 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.636 -7.973 -20.838 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.647 -8.795 -22.386 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.932 -10.822 -21.479 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.815 -10.588 -19.983 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.157 -8.908 -19.225 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.303 -9.024 -20.751 1.00 0.00 H new ATOM 0 HE ARG A 54 2.130 -10.900 -18.507 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.146 -10.685 -21.997 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.917 -11.936 -22.217 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.492 -12.455 -18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.014 -12.932 -20.406 1.00 0.00 H new ATOM 850 N PHE A 55 7.214 -6.912 -20.774 1.00 0.00 N ATOM 851 CA PHE A 55 7.907 -5.643 -20.954 1.00 0.00 C ATOM 852 C PHE A 55 9.399 -5.852 -21.109 1.00 0.00 C ATOM 853 O PHE A 55 10.108 -5.042 -21.699 1.00 0.00 O ATOM 854 CB PHE A 55 7.613 -4.802 -19.720 1.00 0.00 C ATOM 855 CG PHE A 55 8.775 -3.951 -19.329 1.00 0.00 C ATOM 856 CD1 PHE A 55 8.987 -2.735 -19.962 1.00 0.00 C ATOM 857 CD2 PHE A 55 9.617 -4.378 -18.312 1.00 0.00 C ATOM 858 CE1 PHE A 55 10.062 -1.933 -19.569 1.00 0.00 C ATOM 859 CE2 PHE A 55 10.690 -3.587 -17.917 1.00 0.00 C ATOM 860 CZ PHE A 55 10.916 -2.359 -18.545 1.00 0.00 C ATOM 0 H PHE A 55 6.722 -6.973 -19.882 1.00 0.00 H new ATOM 0 HA PHE A 55 7.562 -5.146 -21.861 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.748 -4.167 -19.912 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.349 -5.457 -18.890 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.326 -2.411 -20.752 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.439 -5.326 -17.827 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.234 -0.984 -20.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.347 -3.920 -17.127 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.747 -1.740 -18.241 1.00 0.00 H new ATOM 870 N LEU A 56 9.862 -6.924 -20.530 1.00 0.00 N ATOM 871 CA LEU A 56 11.271 -7.252 -20.545 1.00 0.00 C ATOM 872 C LEU A 56 11.689 -7.879 -21.858 1.00 0.00 C ATOM 873 O LEU A 56 12.544 -7.350 -22.571 1.00 0.00 O ATOM 874 CB LEU A 56 11.511 -8.187 -19.383 1.00 0.00 C ATOM 875 CG LEU A 56 10.899 -7.510 -18.175 1.00 0.00 C ATOM 876 CD1 LEU A 56 10.717 -8.515 -17.065 1.00 0.00 C ATOM 877 CD2 LEU A 56 11.784 -6.355 -17.750 1.00 0.00 C ATOM 0 H LEU A 56 9.279 -7.598 -20.033 1.00 0.00 H new ATOM 0 HA LEU A 56 11.874 -6.349 -20.447 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.051 -9.159 -19.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.577 -8.361 -19.235 1.00 0.00 H new ATOM 0 HG LEU A 56 9.915 -7.111 -18.423 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.276 -8.023 -16.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.058 -9.315 -17.403 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.685 -8.934 -16.791 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.348 -5.864 -16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.775 -6.730 -17.496 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.866 -5.639 -18.568 1.00 0.00 H new ATOM 889 N GLU A 57 11.076 -8.997 -22.180 1.00 0.00 N ATOM 890 CA GLU A 57 11.380 -9.685 -23.417 1.00 0.00 C ATOM 891 C GLU A 57 10.453 -9.215 -24.517 1.00 0.00 C ATOM 892 O GLU A 57 10.543 -9.694 -25.652 1.00 0.00 O ATOM 893 CB GLU A 57 11.213 -11.200 -23.250 1.00 0.00 C ATOM 894 CG GLU A 57 10.486 -11.525 -21.937 1.00 0.00 C ATOM 895 CD GLU A 57 10.441 -13.031 -21.723 1.00 0.00 C ATOM 896 OE1 GLU A 57 9.774 -13.696 -22.491 1.00 0.00 O ATOM 897 OE2 GLU A 57 11.081 -13.501 -20.803 1.00 0.00 O ATOM 0 H GLU A 57 10.365 -9.449 -21.604 1.00 0.00 H new ATOM 0 HA GLU A 57 12.414 -9.460 -23.679 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.651 -11.604 -24.092 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.191 -11.682 -23.259 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.997 -11.046 -21.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.473 -11.123 -21.964 1.00 0.00 H new ATOM 904 N ASN A 58 9.528 -8.322 -24.189 1.00 0.00 N ATOM 905 CA ASN A 58 8.579 -7.878 -25.209 1.00 0.00 C ATOM 906 C ASN A 58 7.941 -6.524 -24.911 1.00 0.00 C ATOM 907 O ASN A 58 6.721 -6.383 -24.991 1.00 0.00 O ATOM 908 CB ASN A 58 7.477 -8.925 -25.344 1.00 0.00 C ATOM 909 CG ASN A 58 7.334 -9.335 -26.803 1.00 0.00 C ATOM 910 OD1 ASN A 58 6.927 -8.530 -27.635 1.00 0.00 O ATOM 911 ND2 ASN A 58 7.662 -10.540 -27.167 1.00 0.00 N ATOM 0 H ASN A 58 9.413 -7.904 -23.266 1.00 0.00 H new ATOM 0 HA ASN A 58 9.144 -7.760 -26.134 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.713 -9.796 -24.733 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.533 -8.523 -24.975 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.581 -10.817 -28.145 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.000 -11.208 -26.474 1.00 0.00 H new ATOM 918 N PRO A 59 8.716 -5.522 -24.615 1.00 0.00 N ATOM 919 CA PRO A 59 8.165 -4.170 -24.363 1.00 0.00 C ATOM 920 C PRO A 59 7.533 -3.631 -25.635 1.00 0.00 C ATOM 921 O PRO A 59 7.285 -4.392 -26.574 1.00 0.00 O ATOM 922 CB PRO A 59 9.382 -3.330 -23.956 1.00 0.00 C ATOM 923 CG PRO A 59 10.575 -4.084 -24.447 1.00 0.00 C ATOM 924 CD PRO A 59 10.175 -5.558 -24.484 1.00 0.00 C ATOM 0 HA PRO A 59 7.390 -4.160 -23.596 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.337 -2.335 -24.400 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.421 -3.195 -22.875 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.871 -3.738 -25.437 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.429 -3.931 -23.787 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.639 -6.077 -25.322 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.482 -6.079 -23.577 1.00 0.00 H new ATOM 932 N ALA A 60 7.295 -2.331 -25.692 1.00 0.00 N ATOM 933 CA ALA A 60 6.711 -1.748 -26.890 1.00 0.00 C ATOM 934 C ALA A 60 5.257 -2.181 -27.030 1.00 0.00 C ATOM 935 O ALA A 60 4.364 -1.347 -27.199 1.00 0.00 O ATOM 936 CB ALA A 60 7.514 -2.209 -28.111 1.00 0.00 C ATOM 0 H ALA A 60 7.492 -1.670 -24.940 1.00 0.00 H new ATOM 0 HA ALA A 60 6.743 -0.661 -26.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.083 -1.777 -29.014 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.549 -1.882 -28.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.482 -3.296 -28.178 1.00 0.00 H new ATOM 942 N ASP A 61 5.027 -3.486 -26.943 1.00 0.00 N ATOM 943 CA ASP A 61 3.681 -4.033 -27.040 1.00 0.00 C ATOM 944 C ASP A 61 3.277 -4.605 -25.691 1.00 0.00 C ATOM 945 O ASP A 61 4.048 -4.559 -24.731 1.00 0.00 O ATOM 946 CB ASP A 61 3.624 -5.134 -28.105 1.00 0.00 C ATOM 947 CG ASP A 61 2.193 -5.340 -28.595 1.00 0.00 C ATOM 948 OD1 ASP A 61 1.279 -4.841 -27.962 1.00 0.00 O ATOM 949 OD2 ASP A 61 2.023 -5.998 -29.606 1.00 0.00 O ATOM 0 H ASP A 61 5.757 -4.185 -26.805 1.00 0.00 H new ATOM 0 HA ASP A 61 2.993 -3.237 -27.327 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.266 -4.868 -28.945 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.010 -6.066 -27.692 1.00 0.00 H new ATOM 954 N LEU A 62 2.072 -5.137 -25.615 1.00 0.00 N ATOM 955 CA LEU A 62 1.582 -5.708 -24.378 1.00 0.00 C ATOM 956 C LEU A 62 0.784 -6.970 -24.663 1.00 0.00 C ATOM 957 O LEU A 62 0.787 -7.484 -25.787 1.00 0.00 O ATOM 958 CB LEU A 62 0.694 -4.690 -23.660 1.00 0.00 C ATOM 959 CG LEU A 62 1.377 -4.202 -22.383 1.00 0.00 C ATOM 960 CD1 LEU A 62 0.483 -3.164 -21.711 1.00 0.00 C ATOM 961 CD2 LEU A 62 1.609 -5.379 -21.425 1.00 0.00 C ATOM 0 H LEU A 62 1.416 -5.185 -26.395 1.00 0.00 H new ATOM 0 HA LEU A 62 2.431 -5.962 -23.744 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.491 -3.845 -24.318 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.267 -5.143 -23.417 1.00 0.00 H new ATOM 0 HG LEU A 62 2.341 -3.759 -22.633 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.961 -2.809 -20.798 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.327 -2.325 -22.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.478 -3.616 -21.465 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.096 -5.020 -20.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.652 -5.832 -21.167 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.244 -6.122 -21.908 1.00 0.00 H new ATOM 973 N ASP A 63 0.096 -7.459 -23.642 1.00 0.00 N ATOM 974 CA ASP A 63 -0.720 -8.657 -23.774 1.00 0.00 C ATOM 975 C ASP A 63 -2.027 -8.476 -23.013 1.00 0.00 C ATOM 976 O ASP A 63 -2.986 -9.145 -23.340 1.00 0.00 O ATOM 977 CB ASP A 63 0.034 -9.863 -23.210 1.00 0.00 C ATOM 978 CG ASP A 63 -0.236 -11.129 -24.023 1.00 0.00 C ATOM 979 OD1 ASP A 63 -0.857 -11.039 -25.067 1.00 0.00 O ATOM 980 OD2 ASP A 63 0.192 -12.182 -23.581 1.00 0.00 O ATOM 0 H ASP A 63 0.087 -7.043 -22.711 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.935 -8.826 -24.829 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.104 -9.654 -23.206 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.263 -10.026 -22.174 1.00 0.00 H new TER 985 ASP A 63