USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 392 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: X 34 GLN : amide:sc= 0.231 X(o=0.23,f=-0.22) USER MOD Set 1.2: X 38 TYR OH : rot 110:sc= 0.00177 USER MOD Set 2.1: X 15 SER OG : rot 180:sc= 0.133 USER MOD Set 2.2: X 19 SER OG : rot 117:sc= 0.134 USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot 180:sc= -1.94! USER MOD Single : X 16 GLN :FLIP amide:sc= -1.88 F(o=-4.5!,f=-1.9) USER MOD Single : X 17 MET CE :methyl -166:sc= -0.171 (180deg=-0.633) USER MOD Single : X 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 23 SER OG : rot 180:sc= 0 USER MOD Single : X 30 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : X 35 THR OG1 : rot 83:sc= 1.3 USER MOD Single : X 36 LYS NZ :NH3+ -160:sc= -0.188 (180deg=-0.793) USER MOD Single : X 37 ASN : amide:sc= -0.909 K(o=-0.91,f=-1.6) USER MOD Single : X 46 THR OG1 : rot 119:sc= 2.09 USER MOD Single : X 48 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.2) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 56:sc= 0.832 USER MOD Single : X 51 LYS NZ :NH3+ -162:sc= -0.106 (180deg=-0.393) USER MOD Single : X 52 HIS :FLIP no HE2:sc= -0.368 F(o=-2.9!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 22.927 0.347 4.438 1.00 0.00 N ATOM 2 CA GLY X 1 22.063 0.219 3.242 1.00 0.00 C ATOM 3 C GLY X 1 22.860 -0.108 1.998 1.00 0.00 C ATOM 4 O GLY X 1 23.599 -1.093 1.969 1.00 0.00 O ATOM 0 H1 GLY X 1 22.341 0.571 5.267 1.00 0.00 H new ATOM 0 H2 GLY X 1 23.429 -0.549 4.601 1.00 0.00 H new ATOM 0 H3 GLY X 1 23.619 1.109 4.287 1.00 0.00 H new ATOM 0 HA2 GLY X 1 21.321 -0.561 3.413 1.00 0.00 H new ATOM 0 HA3 GLY X 1 21.517 1.150 3.088 1.00 0.00 H new ATOM 10 N SER X 2 22.728 0.722 0.972 1.00 0.00 N ATOM 11 CA SER X 2 23.459 0.515 -0.269 1.00 0.00 C ATOM 12 C SER X 2 24.516 1.599 -0.459 1.00 0.00 C ATOM 13 O SER X 2 24.185 2.760 -0.712 1.00 0.00 O ATOM 14 CB SER X 2 22.495 0.505 -1.459 1.00 0.00 C ATOM 15 OG SER X 2 23.177 0.240 -2.675 1.00 0.00 O ATOM 0 H SER X 2 22.123 1.543 0.975 1.00 0.00 H new ATOM 0 HA SER X 2 23.960 -0.451 -0.213 1.00 0.00 H new ATOM 0 HB2 SER X 2 21.725 -0.250 -1.300 1.00 0.00 H new ATOM 0 HB3 SER X 2 21.988 1.467 -1.527 1.00 0.00 H new ATOM 0 HG SER X 2 22.536 0.238 -3.416 1.00 0.00 H new ATOM 21 N PRO X 3 25.804 1.245 -0.298 1.00 0.00 N ATOM 22 CA PRO X 3 26.907 2.201 -0.424 1.00 0.00 C ATOM 23 C PRO X 3 27.134 2.640 -1.868 1.00 0.00 C ATOM 24 O PRO X 3 27.455 1.823 -2.730 1.00 0.00 O ATOM 25 CB PRO X 3 28.120 1.411 0.080 1.00 0.00 C ATOM 26 CG PRO X 3 27.764 -0.020 -0.137 1.00 0.00 C ATOM 27 CD PRO X 3 26.278 -0.103 0.061 1.00 0.00 C ATOM 0 HA PRO X 3 26.712 3.119 0.130 1.00 0.00 H new ATOM 0 HB2 PRO X 3 29.023 1.681 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO X 3 28.314 1.614 1.133 1.00 0.00 H new ATOM 0 HG2 PRO X 3 28.044 -0.346 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO X 3 28.290 -0.665 0.567 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.831 -0.867 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO X 3 26.024 -0.356 1.090 1.00 0.00 H new ATOM 35 N PRO X 4 26.960 3.937 -2.161 1.00 0.00 N ATOM 36 CA PRO X 4 27.135 4.466 -3.508 1.00 0.00 C ATOM 37 C PRO X 4 28.565 4.924 -3.779 1.00 0.00 C ATOM 38 O PRO X 4 28.783 5.898 -4.498 1.00 0.00 O ATOM 39 CB PRO X 4 26.175 5.654 -3.518 1.00 0.00 C ATOM 40 CG PRO X 4 26.136 6.142 -2.102 1.00 0.00 C ATOM 41 CD PRO X 4 26.553 4.988 -1.214 1.00 0.00 C ATOM 0 HA PRO X 4 26.938 3.721 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO X 4 26.523 6.435 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO X 4 25.184 5.356 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO X 4 26.808 6.990 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO X 4 25.135 6.485 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO X 4 27.373 5.269 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO X 4 25.732 4.656 -0.579 1.00 0.00 H new ATOM 49 N GLU X 5 29.517 4.285 -3.091 1.00 0.00 N ATOM 50 CA GLU X 5 30.928 4.678 -3.127 1.00 0.00 C ATOM 51 C GLU X 5 31.092 6.080 -2.536 1.00 0.00 C ATOM 52 O GLU X 5 32.172 6.672 -2.556 1.00 0.00 O ATOM 53 CB GLU X 5 31.493 4.600 -4.554 1.00 0.00 C ATOM 54 CG GLU X 5 33.013 4.562 -4.607 1.00 0.00 C ATOM 55 CD GLU X 5 33.542 4.374 -6.009 1.00 0.00 C ATOM 56 OE1 GLU X 5 33.279 3.315 -6.608 1.00 0.00 O ATOM 57 OE2 GLU X 5 34.217 5.290 -6.515 1.00 0.00 O ATOM 0 H GLU X 5 29.330 3.480 -2.493 1.00 0.00 H new ATOM 0 HA GLU X 5 31.501 3.977 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU X 5 31.099 3.710 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU X 5 31.139 5.460 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU X 5 33.410 5.489 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU X 5 33.375 3.751 -3.975 1.00 0.00 H new ATOM 64 N ALA X 6 30.031 6.532 -1.888 1.00 0.00 N ATOM 65 CA ALA X 6 30.033 7.777 -1.139 1.00 0.00 C ATOM 66 C ALA X 6 29.281 7.546 0.154 1.00 0.00 C ATOM 67 O ALA X 6 28.677 8.447 0.733 1.00 0.00 O ATOM 68 CB ALA X 6 29.407 8.900 -1.946 1.00 0.00 C ATOM 0 H ALA X 6 29.137 6.041 -1.867 1.00 0.00 H new ATOM 0 HA ALA X 6 31.057 8.080 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.422 9.820 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA X 6 29.973 9.046 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.377 8.642 -2.190 1.00 0.00 H new ATOM 74 N ASP X 7 29.369 6.305 0.596 1.00 0.00 N ATOM 75 CA ASP X 7 28.764 5.847 1.830 1.00 0.00 C ATOM 76 C ASP X 7 29.670 6.260 2.975 1.00 0.00 C ATOM 77 O ASP X 7 30.862 6.403 2.752 1.00 0.00 O ATOM 78 CB ASP X 7 28.651 4.316 1.763 1.00 0.00 C ATOM 79 CG ASP X 7 27.764 3.721 2.824 1.00 0.00 C ATOM 80 OD1 ASP X 7 26.545 3.958 2.780 1.00 0.00 O ATOM 81 OD2 ASP X 7 28.287 3.009 3.698 1.00 0.00 O ATOM 0 H ASP X 7 29.874 5.573 0.096 1.00 0.00 H new ATOM 0 HA ASP X 7 27.773 6.277 1.978 1.00 0.00 H new ATOM 0 HB2 ASP X 7 28.268 4.033 0.783 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.648 3.884 1.853 1.00 0.00 H new ATOM 86 N PRO X 8 29.162 6.436 4.211 1.00 0.00 N ATOM 87 CA PRO X 8 30.013 6.788 5.362 1.00 0.00 C ATOM 88 C PRO X 8 31.247 5.877 5.481 1.00 0.00 C ATOM 89 O PRO X 8 32.263 6.261 6.057 1.00 0.00 O ATOM 90 CB PRO X 8 29.083 6.591 6.561 1.00 0.00 C ATOM 91 CG PRO X 8 27.709 6.789 6.014 1.00 0.00 C ATOM 92 CD PRO X 8 27.746 6.284 4.597 1.00 0.00 C ATOM 0 HA PRO X 8 30.416 7.797 5.278 1.00 0.00 H new ATOM 0 HB2 PRO X 8 29.198 5.596 6.991 1.00 0.00 H new ATOM 0 HB3 PRO X 8 29.301 7.308 7.353 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.973 6.242 6.603 1.00 0.00 H new ATOM 0 HG3 PRO X 8 27.425 7.841 6.045 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.422 5.245 4.533 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.089 6.863 3.948 1.00 0.00 H new ATOM 100 N ARG X 9 31.155 4.694 4.875 1.00 0.00 N ATOM 101 CA ARG X 9 32.256 3.734 4.842 1.00 0.00 C ATOM 102 C ARG X 9 33.204 3.974 3.660 1.00 0.00 C ATOM 103 O ARG X 9 34.361 3.563 3.692 1.00 0.00 O ATOM 104 CB ARG X 9 31.692 2.321 4.731 1.00 0.00 C ATOM 105 CG ARG X 9 30.938 1.853 5.960 1.00 0.00 C ATOM 106 CD ARG X 9 31.850 1.779 7.169 1.00 0.00 C ATOM 107 NE ARG X 9 31.270 0.983 8.244 1.00 0.00 N ATOM 108 CZ ARG X 9 31.766 0.955 9.476 1.00 0.00 C ATOM 109 NH1 ARG X 9 32.836 1.677 9.768 1.00 0.00 N ATOM 110 NH2 ARG X 9 31.194 0.206 10.407 1.00 0.00 N ATOM 0 H ARG X 9 30.315 4.375 4.393 1.00 0.00 H new ATOM 0 HA ARG X 9 32.824 3.861 5.764 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.025 2.275 3.870 1.00 0.00 H new ATOM 0 HB3 ARG X 9 32.512 1.629 4.536 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.113 2.535 6.165 1.00 0.00 H new ATOM 0 HG3 ARG X 9 30.501 0.872 5.770 1.00 0.00 H new ATOM 0 HD2 ARG X 9 32.807 1.348 6.875 1.00 0.00 H new ATOM 0 HD3 ARG X 9 32.052 2.786 7.533 1.00 0.00 H new ATOM 0 HE ARG X 9 30.444 0.421 8.040 1.00 0.00 H new ATOM 0 HH11 ARG X 9 33.276 2.251 9.049 1.00 0.00 H new ATOM 0 HH12 ARG X 9 33.221 1.659 10.712 1.00 0.00 H new ATOM 0 HH21 ARG X 9 30.371 -0.351 10.179 1.00 0.00 H new ATOM 0 HH22 ARG X 9 31.577 0.186 11.352 1.00 0.00 H new ATOM 124 N LEU X 10 32.690 4.563 2.587 1.00 0.00 N ATOM 125 CA LEU X 10 33.461 4.760 1.373 1.00 0.00 C ATOM 126 C LEU X 10 34.025 6.171 1.316 1.00 0.00 C ATOM 127 O LEU X 10 35.177 6.357 0.954 1.00 0.00 O ATOM 128 CB LEU X 10 32.608 4.471 0.130 1.00 0.00 C ATOM 129 CG LEU X 10 32.442 2.987 -0.245 1.00 0.00 C ATOM 130 CD1 LEU X 10 33.786 2.352 -0.550 1.00 0.00 C ATOM 131 CD2 LEU X 10 31.741 2.208 0.854 1.00 0.00 C ATOM 0 H LEU X 10 31.734 4.914 2.537 1.00 0.00 H new ATOM 0 HA LEU X 10 34.294 4.057 1.386 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.618 4.899 0.286 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.050 4.992 -0.719 1.00 0.00 H new ATOM 0 HG LEU X 10 31.821 2.949 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU X 10 33.642 1.304 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU X 10 34.254 2.874 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU X 10 34.429 2.422 0.328 1.00 0.00 H new ATOM 0 HD21 LEU X 10 31.642 1.165 0.554 1.00 0.00 H new ATOM 0 HD22 LEU X 10 32.326 2.267 1.772 1.00 0.00 H new ATOM 0 HD23 LEU X 10 30.752 2.632 1.026 1.00 0.00 H new ATOM 143 N ILE X 11 33.291 7.142 1.855 1.00 0.00 N ATOM 144 CA ILE X 11 33.853 8.476 2.028 1.00 0.00 C ATOM 145 C ILE X 11 34.931 8.431 3.100 1.00 0.00 C ATOM 146 O ILE X 11 35.766 9.324 3.200 1.00 0.00 O ATOM 147 CB ILE X 11 32.792 9.535 2.403 1.00 0.00 C ATOM 148 CG1 ILE X 11 32.015 9.119 3.655 1.00 0.00 C ATOM 149 CG2 ILE X 11 31.846 9.780 1.240 1.00 0.00 C ATOM 150 CD1 ILE X 11 30.920 10.094 4.037 1.00 0.00 C ATOM 0 H ILE X 11 32.328 7.034 2.173 1.00 0.00 H new ATOM 0 HA ILE X 11 34.274 8.776 1.068 1.00 0.00 H new ATOM 0 HB ILE X 11 33.312 10.467 2.626 1.00 0.00 H new ATOM 0 HG12 ILE X 11 31.574 8.136 3.490 1.00 0.00 H new ATOM 0 HG13 ILE X 11 32.710 9.020 4.489 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.106 10.529 1.524 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.412 10.137 0.380 1.00 0.00 H new ATOM 0 HG23 ILE X 11 31.340 8.850 0.981 1.00 0.00 H new ATOM 0 HD11 ILE X 11 30.411 9.737 4.932 1.00 0.00 H new ATOM 0 HD12 ILE X 11 31.357 11.073 4.234 1.00 0.00 H new ATOM 0 HD13 ILE X 11 30.203 10.175 3.220 1.00 0.00 H new ATOM 162 N GLU X 12 34.967 7.320 3.823 1.00 0.00 N ATOM 163 CA GLU X 12 36.023 7.076 4.794 1.00 0.00 C ATOM 164 C GLU X 12 37.135 6.211 4.195 1.00 0.00 C ATOM 165 O GLU X 12 38.298 6.606 4.169 1.00 0.00 O ATOM 166 CB GLU X 12 35.459 6.401 6.048 1.00 0.00 C ATOM 167 CG GLU X 12 36.472 6.270 7.174 1.00 0.00 C ATOM 168 CD GLU X 12 35.909 5.562 8.381 1.00 0.00 C ATOM 169 OE1 GLU X 12 34.922 6.062 8.955 1.00 0.00 O ATOM 170 OE2 GLU X 12 36.451 4.506 8.752 1.00 0.00 O ATOM 0 H GLU X 12 34.276 6.573 3.755 1.00 0.00 H new ATOM 0 HA GLU X 12 36.446 8.042 5.070 1.00 0.00 H new ATOM 0 HB2 GLU X 12 34.603 6.973 6.405 1.00 0.00 H new ATOM 0 HB3 GLU X 12 35.092 5.409 5.783 1.00 0.00 H new ATOM 0 HG2 GLU X 12 37.344 5.725 6.812 1.00 0.00 H new ATOM 0 HG3 GLU X 12 36.815 7.262 7.467 1.00 0.00 H new ATOM 177 N SER X 13 36.792 4.960 3.895 1.00 0.00 N ATOM 178 CA SER X 13 37.783 3.955 3.517 1.00 0.00 C ATOM 179 C SER X 13 38.159 4.005 2.032 1.00 0.00 C ATOM 180 O SER X 13 39.260 3.601 1.659 1.00 0.00 O ATOM 181 CB SER X 13 37.249 2.564 3.879 1.00 0.00 C ATOM 182 OG SER X 13 38.195 1.547 3.600 1.00 0.00 O ATOM 0 H SER X 13 35.831 4.617 3.907 1.00 0.00 H new ATOM 0 HA SER X 13 38.696 4.173 4.071 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.990 2.539 4.937 1.00 0.00 H new ATOM 0 HB3 SER X 13 36.332 2.370 3.322 1.00 0.00 H new ATOM 0 HG SER X 13 37.820 0.675 3.845 1.00 0.00 H new ATOM 188 N LEU X 14 37.291 4.548 1.187 1.00 0.00 N ATOM 189 CA LEU X 14 37.614 4.668 -0.222 1.00 0.00 C ATOM 190 C LEU X 14 38.236 6.021 -0.458 1.00 0.00 C ATOM 191 O LEU X 14 39.230 6.145 -1.170 1.00 0.00 O ATOM 192 CB LEU X 14 36.354 4.467 -1.083 1.00 0.00 C ATOM 193 CG LEU X 14 36.546 4.456 -2.607 1.00 0.00 C ATOM 194 CD1 LEU X 14 36.507 5.862 -3.174 1.00 0.00 C ATOM 195 CD2 LEU X 14 37.850 3.775 -2.982 1.00 0.00 C ATOM 0 H LEU X 14 36.373 4.906 1.451 1.00 0.00 H new ATOM 0 HA LEU X 14 38.325 3.894 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.892 3.523 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.645 5.258 -0.836 1.00 0.00 H new ATOM 0 HG LEU X 14 35.721 3.890 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.646 5.823 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.543 6.319 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU X 14 37.304 6.457 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU X 14 37.964 3.779 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU X 14 38.684 4.310 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.840 2.746 -2.622 1.00 0.00 H new ATOM 207 N SER X 15 37.659 7.037 0.165 1.00 0.00 N ATOM 208 CA SER X 15 38.179 8.382 0.025 1.00 0.00 C ATOM 209 C SER X 15 39.600 8.486 0.579 1.00 0.00 C ATOM 210 O SER X 15 40.384 9.320 0.127 1.00 0.00 O ATOM 211 CB SER X 15 37.269 9.404 0.700 1.00 0.00 C ATOM 212 OG SER X 15 37.770 10.723 0.544 1.00 0.00 O ATOM 0 H SER X 15 36.839 6.955 0.766 1.00 0.00 H new ATOM 0 HA SER X 15 38.209 8.607 -1.041 1.00 0.00 H new ATOM 0 HB2 SER X 15 36.268 9.340 0.274 1.00 0.00 H new ATOM 0 HB3 SER X 15 37.179 9.170 1.761 1.00 0.00 H new ATOM 0 HG SER X 15 37.166 11.357 0.985 1.00 0.00 H new ATOM 218 N GLN X 16 39.941 7.594 1.513 1.00 0.00 N ATOM 219 CA GLN X 16 41.289 7.545 2.076 1.00 0.00 C ATOM 220 C GLN X 16 42.328 7.397 0.967 1.00 0.00 C ATOM 221 O GLN X 16 43.372 8.046 0.989 1.00 0.00 O ATOM 222 CB GLN X 16 41.400 6.380 3.077 1.00 0.00 C ATOM 223 CG GLN X 16 42.735 6.300 3.813 1.00 0.00 C ATOM 224 CD GLN X 16 43.796 5.495 3.073 1.00 0.00 C ATOM 225 OE1 GLN X 16 43.379 4.718 2.078 1.00 0.00 O flip ATOM 226 NE2 GLN X 16 44.976 5.557 3.411 1.00 0.00 N flip ATOM 0 H GLN X 16 39.301 6.897 1.894 1.00 0.00 H new ATOM 0 HA GLN X 16 41.482 8.480 2.602 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.600 6.472 3.812 1.00 0.00 H new ATOM 0 HB3 GLN X 16 41.237 5.443 2.544 1.00 0.00 H new ATOM 0 HG2 GLN X 16 43.109 7.310 3.980 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.572 5.854 4.794 1.00 0.00 H new ATOM 0 HE21 GLN X 16 45.255 6.166 4.180 1.00 0.00 H new ATOM 0 HE22 GLN X 16 45.676 4.999 2.922 1.00 0.00 H new ATOM 235 N MET X 17 42.046 6.524 0.009 1.00 0.00 N ATOM 236 CA MET X 17 42.970 6.276 -1.090 1.00 0.00 C ATOM 237 C MET X 17 42.604 7.091 -2.323 1.00 0.00 C ATOM 238 O MET X 17 43.472 7.430 -3.128 1.00 0.00 O ATOM 239 CB MET X 17 43.008 4.784 -1.431 1.00 0.00 C ATOM 240 CG MET X 17 41.649 4.104 -1.382 1.00 0.00 C ATOM 241 SD MET X 17 41.734 2.369 -1.846 1.00 0.00 S ATOM 242 CE MET X 17 42.192 2.503 -3.570 1.00 0.00 C ATOM 0 H MET X 17 41.186 5.976 -0.030 1.00 0.00 H new ATOM 0 HA MET X 17 43.962 6.590 -0.765 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.429 4.660 -2.429 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.680 4.280 -0.737 1.00 0.00 H new ATOM 0 HG2 MET X 17 41.240 4.188 -0.375 1.00 0.00 H new ATOM 0 HG3 MET X 17 40.962 4.623 -2.050 1.00 0.00 H new ATOM 0 HE1 MET X 17 42.044 1.542 -4.062 1.00 0.00 H new ATOM 0 HE2 MET X 17 41.572 3.257 -4.054 1.00 0.00 H new ATOM 0 HE3 MET X 17 43.240 2.792 -3.647 1.00 0.00 H new ATOM 252 N LEU X 18 41.322 7.409 -2.464 1.00 0.00 N ATOM 253 CA LEU X 18 40.845 8.192 -3.599 1.00 0.00 C ATOM 254 C LEU X 18 41.441 9.595 -3.578 1.00 0.00 C ATOM 255 O LEU X 18 41.764 10.161 -4.622 1.00 0.00 O ATOM 256 CB LEU X 18 39.317 8.282 -3.576 1.00 0.00 C ATOM 257 CG LEU X 18 38.683 8.937 -4.805 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.904 8.085 -6.041 1.00 0.00 C ATOM 259 CD2 LEU X 18 37.199 9.170 -4.579 1.00 0.00 C ATOM 0 H LEU X 18 40.593 7.136 -1.805 1.00 0.00 H new ATOM 0 HA LEU X 18 41.163 7.691 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.912 7.276 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU X 18 39.015 8.841 -2.690 1.00 0.00 H new ATOM 0 HG LEU X 18 39.164 9.902 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.445 8.569 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.974 7.969 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.452 7.104 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.765 9.636 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.705 8.216 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU X 18 37.060 9.825 -3.719 1.00 0.00 H new ATOM 271 N SER X 19 41.522 10.177 -2.389 1.00 0.00 N ATOM 272 CA SER X 19 42.003 11.543 -2.241 1.00 0.00 C ATOM 273 C SER X 19 43.513 11.588 -1.995 1.00 0.00 C ATOM 274 O SER X 19 44.097 12.668 -1.917 1.00 0.00 O ATOM 275 CB SER X 19 41.262 12.232 -1.093 1.00 0.00 C ATOM 276 OG SER X 19 39.853 12.135 -1.269 1.00 0.00 O ATOM 0 H SER X 19 41.261 9.724 -1.513 1.00 0.00 H new ATOM 0 HA SER X 19 41.805 12.072 -3.173 1.00 0.00 H new ATOM 0 HB2 SER X 19 41.547 11.776 -0.145 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.555 13.281 -1.043 1.00 0.00 H new ATOM 0 HG SER X 19 39.465 11.623 -0.528 1.00 0.00 H new ATOM 282 N MET X 20 44.143 10.423 -1.859 1.00 0.00 N ATOM 283 CA MET X 20 45.582 10.375 -1.605 1.00 0.00 C ATOM 284 C MET X 20 46.358 10.013 -2.868 1.00 0.00 C ATOM 285 O MET X 20 47.478 10.480 -3.069 1.00 0.00 O ATOM 286 CB MET X 20 45.900 9.372 -0.491 1.00 0.00 C ATOM 287 CG MET X 20 47.371 9.329 -0.106 1.00 0.00 C ATOM 288 SD MET X 20 47.973 10.909 0.523 1.00 0.00 S ATOM 289 CE MET X 20 49.708 10.534 0.769 1.00 0.00 C ATOM 0 H MET X 20 43.688 9.512 -1.919 1.00 0.00 H new ATOM 0 HA MET X 20 45.893 11.370 -1.287 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.310 9.623 0.391 1.00 0.00 H new ATOM 0 HB3 MET X 20 45.588 8.378 -0.810 1.00 0.00 H new ATOM 0 HG2 MET X 20 47.522 8.560 0.652 1.00 0.00 H new ATOM 0 HG3 MET X 20 47.962 9.040 -0.975 1.00 0.00 H new ATOM 0 HE1 MET X 20 50.219 11.415 1.157 1.00 0.00 H new ATOM 0 HE2 MET X 20 49.806 9.715 1.481 1.00 0.00 H new ATOM 0 HE3 MET X 20 50.156 10.244 -0.181 1.00 0.00 H new ATOM 299 N GLY X 21 45.766 9.185 -3.718 1.00 0.00 N ATOM 300 CA GLY X 21 46.437 8.793 -4.941 1.00 0.00 C ATOM 301 C GLY X 21 46.785 7.324 -4.957 1.00 0.00 C ATOM 302 O GLY X 21 47.882 6.940 -5.370 1.00 0.00 O ATOM 0 H GLY X 21 44.839 8.780 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.797 9.022 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY X 21 47.347 9.381 -5.058 1.00 0.00 H new ATOM 306 N PHE X 22 45.823 6.492 -4.582 1.00 0.00 N ATOM 307 CA PHE X 22 45.991 5.056 -4.634 1.00 0.00 C ATOM 308 C PHE X 22 44.863 4.464 -5.439 1.00 0.00 C ATOM 309 O PHE X 22 43.850 5.127 -5.669 1.00 0.00 O ATOM 310 CB PHE X 22 46.008 4.454 -3.230 1.00 0.00 C ATOM 311 CG PHE X 22 47.177 4.896 -2.404 1.00 0.00 C ATOM 312 CD1 PHE X 22 48.469 4.656 -2.835 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.986 5.550 -1.200 1.00 0.00 C ATOM 314 CE1 PHE X 22 49.550 5.057 -2.081 1.00 0.00 C ATOM 315 CE2 PHE X 22 48.065 5.955 -0.442 1.00 0.00 C ATOM 316 CZ PHE X 22 49.349 5.708 -0.885 1.00 0.00 C ATOM 0 H PHE X 22 44.913 6.796 -4.236 1.00 0.00 H new ATOM 0 HA PHE X 22 46.947 4.826 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE X 22 45.086 4.726 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE X 22 46.020 3.367 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE X 22 48.632 4.148 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.983 5.745 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE X 22 50.554 4.861 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE X 22 47.906 6.465 0.497 1.00 0.00 H new ATOM 0 HZ PHE X 22 50.195 6.025 -0.294 1.00 0.00 H new ATOM 326 N SER X 23 45.025 3.233 -5.869 1.00 0.00 N ATOM 327 CA SER X 23 43.996 2.591 -6.657 1.00 0.00 C ATOM 328 C SER X 23 43.950 1.108 -6.339 1.00 0.00 C ATOM 329 O SER X 23 44.850 0.584 -5.684 1.00 0.00 O ATOM 330 CB SER X 23 44.259 2.797 -8.154 1.00 0.00 C ATOM 331 OG SER X 23 44.340 4.177 -8.484 1.00 0.00 O ATOM 0 H SER X 23 45.850 2.661 -5.689 1.00 0.00 H new ATOM 0 HA SER X 23 43.035 3.041 -6.407 1.00 0.00 H new ATOM 0 HB2 SER X 23 45.188 2.300 -8.433 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.462 2.330 -8.732 1.00 0.00 H new ATOM 0 HG SER X 23 44.510 4.274 -9.444 1.00 0.00 H new ATOM 337 N ASP X 24 42.938 0.418 -6.847 1.00 0.00 N ATOM 338 CA ASP X 24 42.849 -1.019 -6.648 1.00 0.00 C ATOM 339 C ASP X 24 43.937 -1.737 -7.432 1.00 0.00 C ATOM 340 O ASP X 24 44.154 -1.469 -8.610 1.00 0.00 O ATOM 341 CB ASP X 24 41.462 -1.560 -7.030 1.00 0.00 C ATOM 342 CG ASP X 24 40.974 -1.104 -8.391 1.00 0.00 C ATOM 343 OD1 ASP X 24 41.612 -1.433 -9.406 1.00 0.00 O ATOM 344 OD2 ASP X 24 39.933 -0.427 -8.444 1.00 0.00 O ATOM 0 H ASP X 24 42.178 0.824 -7.392 1.00 0.00 H new ATOM 0 HA ASP X 24 42.997 -1.213 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.491 -2.649 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.741 -1.248 -6.274 1.00 0.00 H new ATOM 349 N GLU X 25 44.601 -2.676 -6.779 1.00 0.00 N ATOM 350 CA GLU X 25 45.636 -3.465 -7.434 1.00 0.00 C ATOM 351 C GLU X 25 44.997 -4.675 -8.114 1.00 0.00 C ATOM 352 O GLU X 25 45.315 -5.829 -7.811 1.00 0.00 O ATOM 353 CB GLU X 25 46.696 -3.900 -6.416 1.00 0.00 C ATOM 354 CG GLU X 25 47.925 -4.547 -7.033 1.00 0.00 C ATOM 355 CD GLU X 25 48.901 -5.027 -5.986 1.00 0.00 C ATOM 356 OE1 GLU X 25 49.540 -4.178 -5.340 1.00 0.00 O ATOM 357 OE2 GLU X 25 49.007 -6.253 -5.792 1.00 0.00 O ATOM 0 H GLU X 25 44.444 -2.912 -5.799 1.00 0.00 H new ATOM 0 HA GLU X 25 46.132 -2.859 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.009 -3.029 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.244 -4.601 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU X 25 47.618 -5.388 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.421 -3.831 -7.689 1.00 0.00 H new ATOM 364 N GLY X 26 44.030 -4.397 -8.975 1.00 0.00 N ATOM 365 CA GLY X 26 43.285 -5.454 -9.626 1.00 0.00 C ATOM 366 C GLY X 26 41.798 -5.169 -9.644 1.00 0.00 C ATOM 367 O GLY X 26 41.307 -4.458 -10.521 1.00 0.00 O ATOM 0 H GLY X 26 43.747 -3.452 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY X 26 43.644 -5.574 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY X 26 43.468 -6.397 -9.111 1.00 0.00 H new ATOM 371 N GLY X 27 41.086 -5.705 -8.662 1.00 0.00 N ATOM 372 CA GLY X 27 39.654 -5.478 -8.566 1.00 0.00 C ATOM 373 C GLY X 27 39.110 -5.903 -7.220 1.00 0.00 C ATOM 374 O GLY X 27 37.972 -6.357 -7.108 1.00 0.00 O ATOM 0 H GLY X 27 41.475 -6.295 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY X 27 39.441 -4.421 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.144 -6.030 -9.356 1.00 0.00 H new ATOM 378 N TRP X 28 39.956 -5.809 -6.206 1.00 0.00 N ATOM 379 CA TRP X 28 39.608 -6.241 -4.860 1.00 0.00 C ATOM 380 C TRP X 28 39.050 -5.098 -4.025 1.00 0.00 C ATOM 381 O TRP X 28 38.659 -5.318 -2.894 1.00 0.00 O ATOM 382 CB TRP X 28 40.848 -6.785 -4.146 1.00 0.00 C ATOM 383 CG TRP X 28 42.006 -5.848 -4.260 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.004 -5.899 -5.179 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.248 -4.676 -3.471 1.00 0.00 C ATOM 386 NE1 TRP X 28 43.854 -4.842 -5.006 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.411 -4.075 -3.967 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.590 -4.079 -2.393 1.00 0.00 C ATOM 389 CZ2 TRP X 28 43.933 -2.902 -3.426 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.106 -2.921 -1.854 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.265 -2.341 -2.372 1.00 0.00 C ATOM 0 H TRP X 28 40.900 -5.433 -6.291 1.00 0.00 H new ATOM 0 HA TRP X 28 38.846 -7.014 -4.961 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.618 -6.953 -3.094 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.118 -7.751 -4.571 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.111 -6.662 -5.936 1.00 0.00 H new ATOM 0 HE1 TRP X 28 44.687 -4.656 -5.565 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.690 -4.519 -1.988 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 44.831 -2.453 -3.824 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.606 -2.455 -1.018 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.643 -1.430 -1.931 1.00 0.00 H new ATOM 402 N LEU X 29 39.217 -3.861 -4.488 1.00 0.00 N ATOM 403 CA LEU X 29 38.930 -2.699 -3.642 1.00 0.00 C ATOM 404 C LEU X 29 37.487 -2.704 -3.121 1.00 0.00 C ATOM 405 O LEU X 29 37.228 -2.256 -2.007 1.00 0.00 O ATOM 406 CB LEU X 29 39.279 -1.400 -4.381 1.00 0.00 C ATOM 407 CG LEU X 29 38.623 -0.127 -3.850 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.164 0.224 -2.472 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.845 1.018 -4.821 1.00 0.00 C ATOM 0 H LEU X 29 39.544 -3.636 -5.428 1.00 0.00 H new ATOM 0 HA LEU X 29 39.566 -2.761 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.360 -1.267 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.003 -1.517 -5.429 1.00 0.00 H new ATOM 0 HG LEU X 29 37.551 -0.302 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.683 1.134 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU X 29 38.957 -0.593 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.241 0.383 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.373 1.921 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.914 1.191 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.407 0.766 -5.787 1.00 0.00 H new ATOM 421 N THR X 30 36.596 -3.372 -3.829 1.00 0.00 N ATOM 422 CA THR X 30 35.261 -3.594 -3.303 1.00 0.00 C ATOM 423 C THR X 30 35.255 -4.805 -2.359 1.00 0.00 C ATOM 424 O THR X 30 34.702 -4.751 -1.260 1.00 0.00 O ATOM 425 CB THR X 30 34.266 -3.800 -4.449 1.00 0.00 C ATOM 426 OG1 THR X 30 34.647 -4.901 -5.259 1.00 0.00 O ATOM 427 CG2 THR X 30 34.134 -2.593 -5.354 1.00 0.00 C ATOM 0 H THR X 30 36.767 -3.765 -4.755 1.00 0.00 H new ATOM 0 HA THR X 30 34.957 -2.714 -2.737 1.00 0.00 H new ATOM 0 HB THR X 30 33.307 -3.980 -3.964 1.00 0.00 H new ATOM 0 HG1 THR X 30 33.997 -5.015 -5.983 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.414 -2.807 -6.144 1.00 0.00 H new ATOM 0 HG22 THR X 30 33.791 -1.738 -4.772 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.102 -2.364 -5.799 1.00 0.00 H new ATOM 435 N ARG X 31 35.846 -5.903 -2.825 1.00 0.00 N ATOM 436 CA ARG X 31 35.884 -7.161 -2.079 1.00 0.00 C ATOM 437 C ARG X 31 36.591 -7.007 -0.735 1.00 0.00 C ATOM 438 O ARG X 31 36.027 -7.334 0.310 1.00 0.00 O ATOM 439 CB ARG X 31 36.601 -8.234 -2.904 1.00 0.00 C ATOM 440 CG ARG X 31 36.294 -8.173 -4.391 1.00 0.00 C ATOM 441 CD ARG X 31 36.916 -9.345 -5.138 1.00 0.00 C ATOM 442 NE ARG X 31 36.783 -9.213 -6.590 1.00 0.00 N ATOM 443 CZ ARG X 31 35.622 -9.232 -7.245 1.00 0.00 C ATOM 444 NH1 ARG X 31 34.484 -9.415 -6.586 1.00 0.00 N ATOM 445 NH2 ARG X 31 35.598 -9.074 -8.558 1.00 0.00 N ATOM 0 H ARG X 31 36.313 -5.947 -3.731 1.00 0.00 H new ATOM 0 HA ARG X 31 34.853 -7.457 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.677 -8.131 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.322 -9.217 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG X 31 35.214 -8.176 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG X 31 36.670 -7.237 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG X 31 37.972 -9.420 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG X 31 36.442 -10.272 -4.815 1.00 0.00 H new ATOM 0 HE ARG X 31 37.636 -9.099 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG X 31 34.495 -9.542 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG X 31 33.598 -9.429 -7.092 1.00 0.00 H new ATOM 0 HH21 ARG X 31 36.469 -8.937 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG X 31 34.709 -9.089 -9.057 1.00 0.00 H new ATOM 459 N LEU X 32 37.846 -6.567 -0.788 1.00 0.00 N ATOM 460 CA LEU X 32 38.691 -6.424 0.395 1.00 0.00 C ATOM 461 C LEU X 32 37.971 -5.642 1.493 1.00 0.00 C ATOM 462 O LEU X 32 37.898 -6.093 2.638 1.00 0.00 O ATOM 463 CB LEU X 32 39.996 -5.718 -0.014 1.00 0.00 C ATOM 464 CG LEU X 32 41.185 -5.833 0.952 1.00 0.00 C ATOM 465 CD1 LEU X 32 40.980 -4.974 2.188 1.00 0.00 C ATOM 466 CD2 LEU X 32 41.428 -7.285 1.337 1.00 0.00 C ATOM 0 H LEU X 32 38.308 -6.298 -1.657 1.00 0.00 H new ATOM 0 HA LEU X 32 38.919 -7.410 0.799 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.306 -6.114 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU X 32 39.778 -4.660 -0.158 1.00 0.00 H new ATOM 0 HG LEU X 32 42.070 -5.462 0.435 1.00 0.00 H new ATOM 0 HD11 LEU X 32 41.839 -5.079 2.850 1.00 0.00 H new ATOM 0 HD12 LEU X 32 40.875 -3.930 1.892 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.079 -5.296 2.710 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.274 -7.343 2.021 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.539 -7.686 1.824 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.645 -7.867 0.442 1.00 0.00 H new ATOM 478 N LEU X 33 37.435 -4.479 1.138 1.00 0.00 N ATOM 479 CA LEU X 33 36.715 -3.649 2.097 1.00 0.00 C ATOM 480 C LEU X 33 35.478 -4.364 2.628 1.00 0.00 C ATOM 481 O LEU X 33 35.396 -4.638 3.817 1.00 0.00 O ATOM 482 CB LEU X 33 36.328 -2.300 1.483 1.00 0.00 C ATOM 483 CG LEU X 33 37.425 -1.225 1.499 1.00 0.00 C ATOM 484 CD1 LEU X 33 38.664 -1.676 0.742 1.00 0.00 C ATOM 485 CD2 LEU X 33 36.900 0.070 0.908 1.00 0.00 C ATOM 0 H LEU X 33 37.485 -4.091 0.196 1.00 0.00 H new ATOM 0 HA LEU X 33 37.388 -3.463 2.934 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.021 -2.466 0.450 1.00 0.00 H new ATOM 0 HB3 LEU X 33 35.459 -1.915 2.016 1.00 0.00 H new ATOM 0 HG LEU X 33 37.709 -1.060 2.538 1.00 0.00 H new ATOM 0 HD11 LEU X 33 39.417 -0.889 0.776 1.00 0.00 H new ATOM 0 HD12 LEU X 33 39.063 -2.580 1.202 1.00 0.00 H new ATOM 0 HD13 LEU X 33 38.401 -1.883 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU X 33 37.687 0.823 0.925 1.00 0.00 H new ATOM 0 HD22 LEU X 33 36.584 -0.101 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU X 33 36.050 0.420 1.495 1.00 0.00 H new ATOM 497 N GLN X 34 34.515 -4.641 1.749 1.00 0.00 N ATOM 498 CA GLN X 34 33.259 -5.297 2.139 1.00 0.00 C ATOM 499 C GLN X 34 33.469 -6.468 3.103 1.00 0.00 C ATOM 500 O GLN X 34 32.685 -6.654 4.034 1.00 0.00 O ATOM 501 CB GLN X 34 32.515 -5.799 0.904 1.00 0.00 C ATOM 502 CG GLN X 34 31.305 -4.958 0.522 1.00 0.00 C ATOM 503 CD GLN X 34 31.656 -3.772 -0.353 1.00 0.00 C ATOM 504 OE1 GLN X 34 32.031 -3.933 -1.515 1.00 0.00 O ATOM 505 NE2 GLN X 34 31.539 -2.571 0.195 1.00 0.00 N ATOM 0 H GLN X 34 34.578 -4.421 0.755 1.00 0.00 H new ATOM 0 HA GLN X 34 32.670 -4.541 2.658 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.207 -5.824 0.062 1.00 0.00 H new ATOM 0 HB3 GLN X 34 32.190 -6.824 1.081 1.00 0.00 H new ATOM 0 HG2 GLN X 34 30.584 -5.586 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN X 34 30.818 -4.601 1.429 1.00 0.00 H new ATOM 0 HE21 GLN X 34 31.225 -2.480 1.161 1.00 0.00 H new ATOM 0 HE22 GLN X 34 31.763 -1.738 -0.349 1.00 0.00 H new ATOM 514 N THR X 35 34.472 -7.294 2.836 1.00 0.00 N ATOM 515 CA THR X 35 34.710 -8.489 3.641 1.00 0.00 C ATOM 516 C THR X 35 35.089 -8.139 5.083 1.00 0.00 C ATOM 517 O THR X 35 34.523 -8.689 6.027 1.00 0.00 O ATOM 518 CB THR X 35 35.806 -9.347 3.001 1.00 0.00 C ATOM 519 OG1 THR X 35 35.516 -9.606 1.639 1.00 0.00 O ATOM 520 CG2 THR X 35 36.000 -10.686 3.682 1.00 0.00 C ATOM 0 H THR X 35 35.133 -7.161 2.071 1.00 0.00 H new ATOM 0 HA THR X 35 33.779 -9.055 3.673 1.00 0.00 H new ATOM 0 HB THR X 35 36.720 -8.762 3.110 1.00 0.00 H new ATOM 0 HG1 THR X 35 35.806 -8.846 1.093 1.00 0.00 H new ATOM 0 HG21 THR X 35 36.791 -11.240 3.177 1.00 0.00 H new ATOM 0 HG22 THR X 35 36.277 -10.527 4.724 1.00 0.00 H new ATOM 0 HG23 THR X 35 35.072 -11.255 3.636 1.00 0.00 H new ATOM 528 N LYS X 36 36.085 -7.280 5.249 1.00 0.00 N ATOM 529 CA LYS X 36 36.575 -6.933 6.582 1.00 0.00 C ATOM 530 C LYS X 36 35.893 -5.681 7.132 1.00 0.00 C ATOM 531 O LYS X 36 36.559 -4.814 7.701 1.00 0.00 O ATOM 532 CB LYS X 36 38.091 -6.733 6.578 1.00 0.00 C ATOM 533 CG LYS X 36 38.895 -7.980 6.247 1.00 0.00 C ATOM 534 CD LYS X 36 39.191 -8.091 4.760 1.00 0.00 C ATOM 535 CE LYS X 36 40.155 -9.229 4.473 1.00 0.00 C ATOM 536 NZ LYS X 36 41.404 -9.116 5.279 1.00 0.00 N ATOM 0 H LYS X 36 36.570 -6.811 4.484 1.00 0.00 H new ATOM 0 HA LYS X 36 36.328 -7.771 7.234 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.339 -5.955 5.856 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.398 -6.368 7.558 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.833 -7.965 6.803 1.00 0.00 H new ATOM 0 HG3 LYS X 36 38.345 -8.863 6.574 1.00 0.00 H new ATOM 0 HD2 LYS X 36 38.262 -8.252 4.213 1.00 0.00 H new ATOM 0 HD3 LYS X 36 39.614 -7.153 4.400 1.00 0.00 H new ATOM 0 HE2 LYS X 36 39.668 -10.180 4.689 1.00 0.00 H new ATOM 0 HE3 LYS X 36 40.406 -9.233 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 42.156 -9.680 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 41.699 -8.120 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 41.229 -9.469 6.242 1.00 0.00 H new ATOM 550 N ASN X 37 34.576 -5.570 6.895 1.00 0.00 N ATOM 551 CA ASN X 37 33.776 -4.397 7.297 1.00 0.00 C ATOM 552 C ASN X 37 34.489 -3.088 6.978 1.00 0.00 C ATOM 553 O ASN X 37 34.597 -2.194 7.824 1.00 0.00 O ATOM 554 CB ASN X 37 33.338 -4.441 8.781 1.00 0.00 C ATOM 555 CG ASN X 37 34.455 -4.729 9.771 1.00 0.00 C ATOM 556 OD1 ASN X 37 34.902 -5.870 9.905 1.00 0.00 O ATOM 557 ND2 ASN X 37 34.908 -3.701 10.475 1.00 0.00 N ATOM 0 H ASN X 37 34.033 -6.291 6.419 1.00 0.00 H new ATOM 0 HA ASN X 37 32.865 -4.441 6.699 1.00 0.00 H new ATOM 0 HB2 ASN X 37 32.882 -3.485 9.038 1.00 0.00 H new ATOM 0 HB3 ASN X 37 32.567 -5.203 8.894 1.00 0.00 H new ATOM 0 HD21 ASN X 37 35.653 -3.839 11.157 1.00 0.00 H new ATOM 0 HD22 ASN X 37 34.511 -2.772 10.334 1.00 0.00 H new ATOM 564 N TYR X 38 34.927 -2.990 5.725 1.00 0.00 N ATOM 565 CA TYR X 38 35.604 -1.810 5.184 1.00 0.00 C ATOM 566 C TYR X 38 36.932 -1.576 5.883 1.00 0.00 C ATOM 567 O TYR X 38 37.065 -0.695 6.734 1.00 0.00 O ATOM 568 CB TYR X 38 34.704 -0.573 5.257 1.00 0.00 C ATOM 569 CG TYR X 38 33.371 -0.781 4.574 1.00 0.00 C ATOM 570 CD1 TYR X 38 32.318 -1.396 5.237 1.00 0.00 C ATOM 571 CD2 TYR X 38 33.174 -0.389 3.259 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.110 -1.612 4.613 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.964 -0.598 2.629 1.00 0.00 C ATOM 574 CZ TYR X 38 30.937 -1.210 3.311 1.00 0.00 C ATOM 575 OH TYR X 38 29.732 -1.421 2.687 1.00 0.00 O ATOM 0 H TYR X 38 34.820 -3.741 5.043 1.00 0.00 H new ATOM 0 HA TYR X 38 35.815 -1.997 4.131 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.536 -0.312 6.302 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.216 0.272 4.796 1.00 0.00 H new ATOM 0 HD1 TYR X 38 32.449 -1.711 6.262 1.00 0.00 H new ATOM 0 HD2 TYR X 38 33.979 0.087 2.719 1.00 0.00 H new ATOM 0 HE1 TYR X 38 30.303 -2.095 5.144 1.00 0.00 H new ATOM 0 HE2 TYR X 38 31.824 -0.283 1.606 1.00 0.00 H new ATOM 0 HH TYR X 38 29.279 -0.563 2.552 1.00 0.00 H new ATOM 585 N ASP X 39 37.895 -2.426 5.557 1.00 0.00 N ATOM 586 CA ASP X 39 39.203 -2.385 6.196 1.00 0.00 C ATOM 587 C ASP X 39 40.203 -1.617 5.348 1.00 0.00 C ATOM 588 O ASP X 39 40.617 -2.094 4.294 1.00 0.00 O ATOM 589 CB ASP X 39 39.727 -3.802 6.413 1.00 0.00 C ATOM 590 CG ASP X 39 40.584 -3.925 7.649 1.00 0.00 C ATOM 591 OD1 ASP X 39 41.589 -3.204 7.752 1.00 0.00 O ATOM 592 OD2 ASP X 39 40.248 -4.749 8.522 1.00 0.00 O ATOM 0 H ASP X 39 37.795 -3.155 4.851 1.00 0.00 H new ATOM 0 HA ASP X 39 39.087 -1.879 7.155 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.884 -4.488 6.491 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.307 -4.107 5.542 1.00 0.00 H new ATOM 597 N ILE X 40 40.716 -0.521 5.885 1.00 0.00 N ATOM 598 CA ILE X 40 41.812 0.185 5.246 1.00 0.00 C ATOM 599 C ILE X 40 43.136 -0.375 5.731 1.00 0.00 C ATOM 600 O ILE X 40 44.169 -0.199 5.095 1.00 0.00 O ATOM 601 CB ILE X 40 41.794 1.714 5.497 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.087 2.071 6.816 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.147 2.436 4.327 1.00 0.00 C ATOM 604 CD1 ILE X 40 39.586 2.259 6.690 1.00 0.00 C ATOM 0 H ILE X 40 40.392 -0.104 6.758 1.00 0.00 H new ATOM 0 HA ILE X 40 41.688 0.032 4.174 1.00 0.00 H new ATOM 0 HB ILE X 40 42.829 2.045 5.585 1.00 0.00 H new ATOM 0 HG12 ILE X 40 41.283 1.284 7.544 1.00 0.00 H new ATOM 0 HG13 ILE X 40 41.524 2.988 7.212 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.142 3.509 4.519 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.711 2.233 3.417 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.122 2.085 4.204 1.00 0.00 H new ATOM 0 HD11 ILE X 40 39.167 2.508 7.665 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.378 3.067 5.989 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.133 1.337 6.326 1.00 0.00 H new ATOM 616 N GLY X 41 43.090 -1.074 6.857 1.00 0.00 N ATOM 617 CA GLY X 41 44.285 -1.672 7.407 1.00 0.00 C ATOM 618 C GLY X 41 44.868 -2.735 6.506 1.00 0.00 C ATOM 619 O GLY X 41 46.086 -2.884 6.409 1.00 0.00 O ATOM 0 H GLY X 41 42.242 -1.237 7.399 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.031 -0.895 7.577 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.054 -2.110 8.378 1.00 0.00 H new ATOM 623 N ALA X 42 43.992 -3.449 5.818 1.00 0.00 N ATOM 624 CA ALA X 42 44.408 -4.480 4.876 1.00 0.00 C ATOM 625 C ALA X 42 44.361 -3.971 3.445 1.00 0.00 C ATOM 626 O ALA X 42 45.018 -4.520 2.560 1.00 0.00 O ATOM 627 CB ALA X 42 43.542 -5.720 5.023 1.00 0.00 C ATOM 0 H ALA X 42 42.981 -3.334 5.894 1.00 0.00 H new ATOM 0 HA ALA X 42 45.440 -4.744 5.107 1.00 0.00 H new ATOM 0 HB1 ALA X 42 43.868 -6.478 4.311 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.634 -6.110 6.037 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.501 -5.462 4.827 1.00 0.00 H new ATOM 633 N ALA X 43 43.591 -2.914 3.227 1.00 0.00 N ATOM 634 CA ALA X 43 43.472 -2.318 1.900 1.00 0.00 C ATOM 635 C ALA X 43 44.744 -1.577 1.536 1.00 0.00 C ATOM 636 O ALA X 43 45.171 -1.588 0.385 1.00 0.00 O ATOM 637 CB ALA X 43 42.280 -1.377 1.830 1.00 0.00 C ATOM 0 H ALA X 43 43.040 -2.451 3.949 1.00 0.00 H new ATOM 0 HA ALA X 43 43.315 -3.123 1.182 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.214 -0.947 0.831 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.366 -1.930 2.047 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.403 -0.578 2.562 1.00 0.00 H new ATOM 643 N LEU X 44 45.356 -0.948 2.534 1.00 0.00 N ATOM 644 CA LEU X 44 46.596 -0.216 2.330 1.00 0.00 C ATOM 645 C LEU X 44 47.716 -1.147 1.901 1.00 0.00 C ATOM 646 O LEU X 44 48.583 -0.759 1.123 1.00 0.00 O ATOM 647 CB LEU X 44 46.995 0.549 3.594 1.00 0.00 C ATOM 648 CG LEU X 44 46.491 1.996 3.665 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.000 2.075 3.374 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.788 2.596 5.026 1.00 0.00 C ATOM 0 H LEU X 44 45.011 -0.932 3.494 1.00 0.00 H new ATOM 0 HA LEU X 44 46.426 0.505 1.531 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.619 0.007 4.462 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.082 0.555 3.668 1.00 0.00 H new ATOM 0 HG LEU X 44 47.018 2.569 2.902 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.673 3.113 3.432 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.803 1.688 2.374 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.454 1.481 4.107 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.424 3.623 5.058 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.290 2.010 5.799 1.00 0.00 H new ATOM 0 HD23 LEU X 44 47.864 2.587 5.201 1.00 0.00 H new ATOM 662 N ASP X 45 47.665 -2.386 2.375 1.00 0.00 N ATOM 663 CA ASP X 45 48.655 -3.389 2.005 1.00 0.00 C ATOM 664 C ASP X 45 48.740 -3.538 0.491 1.00 0.00 C ATOM 665 O ASP X 45 49.828 -3.571 -0.080 1.00 0.00 O ATOM 666 CB ASP X 45 48.308 -4.735 2.648 1.00 0.00 C ATOM 667 CG ASP X 45 49.408 -5.758 2.482 1.00 0.00 C ATOM 668 OD1 ASP X 45 49.642 -6.214 1.348 1.00 0.00 O ATOM 669 OD2 ASP X 45 50.050 -6.095 3.492 1.00 0.00 O ATOM 0 H ASP X 45 46.947 -2.720 3.018 1.00 0.00 H new ATOM 0 HA ASP X 45 49.627 -3.059 2.371 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.112 -4.587 3.710 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.389 -5.119 2.205 1.00 0.00 H new ATOM 674 N THR X 46 47.591 -3.678 -0.146 1.00 0.00 N ATOM 675 CA THR X 46 47.542 -3.888 -1.582 1.00 0.00 C ATOM 676 C THR X 46 47.563 -2.575 -2.373 1.00 0.00 C ATOM 677 O THR X 46 47.713 -2.591 -3.594 1.00 0.00 O ATOM 678 CB THR X 46 46.308 -4.714 -1.929 1.00 0.00 C ATOM 679 OG1 THR X 46 45.201 -4.297 -1.154 1.00 0.00 O ATOM 680 CG2 THR X 46 46.489 -6.197 -1.699 1.00 0.00 C ATOM 0 H THR X 46 46.679 -3.650 0.309 1.00 0.00 H new ATOM 0 HA THR X 46 48.442 -4.431 -1.872 1.00 0.00 H new ATOM 0 HB THR X 46 46.140 -4.548 -2.993 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.489 -3.977 -1.746 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.572 -6.721 -1.967 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.310 -6.563 -2.316 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.716 -6.377 -0.648 1.00 0.00 H new ATOM 688 N ILE X 47 47.506 -1.436 -1.686 1.00 0.00 N ATOM 689 CA ILE X 47 47.628 -0.149 -2.368 1.00 0.00 C ATOM 690 C ILE X 47 48.995 0.493 -2.104 1.00 0.00 C ATOM 691 O ILE X 47 49.097 1.709 -1.953 1.00 0.00 O ATOM 692 CB ILE X 47 46.485 0.850 -2.048 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.381 1.125 -0.554 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.152 0.335 -2.588 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.295 2.117 -0.202 1.00 0.00 C ATOM 0 H ILE X 47 47.378 -1.377 -0.676 1.00 0.00 H new ATOM 0 HA ILE X 47 47.538 -0.378 -3.430 1.00 0.00 H new ATOM 0 HB ILE X 47 46.725 1.791 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.190 0.188 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.338 1.502 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.364 1.050 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.220 0.212 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.920 -0.625 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.275 2.267 0.877 1.00 0.00 H new ATOM 0 HD12 ILE X 47 45.496 3.067 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.330 1.733 -0.532 1.00 0.00 H new ATOM 707 N GLN X 48 50.042 -0.347 -2.175 1.00 0.00 N ATOM 708 CA GLN X 48 51.460 0.068 -2.101 1.00 0.00 C ATOM 709 C GLN X 48 51.978 0.201 -0.667 1.00 0.00 C ATOM 710 O GLN X 48 53.031 0.800 -0.445 1.00 0.00 O ATOM 711 CB GLN X 48 51.725 1.370 -2.882 1.00 0.00 C ATOM 712 CG GLN X 48 51.381 1.280 -4.365 1.00 0.00 C ATOM 713 CD GLN X 48 50.277 2.243 -4.764 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.490 3.456 -4.852 1.00 0.00 O ATOM 715 NE2 GLN X 48 49.085 1.711 -5.001 1.00 0.00 N ATOM 0 H GLN X 48 49.928 -1.354 -2.288 1.00 0.00 H new ATOM 0 HA GLN X 48 52.017 -0.741 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.145 2.176 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.777 1.637 -2.778 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.273 1.490 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.074 0.261 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.950 0.703 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.303 2.310 -5.267 1.00 0.00 H new ATOM 724 N TYR X 49 51.335 -0.478 0.274 1.00 0.00 N ATOM 725 CA TYR X 49 51.847 -0.550 1.646 1.00 0.00 C ATOM 726 C TYR X 49 51.881 -1.994 2.119 1.00 0.00 C ATOM 727 O TYR X 49 51.331 -2.319 3.167 1.00 0.00 O ATOM 728 CB TYR X 49 50.992 0.263 2.628 1.00 0.00 C ATOM 729 CG TYR X 49 51.083 1.762 2.469 1.00 0.00 C ATOM 730 CD1 TYR X 49 50.509 2.402 1.384 1.00 0.00 C ATOM 731 CD2 TYR X 49 51.741 2.538 3.415 1.00 0.00 C ATOM 732 CE1 TYR X 49 50.584 3.769 1.243 1.00 0.00 C ATOM 733 CE2 TYR X 49 51.822 3.910 3.280 1.00 0.00 C ATOM 734 CZ TYR X 49 51.240 4.520 2.191 1.00 0.00 C ATOM 735 OH TYR X 49 51.308 5.886 2.051 1.00 0.00 O ATOM 0 H TYR X 49 50.464 -0.985 0.119 1.00 0.00 H new ATOM 0 HA TYR X 49 52.852 -0.128 1.629 1.00 0.00 H new ATOM 0 HB2 TYR X 49 49.950 -0.036 2.512 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.287 0.003 3.644 1.00 0.00 H new ATOM 0 HD1 TYR X 49 49.994 1.819 0.635 1.00 0.00 H new ATOM 0 HD2 TYR X 49 52.197 2.061 4.270 1.00 0.00 H new ATOM 0 HE1 TYR X 49 50.129 4.251 0.390 1.00 0.00 H new ATOM 0 HE2 TYR X 49 52.338 4.500 4.023 1.00 0.00 H new ATOM 0 HH TYR X 49 51.804 6.268 2.805 1.00 0.00 H new ATOM 745 N SER X 50 52.445 -2.876 1.304 1.00 0.00 N ATOM 746 CA SER X 50 52.435 -4.301 1.616 1.00 0.00 C ATOM 747 C SER X 50 53.447 -4.645 2.705 1.00 0.00 C ATOM 748 O SER X 50 53.529 -5.788 3.160 1.00 0.00 O ATOM 749 CB SER X 50 52.697 -5.122 0.354 1.00 0.00 C ATOM 750 OG SER X 50 52.369 -6.488 0.554 1.00 0.00 O ATOM 0 H SER X 50 52.911 -2.634 0.430 1.00 0.00 H new ATOM 0 HA SER X 50 51.446 -4.553 1.999 1.00 0.00 H new ATOM 0 HB2 SER X 50 52.110 -4.721 -0.472 1.00 0.00 H new ATOM 0 HB3 SER X 50 53.746 -5.035 0.071 1.00 0.00 H new ATOM 0 HG SER X 50 51.439 -6.560 0.856 1.00 0.00 H new ATOM 756 N LYS X 51 54.107 -3.625 3.212 1.00 0.00 N ATOM 757 CA LYS X 51 54.991 -3.775 4.353 1.00 0.00 C ATOM 758 C LYS X 51 54.663 -2.715 5.394 1.00 0.00 C ATOM 759 O LYS X 51 55.117 -1.572 5.295 1.00 0.00 O ATOM 760 CB LYS X 51 56.456 -3.663 3.927 1.00 0.00 C ATOM 761 CG LYS X 51 57.438 -3.870 5.071 1.00 0.00 C ATOM 762 CD LYS X 51 58.877 -3.745 4.604 1.00 0.00 C ATOM 763 CE LYS X 51 59.847 -3.857 5.769 1.00 0.00 C ATOM 764 NZ LYS X 51 59.600 -2.817 6.805 1.00 0.00 N ATOM 0 H LYS X 51 54.048 -2.674 2.849 1.00 0.00 H new ATOM 0 HA LYS X 51 54.840 -4.765 4.784 1.00 0.00 H new ATOM 0 HB2 LYS X 51 56.657 -4.399 3.148 1.00 0.00 H new ATOM 0 HB3 LYS X 51 56.624 -2.680 3.488 1.00 0.00 H new ATOM 0 HG2 LYS X 51 57.244 -3.137 5.854 1.00 0.00 H new ATOM 0 HG3 LYS X 51 57.282 -4.855 5.511 1.00 0.00 H new ATOM 0 HD2 LYS X 51 59.093 -4.523 3.872 1.00 0.00 H new ATOM 0 HD3 LYS X 51 59.017 -2.788 4.102 1.00 0.00 H new ATOM 0 HE2 LYS X 51 59.759 -4.845 6.220 1.00 0.00 H new ATOM 0 HE3 LYS X 51 60.868 -3.765 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 60.439 -2.726 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 59.407 -1.906 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 58.781 -3.092 7.384 1.00 0.00 H new ATOM 778 N HIS X 52 53.832 -3.076 6.359 1.00 0.00 N ATOM 779 CA HIS X 52 53.407 -2.129 7.379 1.00 0.00 C ATOM 780 C HIS X 52 54.466 -2.005 8.459 1.00 0.00 C ATOM 781 O HIS X 52 54.616 -0.903 9.014 1.00 0.00 O ATOM 782 CB HIS X 52 52.075 -2.545 8.008 1.00 0.00 C ATOM 783 CG HIS X 52 50.939 -2.630 7.034 1.00 0.00 C ATOM 784 ND1 HIS X 52 49.881 -1.799 6.851 1.00 0.00 N flip ATOM 785 CD2 HIS X 52 50.794 -3.638 6.107 1.00 0.00 C flip ATOM 786 CE1 HIS X 52 49.088 -2.290 5.822 1.00 0.00 C flip ATOM 787 NE2 HIS X 52 49.680 -3.394 5.407 1.00 0.00 N flip ATOM 788 OXT HIS X 52 55.142 -3.014 8.738 1.00 0.00 O ATOM 0 H HIS X 52 53.440 -4.012 6.458 1.00 0.00 H new ATOM 0 HA HIS X 52 53.269 -1.162 6.894 1.00 0.00 H new ATOM 0 HB2 HIS X 52 52.200 -3.515 8.490 1.00 0.00 H new ATOM 0 HB3 HIS X 52 51.816 -1.832 8.790 1.00 0.00 H new ATOM 0 HD1 HIS X 52 49.698 -0.949 7.384 1.00 0.00 H new ATOM 0 HD2 HIS X 52 51.461 -4.476 5.969 1.00 0.00 H new ATOM 0 HE1 HIS X 52 48.175 -1.857 5.440 1.00 0.00 H new TER 796 HIS X 52