USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 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 :FLIP amide:sc= -0.0054 F(o=-1.3,f=0.26) USER MOD Set 1.2: X 38 TYR OH : rot 150:sc= 0.264 USER MOD Set 2.1: X 16 GLN :FLIP amide:sc= -1.98 F(o=-3.8!,f=-2.1) USER MOD Set 2.2: X 17 MET CE :methyl 148:sc= -0.117 (180deg=-0.837) 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 96:sc= 0.98 USER MOD Single : X 15 SER OG : rot -150:sc= -2.38! USER MOD Single : X 19 SER OG : rot 78:sc= 0.00295 USER MOD Single : X 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 23 SER OG : rot 4:sc= 0.346 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : X 35 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : X 36 LYS NZ :NH3+ -174:sc= -0.091 (180deg=-0.351) USER MOD Single : X 37 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.43) USER MOD Single : X 46 THR OG1 : rot 114:sc= 1.8 USER MOD Single : X 48 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.93) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 180:sc= 0 USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 52 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 20.894 -0.058 -3.792 1.00 0.00 N ATOM 2 CA GLY X 1 22.299 -0.161 -3.319 1.00 0.00 C ATOM 3 C GLY X 1 22.929 1.197 -3.105 1.00 0.00 C ATOM 4 O GLY X 1 22.802 2.089 -3.948 1.00 0.00 O ATOM 0 H1 GLY X 1 20.502 -1.012 -3.925 1.00 0.00 H new ATOM 0 H2 GLY X 1 20.327 0.454 -3.086 1.00 0.00 H new ATOM 0 H3 GLY X 1 20.869 0.456 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY X 1 22.326 -0.724 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY X 1 22.886 -0.722 -4.047 1.00 0.00 H new ATOM 10 N SER X 2 23.613 1.357 -1.980 1.00 0.00 N ATOM 11 CA SER X 2 24.272 2.612 -1.659 1.00 0.00 C ATOM 12 C SER X 2 25.601 2.719 -2.396 1.00 0.00 C ATOM 13 O SER X 2 26.369 1.757 -2.437 1.00 0.00 O ATOM 14 CB SER X 2 24.505 2.707 -0.152 1.00 0.00 C ATOM 15 OG SER X 2 23.297 2.490 0.563 1.00 0.00 O ATOM 0 H SER X 2 23.725 0.630 -1.274 1.00 0.00 H new ATOM 0 HA SER X 2 23.630 3.434 -1.976 1.00 0.00 H new ATOM 0 HB2 SER X 2 25.249 1.971 0.152 1.00 0.00 H new ATOM 0 HB3 SER X 2 24.908 3.689 0.096 1.00 0.00 H new ATOM 0 HG SER X 2 23.471 2.554 1.525 1.00 0.00 H new ATOM 21 N PRO X 3 25.890 3.891 -2.988 1.00 0.00 N ATOM 22 CA PRO X 3 27.141 4.118 -3.724 1.00 0.00 C ATOM 23 C PRO X 3 28.370 3.947 -2.835 1.00 0.00 C ATOM 24 O PRO X 3 28.524 4.647 -1.831 1.00 0.00 O ATOM 25 CB PRO X 3 27.028 5.574 -4.190 1.00 0.00 C ATOM 26 CG PRO X 3 25.573 5.889 -4.131 1.00 0.00 C ATOM 27 CD PRO X 3 25.027 5.083 -2.989 1.00 0.00 C ATOM 0 HA PRO X 3 27.266 3.404 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO X 3 27.602 6.240 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO X 3 27.417 5.696 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO X 3 25.410 6.955 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO X 3 25.078 5.628 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.087 5.626 -2.046 1.00 0.00 H new ATOM 0 HD3 PRO X 3 23.979 4.824 -3.142 1.00 0.00 H new ATOM 35 N PRO X 4 29.242 2.978 -3.166 1.00 0.00 N ATOM 36 CA PRO X 4 30.435 2.667 -2.372 1.00 0.00 C ATOM 37 C PRO X 4 31.568 3.670 -2.583 1.00 0.00 C ATOM 38 O PRO X 4 32.732 3.286 -2.706 1.00 0.00 O ATOM 39 CB PRO X 4 30.860 1.275 -2.880 1.00 0.00 C ATOM 40 CG PRO X 4 29.782 0.824 -3.815 1.00 0.00 C ATOM 41 CD PRO X 4 29.106 2.069 -4.307 1.00 0.00 C ATOM 0 HA PRO X 4 30.219 2.703 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO X 4 31.822 1.324 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO X 4 30.974 0.576 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO X 4 30.200 0.254 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO X 4 29.073 0.172 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO X 4 29.587 2.466 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO X 4 28.061 1.890 -4.560 1.00 0.00 H new ATOM 49 N GLU X 5 31.228 4.953 -2.626 1.00 0.00 N ATOM 50 CA GLU X 5 32.222 6.004 -2.831 1.00 0.00 C ATOM 51 C GLU X 5 31.893 7.233 -1.999 1.00 0.00 C ATOM 52 O GLU X 5 32.466 8.304 -2.205 1.00 0.00 O ATOM 53 CB GLU X 5 32.283 6.399 -4.308 1.00 0.00 C ATOM 54 CG GLU X 5 32.660 5.264 -5.246 1.00 0.00 C ATOM 55 CD GLU X 5 32.563 5.672 -6.694 1.00 0.00 C ATOM 56 OE1 GLU X 5 32.126 6.808 -6.959 1.00 0.00 O ATOM 57 OE2 GLU X 5 32.911 4.857 -7.566 1.00 0.00 O ATOM 0 H GLU X 5 30.272 5.292 -2.522 1.00 0.00 H new ATOM 0 HA GLU X 5 33.190 5.612 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU X 5 31.312 6.793 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU X 5 33.005 7.207 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU X 5 33.677 4.937 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU X 5 32.005 4.411 -5.065 1.00 0.00 H new ATOM 64 N ALA X 6 30.943 7.073 -1.093 1.00 0.00 N ATOM 65 CA ALA X 6 30.476 8.161 -0.240 1.00 0.00 C ATOM 66 C ALA X 6 29.496 7.610 0.768 1.00 0.00 C ATOM 67 O ALA X 6 28.434 8.186 1.018 1.00 0.00 O ATOM 68 CB ALA X 6 29.817 9.264 -1.058 1.00 0.00 C ATOM 0 H ALA X 6 30.471 6.185 -0.925 1.00 0.00 H new ATOM 0 HA ALA X 6 31.334 8.596 0.272 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.480 10.059 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.536 9.668 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.962 8.856 -1.597 1.00 0.00 H new ATOM 74 N ASP X 7 29.862 6.479 1.328 1.00 0.00 N ATOM 75 CA ASP X 7 29.036 5.802 2.300 1.00 0.00 C ATOM 76 C ASP X 7 29.676 5.983 3.657 1.00 0.00 C ATOM 77 O ASP X 7 30.891 5.987 3.743 1.00 0.00 O ATOM 78 CB ASP X 7 28.931 4.310 1.931 1.00 0.00 C ATOM 79 CG ASP X 7 27.999 3.524 2.829 1.00 0.00 C ATOM 80 OD1 ASP X 7 28.335 3.316 4.009 1.00 0.00 O ATOM 81 OD2 ASP X 7 26.918 3.124 2.352 1.00 0.00 O ATOM 0 H ASP X 7 30.740 6.003 1.122 1.00 0.00 H new ATOM 0 HA ASP X 7 28.027 6.215 2.316 1.00 0.00 H new ATOM 0 HB2 ASP X 7 28.587 4.223 0.900 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.924 3.864 1.974 1.00 0.00 H new ATOM 86 N PRO X 8 28.882 6.172 4.724 1.00 0.00 N ATOM 87 CA PRO X 8 29.400 6.381 6.086 1.00 0.00 C ATOM 88 C PRO X 8 30.528 5.408 6.464 1.00 0.00 C ATOM 89 O PRO X 8 31.315 5.682 7.367 1.00 0.00 O ATOM 90 CB PRO X 8 28.174 6.129 6.958 1.00 0.00 C ATOM 91 CG PRO X 8 27.005 6.500 6.107 1.00 0.00 C ATOM 92 CD PRO X 8 27.410 6.241 4.676 1.00 0.00 C ATOM 0 HA PRO X 8 29.844 7.370 6.199 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.120 5.086 7.269 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.206 6.731 7.866 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.129 5.909 6.374 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.739 7.547 6.250 1.00 0.00 H new ATOM 0 HD2 PRO X 8 26.980 5.312 4.302 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.070 7.038 4.015 1.00 0.00 H new ATOM 100 N ARG X 9 30.599 4.283 5.755 1.00 0.00 N ATOM 101 CA ARG X 9 31.619 3.270 5.980 1.00 0.00 C ATOM 102 C ARG X 9 32.848 3.478 5.083 1.00 0.00 C ATOM 103 O ARG X 9 33.975 3.191 5.485 1.00 0.00 O ATOM 104 CB ARG X 9 31.017 1.894 5.701 1.00 0.00 C ATOM 105 CG ARG X 9 29.778 1.603 6.540 1.00 0.00 C ATOM 106 CD ARG X 9 29.361 0.140 6.456 1.00 0.00 C ATOM 107 NE ARG X 9 29.025 -0.266 5.093 1.00 0.00 N ATOM 108 CZ ARG X 9 27.878 0.027 4.487 1.00 0.00 C ATOM 109 NH1 ARG X 9 26.925 0.681 5.136 1.00 0.00 N ATOM 110 NH2 ARG X 9 27.681 -0.354 3.234 1.00 0.00 N ATOM 0 H ARG X 9 29.946 4.051 5.006 1.00 0.00 H new ATOM 0 HA ARG X 9 31.950 3.348 7.016 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.758 1.825 4.645 1.00 0.00 H new ATOM 0 HB3 ARG X 9 31.768 1.129 5.896 1.00 0.00 H new ATOM 0 HG2 ARG X 9 29.975 1.864 7.580 1.00 0.00 H new ATOM 0 HG3 ARG X 9 28.956 2.234 6.203 1.00 0.00 H new ATOM 0 HD2 ARG X 9 30.170 -0.488 6.830 1.00 0.00 H new ATOM 0 HD3 ARG X 9 28.501 -0.028 7.105 1.00 0.00 H new ATOM 0 HE ARG X 9 29.714 -0.809 4.573 1.00 0.00 H new ATOM 0 HH11 ARG X 9 27.069 0.962 6.106 1.00 0.00 H new ATOM 0 HH12 ARG X 9 26.048 0.903 4.666 1.00 0.00 H new ATOM 0 HH21 ARG X 9 28.407 -0.870 2.738 1.00 0.00 H new ATOM 0 HH22 ARG X 9 26.803 -0.131 2.765 1.00 0.00 H new ATOM 124 N LEU X 10 32.624 3.898 3.842 1.00 0.00 N ATOM 125 CA LEU X 10 33.698 4.044 2.877 1.00 0.00 C ATOM 126 C LEU X 10 34.171 5.483 2.757 1.00 0.00 C ATOM 127 O LEU X 10 35.225 5.732 2.200 1.00 0.00 O ATOM 128 CB LEU X 10 33.275 3.499 1.513 1.00 0.00 C ATOM 129 CG LEU X 10 33.333 1.975 1.398 1.00 0.00 C ATOM 130 CD1 LEU X 10 32.655 1.506 0.126 1.00 0.00 C ATOM 131 CD2 LEU X 10 34.773 1.493 1.429 1.00 0.00 C ATOM 0 H LEU X 10 31.701 4.144 3.483 1.00 0.00 H new ATOM 0 HA LEU X 10 34.541 3.458 3.243 1.00 0.00 H new ATOM 0 HB2 LEU X 10 32.258 3.829 1.303 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.916 3.934 0.746 1.00 0.00 H new ATOM 0 HG LEU X 10 32.802 1.551 2.251 1.00 0.00 H new ATOM 0 HD11 LEU X 10 32.708 0.419 0.065 1.00 0.00 H new ATOM 0 HD12 LEU X 10 31.611 1.818 0.134 1.00 0.00 H new ATOM 0 HD13 LEU X 10 33.158 1.943 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU X 10 34.795 0.406 1.346 1.00 0.00 H new ATOM 0 HD22 LEU X 10 35.322 1.932 0.595 1.00 0.00 H new ATOM 0 HD23 LEU X 10 35.238 1.795 2.368 1.00 0.00 H new ATOM 143 N ILE X 11 33.445 6.419 3.340 1.00 0.00 N ATOM 144 CA ILE X 11 33.889 7.804 3.343 1.00 0.00 C ATOM 145 C ILE X 11 35.137 7.939 4.219 1.00 0.00 C ATOM 146 O ILE X 11 36.003 8.774 3.970 1.00 0.00 O ATOM 147 CB ILE X 11 32.768 8.765 3.809 1.00 0.00 C ATOM 148 CG1 ILE X 11 33.228 10.221 3.731 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.307 8.429 5.217 1.00 0.00 C ATOM 150 CD1 ILE X 11 32.160 11.210 4.142 1.00 0.00 C ATOM 0 H ILE X 11 32.557 6.251 3.812 1.00 0.00 H new ATOM 0 HA ILE X 11 34.140 8.089 2.321 1.00 0.00 H new ATOM 0 HB ILE X 11 31.922 8.635 3.135 1.00 0.00 H new ATOM 0 HG12 ILE X 11 34.101 10.353 4.370 1.00 0.00 H new ATOM 0 HG13 ILE X 11 33.543 10.441 2.711 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.520 9.121 5.517 1.00 0.00 H new ATOM 0 HG22 ILE X 11 31.923 7.409 5.240 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.148 8.516 5.905 1.00 0.00 H new ATOM 0 HD11 ILE X 11 32.553 12.224 4.063 1.00 0.00 H new ATOM 0 HD12 ILE X 11 31.295 11.104 3.487 1.00 0.00 H new ATOM 0 HD13 ILE X 11 31.861 11.016 5.172 1.00 0.00 H new ATOM 162 N GLU X 12 35.307 6.984 5.125 1.00 0.00 N ATOM 163 CA GLU X 12 36.551 6.875 5.880 1.00 0.00 C ATOM 164 C GLU X 12 37.517 5.870 5.245 1.00 0.00 C ATOM 165 O GLU X 12 38.708 5.888 5.534 1.00 0.00 O ATOM 166 CB GLU X 12 36.290 6.483 7.338 1.00 0.00 C ATOM 167 CG GLU X 12 35.811 7.633 8.211 1.00 0.00 C ATOM 168 CD GLU X 12 34.312 7.668 8.370 1.00 0.00 C ATOM 169 OE1 GLU X 12 33.750 6.684 8.889 1.00 0.00 O ATOM 170 OE2 GLU X 12 33.700 8.684 8.007 1.00 0.00 O ATOM 0 H GLU X 12 34.606 6.279 5.354 1.00 0.00 H new ATOM 0 HA GLU X 12 37.013 7.862 5.857 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.545 5.687 7.362 1.00 0.00 H new ATOM 0 HB3 GLU X 12 37.207 6.075 7.763 1.00 0.00 H new ATOM 0 HG2 GLU X 12 36.273 7.552 9.195 1.00 0.00 H new ATOM 0 HG3 GLU X 12 36.147 8.575 7.778 1.00 0.00 H new ATOM 177 N SER X 13 36.981 4.896 4.514 1.00 0.00 N ATOM 178 CA SER X 13 37.796 3.790 4.011 1.00 0.00 C ATOM 179 C SER X 13 38.268 3.998 2.565 1.00 0.00 C ATOM 180 O SER X 13 39.446 3.826 2.256 1.00 0.00 O ATOM 181 CB SER X 13 37.015 2.484 4.121 1.00 0.00 C ATOM 182 OG SER X 13 36.561 2.284 5.449 1.00 0.00 O ATOM 0 H SER X 13 35.995 4.848 4.258 1.00 0.00 H new ATOM 0 HA SER X 13 38.692 3.748 4.630 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.165 2.504 3.439 1.00 0.00 H new ATOM 0 HB3 SER X 13 37.647 1.649 3.818 1.00 0.00 H new ATOM 0 HG SER X 13 35.640 2.608 5.532 1.00 0.00 H new ATOM 188 N LEU X 14 37.354 4.364 1.682 1.00 0.00 N ATOM 189 CA LEU X 14 37.678 4.580 0.286 1.00 0.00 C ATOM 190 C LEU X 14 37.994 6.038 0.076 1.00 0.00 C ATOM 191 O LEU X 14 38.923 6.388 -0.646 1.00 0.00 O ATOM 192 CB LEU X 14 36.500 4.129 -0.600 1.00 0.00 C ATOM 193 CG LEU X 14 36.674 4.276 -2.123 1.00 0.00 C ATOM 194 CD1 LEU X 14 36.284 5.673 -2.591 1.00 0.00 C ATOM 195 CD2 LEU X 14 38.099 3.965 -2.544 1.00 0.00 C ATOM 0 H LEU X 14 36.373 4.518 1.913 1.00 0.00 H new ATOM 0 HA LEU X 14 38.551 3.990 0.007 1.00 0.00 H new ATOM 0 HB2 LEU X 14 36.294 3.081 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.617 4.695 -0.304 1.00 0.00 H new ATOM 0 HG LEU X 14 36.007 3.555 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.418 5.746 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.240 5.862 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU X 14 36.915 6.412 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU X 14 38.192 4.077 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU X 14 38.783 4.653 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU X 14 38.346 2.941 -2.263 1.00 0.00 H new ATOM 207 N SER X 15 37.178 6.892 0.661 1.00 0.00 N ATOM 208 CA SER X 15 37.341 8.313 0.467 1.00 0.00 C ATOM 209 C SER X 15 38.665 8.831 1.045 1.00 0.00 C ATOM 210 O SER X 15 39.138 9.895 0.647 1.00 0.00 O ATOM 211 CB SER X 15 36.159 9.078 1.052 1.00 0.00 C ATOM 212 OG SER X 15 34.935 8.578 0.540 1.00 0.00 O ATOM 0 H SER X 15 36.403 6.627 1.269 1.00 0.00 H new ATOM 0 HA SER X 15 37.372 8.488 -0.608 1.00 0.00 H new ATOM 0 HB2 SER X 15 36.166 8.993 2.139 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.252 10.138 0.815 1.00 0.00 H new ATOM 0 HG SER X 15 34.273 9.300 0.512 1.00 0.00 H new ATOM 218 N GLN X 16 39.296 8.057 1.934 1.00 0.00 N ATOM 219 CA GLN X 16 40.590 8.458 2.482 1.00 0.00 C ATOM 220 C GLN X 16 41.717 8.183 1.488 1.00 0.00 C ATOM 221 O GLN X 16 42.728 8.880 1.482 1.00 0.00 O ATOM 222 CB GLN X 16 40.872 7.774 3.833 1.00 0.00 C ATOM 223 CG GLN X 16 41.031 6.257 3.779 1.00 0.00 C ATOM 224 CD GLN X 16 42.446 5.810 3.466 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.583 4.893 2.523 1.00 0.00 O flip ATOM 226 NE2 GLN X 16 43.406 6.272 4.082 1.00 0.00 N flip ATOM 0 H GLN X 16 38.939 7.167 2.282 1.00 0.00 H new ATOM 0 HA GLN X 16 40.548 9.533 2.660 1.00 0.00 H new ATOM 0 HB2 GLN X 16 41.781 8.203 4.255 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.059 8.013 4.518 1.00 0.00 H new ATOM 0 HG2 GLN X 16 40.727 5.833 4.736 1.00 0.00 H new ATOM 0 HG3 GLN X 16 40.356 5.855 3.024 1.00 0.00 H new ATOM 0 HE21 GLN X 16 43.257 6.978 4.803 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.350 5.948 3.872 1.00 0.00 H new ATOM 235 N MET X 17 41.539 7.179 0.632 1.00 0.00 N ATOM 236 CA MET X 17 42.549 6.860 -0.363 1.00 0.00 C ATOM 237 C MET X 17 42.241 7.556 -1.680 1.00 0.00 C ATOM 238 O MET X 17 43.143 7.825 -2.472 1.00 0.00 O ATOM 239 CB MET X 17 42.657 5.346 -0.570 1.00 0.00 C ATOM 240 CG MET X 17 41.375 4.676 -1.046 1.00 0.00 C ATOM 241 SD MET X 17 41.583 2.912 -1.358 1.00 0.00 S ATOM 242 CE MET X 17 42.018 2.325 0.275 1.00 0.00 C ATOM 0 H MET X 17 40.713 6.581 0.610 1.00 0.00 H new ATOM 0 HA MET X 17 43.509 7.221 0.004 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.446 5.148 -1.296 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.965 4.886 0.369 1.00 0.00 H new ATOM 0 HG2 MET X 17 40.596 4.818 -0.297 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.033 5.164 -1.959 1.00 0.00 H new ATOM 0 HE1 MET X 17 41.641 1.311 0.410 1.00 0.00 H new ATOM 0 HE2 MET X 17 43.102 2.326 0.385 1.00 0.00 H new ATOM 0 HE3 MET X 17 41.576 2.979 1.026 1.00 0.00 H new ATOM 252 N LEU X 18 40.959 7.837 -1.910 1.00 0.00 N ATOM 253 CA LEU X 18 40.519 8.490 -3.139 1.00 0.00 C ATOM 254 C LEU X 18 41.217 9.837 -3.338 1.00 0.00 C ATOM 255 O LEU X 18 41.569 10.206 -4.459 1.00 0.00 O ATOM 256 CB LEU X 18 39.001 8.689 -3.103 1.00 0.00 C ATOM 257 CG LEU X 18 38.374 9.206 -4.398 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.615 8.231 -5.536 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.886 9.434 -4.212 1.00 0.00 C ATOM 0 H LEU X 18 40.205 7.621 -1.258 1.00 0.00 H new ATOM 0 HA LEU X 18 40.786 7.848 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.533 7.738 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.763 9.387 -2.300 1.00 0.00 H new ATOM 0 HG LEU X 18 38.846 10.156 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.161 8.617 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.687 8.107 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.170 7.267 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.455 9.802 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.406 8.495 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.726 10.169 -3.423 1.00 0.00 H new ATOM 271 N SER X 19 41.380 10.583 -2.251 1.00 0.00 N ATOM 272 CA SER X 19 41.991 11.906 -2.311 1.00 0.00 C ATOM 273 C SER X 19 43.492 11.838 -2.600 1.00 0.00 C ATOM 274 O SER X 19 44.040 12.727 -3.249 1.00 0.00 O ATOM 275 CB SER X 19 41.760 12.641 -0.993 1.00 0.00 C ATOM 276 OG SER X 19 40.377 12.705 -0.681 1.00 0.00 O ATOM 0 H SER X 19 41.097 10.293 -1.315 1.00 0.00 H new ATOM 0 HA SER X 19 41.520 12.446 -3.132 1.00 0.00 H new ATOM 0 HB2 SER X 19 42.294 12.132 -0.191 1.00 0.00 H new ATOM 0 HB3 SER X 19 42.169 13.649 -1.059 1.00 0.00 H new ATOM 0 HG SER X 19 40.081 11.840 -0.330 1.00 0.00 H new ATOM 282 N MET X 20 44.168 10.846 -2.032 1.00 0.00 N ATOM 283 CA MET X 20 45.621 10.755 -2.150 1.00 0.00 C ATOM 284 C MET X 20 46.045 10.060 -3.442 1.00 0.00 C ATOM 285 O MET X 20 47.143 10.292 -3.946 1.00 0.00 O ATOM 286 CB MET X 20 46.222 10.032 -0.938 1.00 0.00 C ATOM 287 CG MET X 20 46.229 10.863 0.339 1.00 0.00 C ATOM 288 SD MET X 20 44.577 11.317 0.905 1.00 0.00 S ATOM 289 CE MET X 20 44.969 12.281 2.361 1.00 0.00 C ATOM 0 H MET X 20 43.738 10.097 -1.488 1.00 0.00 H new ATOM 0 HA MET X 20 46.005 11.775 -2.179 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.660 9.115 -0.760 1.00 0.00 H new ATOM 0 HB3 MET X 20 47.245 9.738 -1.174 1.00 0.00 H new ATOM 0 HG2 MET X 20 46.734 10.303 1.126 1.00 0.00 H new ATOM 0 HG3 MET X 20 46.810 11.770 0.171 1.00 0.00 H new ATOM 0 HE1 MET X 20 44.047 12.633 2.823 1.00 0.00 H new ATOM 0 HE2 MET X 20 45.517 11.662 3.071 1.00 0.00 H new ATOM 0 HE3 MET X 20 45.582 13.136 2.077 1.00 0.00 H new ATOM 299 N GLY X 21 45.185 9.203 -3.973 1.00 0.00 N ATOM 300 CA GLY X 21 45.515 8.498 -5.197 1.00 0.00 C ATOM 301 C GLY X 21 45.740 7.022 -4.965 1.00 0.00 C ATOM 302 O GLY X 21 46.662 6.430 -5.524 1.00 0.00 O ATOM 0 H GLY X 21 44.269 8.983 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY X 21 44.710 8.631 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.412 8.936 -5.635 1.00 0.00 H new ATOM 306 N PHE X 22 44.840 6.405 -4.210 1.00 0.00 N ATOM 307 CA PHE X 22 44.872 4.976 -3.984 1.00 0.00 C ATOM 308 C PHE X 22 43.502 4.430 -4.333 1.00 0.00 C ATOM 309 O PHE X 22 42.503 5.139 -4.203 1.00 0.00 O ATOM 310 CB PHE X 22 45.208 4.637 -2.524 1.00 0.00 C ATOM 311 CG PHE X 22 46.569 5.087 -2.049 1.00 0.00 C ATOM 312 CD1 PHE X 22 46.889 6.433 -1.963 1.00 0.00 C ATOM 313 CD2 PHE X 22 47.523 4.155 -1.673 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.131 6.839 -1.513 1.00 0.00 C ATOM 315 CE2 PHE X 22 48.767 4.556 -1.224 1.00 0.00 C ATOM 316 CZ PHE X 22 49.071 5.897 -1.144 1.00 0.00 C ATOM 0 H PHE X 22 44.072 6.884 -3.741 1.00 0.00 H new ATOM 0 HA PHE X 22 45.649 4.529 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.451 5.087 -1.881 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.136 3.557 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE X 22 46.158 7.174 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE X 22 47.291 3.102 -1.732 1.00 0.00 H new ATOM 0 HE1 PHE X 22 48.366 7.891 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE X 22 49.501 3.818 -0.936 1.00 0.00 H new ATOM 0 HZ PHE X 22 50.043 6.211 -0.793 1.00 0.00 H new ATOM 326 N SER X 23 43.447 3.224 -4.851 1.00 0.00 N ATOM 327 CA SER X 23 42.183 2.674 -5.298 1.00 0.00 C ATOM 328 C SER X 23 42.187 1.155 -5.192 1.00 0.00 C ATOM 329 O SER X 23 42.423 0.604 -4.120 1.00 0.00 O ATOM 330 CB SER X 23 41.901 3.103 -6.743 1.00 0.00 C ATOM 331 OG SER X 23 41.622 4.496 -6.831 1.00 0.00 O ATOM 0 H SER X 23 44.252 2.609 -4.973 1.00 0.00 H new ATOM 0 HA SER X 23 41.394 3.060 -4.653 1.00 0.00 H new ATOM 0 HB2 SER X 23 42.761 2.863 -7.369 1.00 0.00 H new ATOM 0 HB3 SER X 23 41.055 2.537 -7.133 1.00 0.00 H new ATOM 0 HG SER X 23 41.725 4.907 -5.947 1.00 0.00 H new ATOM 337 N ASP X 24 42.065 0.489 -6.334 1.00 0.00 N ATOM 338 CA ASP X 24 42.213 -0.953 -6.393 1.00 0.00 C ATOM 339 C ASP X 24 43.314 -1.327 -7.369 1.00 0.00 C ATOM 340 O ASP X 24 43.453 -0.717 -8.427 1.00 0.00 O ATOM 341 CB ASP X 24 40.897 -1.647 -6.775 1.00 0.00 C ATOM 342 CG ASP X 24 40.212 -1.038 -7.979 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.780 -1.086 -9.084 1.00 0.00 O ATOM 344 OD2 ASP X 24 39.092 -0.514 -7.816 1.00 0.00 O ATOM 0 H ASP X 24 41.863 0.929 -7.232 1.00 0.00 H new ATOM 0 HA ASP X 24 42.487 -1.299 -5.396 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.097 -2.699 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.217 -1.609 -5.924 1.00 0.00 H new ATOM 349 N GLU X 25 44.063 -2.358 -7.027 1.00 0.00 N ATOM 350 CA GLU X 25 45.117 -2.859 -7.903 1.00 0.00 C ATOM 351 C GLU X 25 44.507 -3.472 -9.156 1.00 0.00 C ATOM 352 O GLU X 25 44.913 -3.179 -10.280 1.00 0.00 O ATOM 353 CB GLU X 25 45.957 -3.908 -7.174 1.00 0.00 C ATOM 354 CG GLU X 25 47.087 -4.487 -8.003 1.00 0.00 C ATOM 355 CD GLU X 25 47.511 -5.846 -7.505 1.00 0.00 C ATOM 356 OE1 GLU X 25 46.828 -6.394 -6.613 1.00 0.00 O ATOM 357 OE2 GLU X 25 48.509 -6.381 -8.023 1.00 0.00 O ATOM 0 H GLU X 25 43.965 -2.868 -6.149 1.00 0.00 H new ATOM 0 HA GLU X 25 45.759 -2.025 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU X 25 46.376 -3.460 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU X 25 45.305 -4.720 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU X 25 46.771 -4.564 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU X 25 47.940 -3.809 -7.978 1.00 0.00 H new ATOM 364 N GLY X 26 43.549 -4.352 -8.936 1.00 0.00 N ATOM 365 CA GLY X 26 42.898 -5.042 -10.034 1.00 0.00 C ATOM 366 C GLY X 26 41.386 -5.062 -9.904 1.00 0.00 C ATOM 367 O GLY X 26 40.692 -5.523 -10.809 1.00 0.00 O ATOM 0 H GLY X 26 43.205 -4.606 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY X 26 43.171 -4.560 -10.973 1.00 0.00 H new ATOM 0 HA3 GLY X 26 43.267 -6.066 -10.083 1.00 0.00 H new ATOM 371 N GLY X 27 40.870 -4.530 -8.800 1.00 0.00 N ATOM 372 CA GLY X 27 39.429 -4.472 -8.612 1.00 0.00 C ATOM 373 C GLY X 27 38.983 -5.099 -7.307 1.00 0.00 C ATOM 374 O GLY X 27 37.795 -5.350 -7.102 1.00 0.00 O ATOM 0 H GLY X 27 41.420 -4.139 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY X 27 39.105 -3.432 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY X 27 38.938 -4.981 -9.441 1.00 0.00 H new ATOM 378 N TRP X 28 39.939 -5.373 -6.429 1.00 0.00 N ATOM 379 CA TRP X 28 39.643 -6.000 -5.147 1.00 0.00 C ATOM 380 C TRP X 28 39.129 -4.995 -4.126 1.00 0.00 C ATOM 381 O TRP X 28 38.828 -5.369 -3.004 1.00 0.00 O ATOM 382 CB TRP X 28 40.884 -6.697 -4.578 1.00 0.00 C ATOM 383 CG TRP X 28 42.100 -5.821 -4.533 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.180 -5.891 -5.359 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.355 -4.729 -3.637 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.089 -4.922 -5.023 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.603 -4.196 -3.978 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.648 -4.151 -2.579 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.160 -3.118 -3.306 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.200 -3.077 -1.910 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.446 -2.569 -2.277 1.00 0.00 C ATOM 0 H TRP X 28 40.927 -5.171 -6.581 1.00 0.00 H new ATOM 0 HA TRP X 28 38.861 -6.736 -5.335 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.663 -7.048 -3.570 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.104 -7.578 -5.181 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.302 -6.605 -6.160 1.00 0.00 H new ATOM 0 HE1 TRP X 28 44.987 -4.769 -5.482 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.683 -4.539 -2.289 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.126 -2.725 -3.586 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.660 -2.624 -1.092 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.854 -1.727 -1.739 1.00 0.00 H new ATOM 402 N LEU X 29 39.153 -3.710 -4.466 1.00 0.00 N ATOM 403 CA LEU X 29 38.808 -2.658 -3.506 1.00 0.00 C ATOM 404 C LEU X 29 37.407 -2.864 -2.922 1.00 0.00 C ATOM 405 O LEU X 29 37.164 -2.588 -1.745 1.00 0.00 O ATOM 406 CB LEU X 29 38.948 -1.282 -4.172 1.00 0.00 C ATOM 407 CG LEU X 29 38.251 -0.117 -3.476 1.00 0.00 C ATOM 408 CD1 LEU X 29 38.964 0.242 -2.181 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.195 1.080 -4.409 1.00 0.00 C ATOM 0 H LEU X 29 39.406 -3.370 -5.394 1.00 0.00 H new ATOM 0 HA LEU X 29 39.504 -2.710 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.009 -1.047 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU X 29 38.561 -1.354 -5.188 1.00 0.00 H new ATOM 0 HG LEU X 29 37.233 -0.415 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.450 1.075 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU X 29 38.961 -0.619 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU X 29 39.993 0.528 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU X 29 37.696 1.909 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.208 1.377 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU X 29 37.641 0.814 -5.309 1.00 0.00 H new ATOM 421 N THR X 30 36.510 -3.422 -3.720 1.00 0.00 N ATOM 422 CA THR X 30 35.170 -3.737 -3.251 1.00 0.00 C ATOM 423 C THR X 30 35.142 -5.073 -2.497 1.00 0.00 C ATOM 424 O THR X 30 34.180 -5.375 -1.795 1.00 0.00 O ATOM 425 CB THR X 30 34.214 -3.785 -4.444 1.00 0.00 C ATOM 426 OG1 THR X 30 34.718 -4.650 -5.450 1.00 0.00 O ATOM 427 CG2 THR X 30 33.982 -2.431 -5.083 1.00 0.00 C ATOM 0 H THR X 30 36.686 -3.666 -4.695 1.00 0.00 H new ATOM 0 HA THR X 30 34.854 -2.958 -2.557 1.00 0.00 H new ATOM 0 HB THR X 30 33.267 -4.146 -4.043 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.094 -4.671 -6.206 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.295 -2.538 -5.922 1.00 0.00 H new ATOM 0 HG22 THR X 30 33.554 -1.750 -4.347 1.00 0.00 H new ATOM 0 HG23 THR X 30 34.931 -2.030 -5.440 1.00 0.00 H new ATOM 435 N ARG X 31 36.156 -5.905 -2.728 1.00 0.00 N ATOM 436 CA ARG X 31 36.202 -7.253 -2.158 1.00 0.00 C ATOM 437 C ARG X 31 37.008 -7.290 -0.856 1.00 0.00 C ATOM 438 O ARG X 31 36.514 -7.746 0.178 1.00 0.00 O ATOM 439 CB ARG X 31 36.821 -8.227 -3.170 1.00 0.00 C ATOM 440 CG ARG X 31 36.649 -7.794 -4.618 1.00 0.00 C ATOM 441 CD ARG X 31 37.065 -8.885 -5.591 1.00 0.00 C ATOM 442 NE ARG X 31 38.398 -9.417 -5.309 1.00 0.00 N ATOM 443 CZ ARG X 31 39.023 -10.273 -6.114 1.00 0.00 C ATOM 444 NH1 ARG X 31 38.489 -10.588 -7.286 1.00 0.00 N ATOM 445 NH2 ARG X 31 40.190 -10.796 -5.759 1.00 0.00 N ATOM 0 H ARG X 31 36.961 -5.669 -3.308 1.00 0.00 H new ATOM 0 HA ARG X 31 35.178 -7.551 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.884 -8.333 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.370 -9.210 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG X 31 35.607 -7.528 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.243 -6.899 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG X 31 36.339 -9.697 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG X 31 37.044 -8.488 -6.606 1.00 0.00 H new ATOM 0 HE ARG X 31 38.870 -9.118 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG X 31 37.601 -10.174 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG X 31 38.967 -11.244 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG X 31 40.612 -10.542 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG X 31 40.665 -11.452 -6.380 1.00 0.00 H new ATOM 459 N LEU X 32 38.265 -6.855 -0.946 1.00 0.00 N ATOM 460 CA LEU X 32 39.210 -6.868 0.174 1.00 0.00 C ATOM 461 C LEU X 32 38.609 -6.208 1.408 1.00 0.00 C ATOM 462 O LEU X 32 38.490 -6.835 2.461 1.00 0.00 O ATOM 463 CB LEU X 32 40.501 -6.137 -0.254 1.00 0.00 C ATOM 464 CG LEU X 32 41.737 -6.283 0.656 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.594 -5.474 1.939 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.000 -7.745 0.972 1.00 0.00 C ATOM 0 H LEU X 32 38.661 -6.479 -1.808 1.00 0.00 H new ATOM 0 HA LEU X 32 39.439 -7.901 0.435 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.773 -6.489 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.272 -5.075 -0.343 1.00 0.00 H new ATOM 0 HG LEU X 32 42.593 -5.884 0.111 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.486 -5.604 2.552 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.474 -4.419 1.692 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.720 -5.819 2.491 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.876 -7.826 1.615 1.00 0.00 H new ATOM 0 HD22 LEU X 32 41.135 -8.168 1.482 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.178 -8.291 0.046 1.00 0.00 H new ATOM 478 N LEU X 33 38.294 -4.924 1.291 1.00 0.00 N ATOM 479 CA LEU X 33 37.781 -4.156 2.417 1.00 0.00 C ATOM 480 C LEU X 33 36.474 -4.742 2.935 1.00 0.00 C ATOM 481 O LEU X 33 36.264 -4.819 4.138 1.00 0.00 O ATOM 482 CB LEU X 33 37.559 -2.688 2.026 1.00 0.00 C ATOM 483 CG LEU X 33 38.825 -1.846 1.837 1.00 0.00 C ATOM 484 CD1 LEU X 33 39.530 -2.204 0.541 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.482 -0.367 1.856 1.00 0.00 C ATOM 0 H LEU X 33 38.385 -4.392 0.425 1.00 0.00 H new ATOM 0 HA LEU X 33 38.529 -4.207 3.208 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.987 -2.662 1.098 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.944 -2.217 2.793 1.00 0.00 H new ATOM 0 HG LEU X 33 39.502 -2.063 2.663 1.00 0.00 H new ATOM 0 HD11 LEU X 33 40.425 -1.591 0.432 1.00 0.00 H new ATOM 0 HD12 LEU X 33 39.811 -3.257 0.559 1.00 0.00 H new ATOM 0 HD13 LEU X 33 38.861 -2.021 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.391 0.219 1.721 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.784 -0.145 1.049 1.00 0.00 H new ATOM 0 HD23 LEU X 33 38.025 -0.112 2.812 1.00 0.00 H new ATOM 497 N GLN X 34 35.581 -5.066 2.008 1.00 0.00 N ATOM 498 CA GLN X 34 34.234 -5.552 2.321 1.00 0.00 C ATOM 499 C GLN X 34 34.198 -6.507 3.517 1.00 0.00 C ATOM 500 O GLN X 34 33.472 -6.268 4.481 1.00 0.00 O ATOM 501 CB GLN X 34 33.650 -6.244 1.092 1.00 0.00 C ATOM 502 CG GLN X 34 32.167 -6.573 1.201 1.00 0.00 C ATOM 503 CD GLN X 34 31.267 -5.350 1.164 1.00 0.00 C ATOM 504 OE1 GLN X 34 31.827 -4.192 0.835 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 30.067 -5.450 1.409 1.00 0.00 N flip ATOM 0 H GLN X 34 35.769 -5.000 1.008 1.00 0.00 H new ATOM 0 HA GLN X 34 33.636 -4.683 2.598 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.805 -5.605 0.222 1.00 0.00 H new ATOM 0 HB3 GLN X 34 34.202 -7.166 0.913 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.891 -7.241 0.385 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.991 -7.115 2.130 1.00 0.00 H new ATOM 0 HE21 GLN X 34 29.671 -6.356 1.658 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.467 -4.627 1.363 1.00 0.00 H new ATOM 514 N THR X 35 34.889 -7.634 3.410 1.00 0.00 N ATOM 515 CA THR X 35 34.817 -8.658 4.447 1.00 0.00 C ATOM 516 C THR X 35 35.799 -8.399 5.590 1.00 0.00 C ATOM 517 O THR X 35 35.804 -9.119 6.587 1.00 0.00 O ATOM 518 CB THR X 35 35.046 -10.038 3.833 1.00 0.00 C ATOM 519 OG1 THR X 35 36.218 -10.055 3.034 1.00 0.00 O ATOM 520 CG2 THR X 35 33.894 -10.499 2.967 1.00 0.00 C ATOM 0 H THR X 35 35.500 -7.862 2.626 1.00 0.00 H new ATOM 0 HA THR X 35 33.818 -8.620 4.881 1.00 0.00 H new ATOM 0 HB THR X 35 35.144 -10.716 4.681 1.00 0.00 H new ATOM 0 HG1 THR X 35 36.342 -10.950 2.654 1.00 0.00 H new ATOM 0 HG21 THR X 35 34.117 -11.485 2.560 1.00 0.00 H new ATOM 0 HG22 THR X 35 32.986 -10.551 3.567 1.00 0.00 H new ATOM 0 HG23 THR X 35 33.749 -9.793 2.149 1.00 0.00 H new ATOM 528 N LYS X 36 36.604 -7.349 5.471 1.00 0.00 N ATOM 529 CA LYS X 36 37.541 -6.994 6.533 1.00 0.00 C ATOM 530 C LYS X 36 37.099 -5.727 7.261 1.00 0.00 C ATOM 531 O LYS X 36 37.931 -4.981 7.774 1.00 0.00 O ATOM 532 CB LYS X 36 38.952 -6.802 5.973 1.00 0.00 C ATOM 533 CG LYS X 36 39.519 -8.040 5.300 1.00 0.00 C ATOM 534 CD LYS X 36 40.984 -7.860 4.922 1.00 0.00 C ATOM 535 CE LYS X 36 41.928 -8.271 6.049 1.00 0.00 C ATOM 536 NZ LYS X 36 41.734 -7.471 7.290 1.00 0.00 N ATOM 0 H LYS X 36 36.628 -6.733 4.658 1.00 0.00 H new ATOM 0 HA LYS X 36 37.552 -7.818 7.246 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.939 -5.983 5.254 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.617 -6.504 6.784 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.419 -8.895 5.969 1.00 0.00 H new ATOM 0 HG3 LYS X 36 38.938 -8.265 4.406 1.00 0.00 H new ATOM 0 HD2 LYS X 36 41.203 -8.452 4.034 1.00 0.00 H new ATOM 0 HD3 LYS X 36 41.164 -6.817 4.662 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.777 -9.326 6.276 1.00 0.00 H new ATOM 0 HE3 LYS X 36 42.958 -8.162 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 42.467 -7.723 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 41.805 -6.458 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 40.795 -7.672 7.689 1.00 0.00 H new ATOM 550 N ASN X 37 35.784 -5.491 7.290 1.00 0.00 N ATOM 551 CA ASN X 37 35.207 -4.309 7.942 1.00 0.00 C ATOM 552 C ASN X 37 35.732 -3.022 7.301 1.00 0.00 C ATOM 553 O ASN X 37 36.097 -2.069 7.993 1.00 0.00 O ATOM 554 CB ASN X 37 35.504 -4.322 9.450 1.00 0.00 C ATOM 555 CG ASN X 37 34.767 -3.229 10.194 1.00 0.00 C ATOM 556 OD1 ASN X 37 33.535 -3.191 10.199 1.00 0.00 O ATOM 557 ND2 ASN X 37 35.515 -2.332 10.819 1.00 0.00 N ATOM 0 H ASN X 37 35.092 -6.109 6.865 1.00 0.00 H new ATOM 0 HA ASN X 37 34.126 -4.341 7.805 1.00 0.00 H new ATOM 0 HB2 ASN X 37 35.225 -5.291 9.864 1.00 0.00 H new ATOM 0 HB3 ASN X 37 36.576 -4.205 9.607 1.00 0.00 H new ATOM 0 HD21 ASN X 37 35.074 -1.569 11.332 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.532 -2.404 10.787 1.00 0.00 H new ATOM 564 N TYR X 38 35.798 -3.023 5.970 1.00 0.00 N ATOM 565 CA TYR X 38 36.315 -1.889 5.207 1.00 0.00 C ATOM 566 C TYR X 38 37.699 -1.507 5.708 1.00 0.00 C ATOM 567 O TYR X 38 37.909 -0.427 6.260 1.00 0.00 O ATOM 568 CB TYR X 38 35.333 -0.720 5.279 1.00 0.00 C ATOM 569 CG TYR X 38 33.987 -1.072 4.692 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.800 -1.141 3.318 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.911 -1.361 5.514 1.00 0.00 C ATOM 572 CE1 TYR X 38 32.575 -1.480 2.783 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.685 -1.703 4.987 1.00 0.00 C ATOM 574 CZ TYR X 38 31.520 -1.759 3.622 1.00 0.00 C ATOM 575 OH TYR X 38 30.294 -2.088 3.093 1.00 0.00 O ATOM 0 H TYR X 38 35.496 -3.807 5.392 1.00 0.00 H new ATOM 0 HA TYR X 38 36.416 -2.169 4.158 1.00 0.00 H new ATOM 0 HB2 TYR X 38 35.207 -0.417 6.318 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.748 0.135 4.746 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.627 -0.926 2.658 1.00 0.00 H new ATOM 0 HD2 TYR X 38 33.035 -1.318 6.586 1.00 0.00 H new ATOM 0 HE1 TYR X 38 32.444 -1.526 1.712 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.856 -1.926 5.643 1.00 0.00 H new ATOM 0 HH TYR X 38 29.822 -2.686 3.709 1.00 0.00 H new ATOM 585 N ASP X 39 38.595 -2.479 5.637 1.00 0.00 N ATOM 586 CA ASP X 39 39.924 -2.345 6.219 1.00 0.00 C ATOM 587 C ASP X 39 40.823 -1.485 5.354 1.00 0.00 C ATOM 588 O ASP X 39 41.242 -1.912 4.281 1.00 0.00 O ATOM 589 CB ASP X 39 40.555 -3.726 6.385 1.00 0.00 C ATOM 590 CG ASP X 39 41.728 -3.724 7.332 1.00 0.00 C ATOM 591 OD1 ASP X 39 42.036 -2.660 7.895 1.00 0.00 O ATOM 592 OD2 ASP X 39 42.338 -4.793 7.521 1.00 0.00 O ATOM 0 H ASP X 39 38.426 -3.375 5.180 1.00 0.00 H new ATOM 0 HA ASP X 39 39.818 -1.862 7.190 1.00 0.00 H new ATOM 0 HB2 ASP X 39 39.801 -4.423 6.750 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.881 -4.091 5.411 1.00 0.00 H new ATOM 597 N ILE X 40 41.259 -0.358 5.897 1.00 0.00 N ATOM 598 CA ILE X 40 42.275 0.441 5.237 1.00 0.00 C ATOM 599 C ILE X 40 43.658 0.020 5.699 1.00 0.00 C ATOM 600 O ILE X 40 44.670 0.478 5.173 1.00 0.00 O ATOM 601 CB ILE X 40 42.094 1.958 5.460 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.621 2.268 6.889 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.121 2.513 4.437 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.121 2.492 7.014 1.00 0.00 C ATOM 0 H ILE X 40 40.928 0.019 6.785 1.00 0.00 H new ATOM 0 HA ILE X 40 42.164 0.258 4.168 1.00 0.00 H new ATOM 0 HB ILE X 40 43.063 2.441 5.331 1.00 0.00 H new ATOM 0 HG12 ILE X 40 41.910 1.445 7.542 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.141 3.156 7.247 1.00 0.00 H new ATOM 0 HG21 ILE X 40 40.996 3.584 4.598 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.510 2.340 3.434 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.157 2.015 4.544 1.00 0.00 H new ATOM 0 HD11 ILE X 40 39.870 2.705 8.053 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.826 3.335 6.389 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.591 1.597 6.689 1.00 0.00 H new ATOM 616 N GLY X 41 43.697 -0.886 6.661 1.00 0.00 N ATOM 617 CA GLY X 41 44.958 -1.384 7.144 1.00 0.00 C ATOM 618 C GLY X 41 45.522 -2.443 6.229 1.00 0.00 C ATOM 619 O GLY X 41 46.728 -2.510 5.995 1.00 0.00 O ATOM 0 H GLY X 41 42.875 -1.284 7.115 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.667 -0.560 7.229 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.828 -1.798 8.144 1.00 0.00 H new ATOM 623 N ALA X 42 44.629 -3.247 5.683 1.00 0.00 N ATOM 624 CA ALA X 42 45.007 -4.296 4.748 1.00 0.00 C ATOM 625 C ALA X 42 44.864 -3.830 3.310 1.00 0.00 C ATOM 626 O ALA X 42 45.461 -4.404 2.402 1.00 0.00 O ATOM 627 CB ALA X 42 44.172 -5.545 4.984 1.00 0.00 C ATOM 0 H ALA X 42 43.628 -3.194 5.872 1.00 0.00 H new ATOM 0 HA ALA X 42 46.056 -4.536 4.922 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.468 -6.319 4.276 1.00 0.00 H new ATOM 0 HB2 ALA X 42 44.332 -5.903 6.001 1.00 0.00 H new ATOM 0 HB3 ALA X 42 43.117 -5.309 4.844 1.00 0.00 H new ATOM 633 N ALA X 43 44.063 -2.791 3.110 1.00 0.00 N ATOM 634 CA ALA X 43 43.834 -2.245 1.774 1.00 0.00 C ATOM 635 C ALA X 43 45.110 -1.651 1.202 1.00 0.00 C ATOM 636 O ALA X 43 45.442 -1.877 0.043 1.00 0.00 O ATOM 637 CB ALA X 43 42.744 -1.188 1.799 1.00 0.00 C ATOM 0 H ALA X 43 43.560 -2.308 3.854 1.00 0.00 H new ATOM 0 HA ALA X 43 43.513 -3.068 1.135 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.593 -0.797 0.793 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.816 -1.631 2.160 1.00 0.00 H new ATOM 0 HB3 ALA X 43 43.040 -0.376 2.463 1.00 0.00 H new ATOM 643 N LEU X 44 45.821 -0.886 2.021 1.00 0.00 N ATOM 644 CA LEU X 44 47.067 -0.256 1.590 1.00 0.00 C ATOM 645 C LEU X 44 48.132 -1.308 1.311 1.00 0.00 C ATOM 646 O LEU X 44 48.972 -1.132 0.427 1.00 0.00 O ATOM 647 CB LEU X 44 47.564 0.749 2.639 1.00 0.00 C ATOM 648 CG LEU X 44 46.930 2.146 2.568 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.421 2.081 2.752 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.549 3.066 3.608 1.00 0.00 C ATOM 0 H LEU X 44 45.558 -0.686 2.986 1.00 0.00 H new ATOM 0 HA LEU X 44 46.869 0.287 0.666 1.00 0.00 H new ATOM 0 HB2 LEU X 44 47.379 0.335 3.630 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.644 0.853 2.534 1.00 0.00 H new ATOM 0 HG LEU X 44 47.130 2.551 1.576 1.00 0.00 H new ATOM 0 HD11 LEU X 44 45.004 3.087 2.696 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.985 1.463 1.967 1.00 0.00 H new ATOM 0 HD13 LEU X 44 45.191 1.646 3.725 1.00 0.00 H new ATOM 0 HD21 LEU X 44 47.088 4.051 3.543 1.00 0.00 H new ATOM 0 HD22 LEU X 44 47.384 2.653 4.603 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.620 3.154 3.425 1.00 0.00 H new ATOM 662 N ASP X 45 48.037 -2.429 2.021 1.00 0.00 N ATOM 663 CA ASP X 45 48.932 -3.568 1.828 1.00 0.00 C ATOM 664 C ASP X 45 48.774 -4.168 0.428 1.00 0.00 C ATOM 665 O ASP X 45 49.686 -4.804 -0.094 1.00 0.00 O ATOM 666 CB ASP X 45 48.634 -4.628 2.900 1.00 0.00 C ATOM 667 CG ASP X 45 49.366 -5.936 2.684 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.610 -5.928 2.657 1.00 0.00 O ATOM 669 OD2 ASP X 45 48.694 -6.976 2.552 1.00 0.00 O ATOM 0 H ASP X 45 47.336 -2.574 2.748 1.00 0.00 H new ATOM 0 HA ASP X 45 49.962 -3.226 1.924 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.903 -4.229 3.878 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.561 -4.821 2.919 1.00 0.00 H new ATOM 674 N THR X 46 47.584 -4.054 -0.131 1.00 0.00 N ATOM 675 CA THR X 46 47.294 -4.678 -1.412 1.00 0.00 C ATOM 676 C THR X 46 47.405 -3.721 -2.615 1.00 0.00 C ATOM 677 O THR X 46 47.408 -4.182 -3.756 1.00 0.00 O ATOM 678 CB THR X 46 45.915 -5.338 -1.365 1.00 0.00 C ATOM 679 OG1 THR X 46 44.990 -4.519 -0.675 1.00 0.00 O ATOM 680 CG2 THR X 46 45.918 -6.682 -0.677 1.00 0.00 C ATOM 0 H THR X 46 46.805 -3.538 0.278 1.00 0.00 H new ATOM 0 HA THR X 46 48.063 -5.433 -1.572 1.00 0.00 H new ATOM 0 HB THR X 46 45.629 -5.475 -2.408 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.304 -4.202 -1.299 1.00 0.00 H new ATOM 0 HG21 THR X 46 44.909 -7.094 -0.679 1.00 0.00 H new ATOM 0 HG22 THR X 46 46.588 -7.360 -1.206 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.260 -6.564 0.351 1.00 0.00 H new ATOM 688 N ILE X 47 47.419 -2.396 -2.398 1.00 0.00 N ATOM 689 CA ILE X 47 47.442 -1.473 -3.549 1.00 0.00 C ATOM 690 C ILE X 47 48.851 -1.037 -3.941 1.00 0.00 C ATOM 691 O ILE X 47 49.098 -0.778 -5.117 1.00 0.00 O ATOM 692 CB ILE X 47 46.633 -0.171 -3.292 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.549 0.138 -1.796 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.245 -0.226 -3.911 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.622 1.286 -1.463 1.00 0.00 C ATOM 0 H ILE X 47 47.415 -1.952 -1.480 1.00 0.00 H new ATOM 0 HA ILE X 47 46.990 -2.054 -4.353 1.00 0.00 H new ATOM 0 HB ILE X 47 47.173 0.640 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.212 -0.754 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.547 0.370 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.718 0.705 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.332 -0.363 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.689 -1.060 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.614 1.446 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE X 47 45.970 2.191 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.613 1.049 -1.802 1.00 0.00 H new ATOM 707 N GLN X 48 49.767 -0.958 -2.979 1.00 0.00 N ATOM 708 CA GLN X 48 51.142 -0.523 -3.255 1.00 0.00 C ATOM 709 C GLN X 48 52.084 -0.949 -2.135 1.00 0.00 C ATOM 710 O GLN X 48 53.197 -1.411 -2.385 1.00 0.00 O ATOM 711 CB GLN X 48 51.224 1.008 -3.418 1.00 0.00 C ATOM 712 CG GLN X 48 50.746 1.535 -4.769 1.00 0.00 C ATOM 713 CD GLN X 48 49.496 2.389 -4.663 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.496 3.426 -4.009 1.00 0.00 O ATOM 715 NE2 GLN X 48 48.423 1.951 -5.306 1.00 0.00 N ATOM 0 H GLN X 48 49.587 -1.188 -2.002 1.00 0.00 H new ATOM 0 HA GLN X 48 51.445 -0.999 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN X 48 50.631 1.475 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.257 1.320 -3.267 1.00 0.00 H new ATOM 0 HG2 GLN X 48 51.543 2.122 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN X 48 50.549 0.693 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.467 1.082 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN X 48 47.553 2.483 -5.268 1.00 0.00 H new ATOM 724 N TYR X 49 51.625 -0.788 -0.900 1.00 0.00 N ATOM 725 CA TYR X 49 52.411 -1.160 0.272 1.00 0.00 C ATOM 726 C TYR X 49 52.469 -2.668 0.420 1.00 0.00 C ATOM 727 O TYR X 49 51.907 -3.399 -0.391 1.00 0.00 O ATOM 728 CB TYR X 49 51.801 -0.553 1.534 1.00 0.00 C ATOM 729 CG TYR X 49 51.981 0.939 1.645 1.00 0.00 C ATOM 730 CD1 TYR X 49 53.238 1.488 1.851 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.898 1.799 1.547 1.00 0.00 C ATOM 732 CE1 TYR X 49 53.410 2.850 1.959 1.00 0.00 C ATOM 733 CE2 TYR X 49 51.061 3.164 1.652 1.00 0.00 C ATOM 734 CZ TYR X 49 52.319 3.685 1.859 1.00 0.00 C ATOM 735 OH TYR X 49 52.486 5.043 1.966 1.00 0.00 O ATOM 0 H TYR X 49 50.707 -0.400 -0.683 1.00 0.00 H new ATOM 0 HA TYR X 49 53.422 -0.776 0.136 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.736 -0.783 1.557 1.00 0.00 H new ATOM 0 HB3 TYR X 49 52.249 -1.029 2.407 1.00 0.00 H new ATOM 0 HD1 TYR X 49 54.096 0.837 1.928 1.00 0.00 H new ATOM 0 HD2 TYR X 49 49.910 1.393 1.386 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.395 3.261 2.121 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.207 3.821 1.572 1.00 0.00 H new ATOM 0 HH TYR X 49 51.618 5.488 1.872 1.00 0.00 H new ATOM 745 N SER X 50 53.071 -3.119 1.506 1.00 0.00 N ATOM 746 CA SER X 50 53.108 -4.533 1.817 1.00 0.00 C ATOM 747 C SER X 50 53.624 -4.735 3.237 1.00 0.00 C ATOM 748 O SER X 50 54.832 -4.880 3.448 1.00 0.00 O ATOM 749 CB SER X 50 53.983 -5.292 0.816 1.00 0.00 C ATOM 750 OG SER X 50 53.465 -6.593 0.579 1.00 0.00 O ATOM 0 H SER X 50 53.541 -2.523 2.187 1.00 0.00 H new ATOM 0 HA SER X 50 52.096 -4.931 1.745 1.00 0.00 H new ATOM 0 HB2 SER X 50 54.034 -4.739 -0.122 1.00 0.00 H new ATOM 0 HB3 SER X 50 55.001 -5.365 1.198 1.00 0.00 H new ATOM 0 HG SER X 50 54.037 -7.061 -0.064 1.00 0.00 H new ATOM 756 N LYS X 51 52.693 -4.673 4.195 1.00 0.00 N ATOM 757 CA LYS X 51 52.982 -4.784 5.633 1.00 0.00 C ATOM 758 C LYS X 51 53.404 -3.439 6.191 1.00 0.00 C ATOM 759 O LYS X 51 54.526 -3.279 6.675 1.00 0.00 O ATOM 760 CB LYS X 51 54.045 -5.851 5.943 1.00 0.00 C ATOM 761 CG LYS X 51 53.646 -7.254 5.521 1.00 0.00 C ATOM 762 CD LYS X 51 52.347 -7.683 6.174 1.00 0.00 C ATOM 763 CE LYS X 51 51.906 -9.051 5.684 1.00 0.00 C ATOM 764 NZ LYS X 51 50.640 -9.487 6.325 1.00 0.00 N ATOM 0 H LYS X 51 51.702 -4.542 3.992 1.00 0.00 H new ATOM 0 HA LYS X 51 52.061 -5.104 6.119 1.00 0.00 H new ATOM 0 HB2 LYS X 51 54.974 -5.581 5.441 1.00 0.00 H new ATOM 0 HB3 LYS X 51 54.248 -5.848 7.014 1.00 0.00 H new ATOM 0 HG2 LYS X 51 53.539 -7.292 4.437 1.00 0.00 H new ATOM 0 HG3 LYS X 51 54.437 -7.954 5.788 1.00 0.00 H new ATOM 0 HD2 LYS X 51 52.472 -7.706 7.257 1.00 0.00 H new ATOM 0 HD3 LYS X 51 51.570 -6.950 5.958 1.00 0.00 H new ATOM 0 HE2 LYS X 51 51.775 -9.024 4.602 1.00 0.00 H new ATOM 0 HE3 LYS X 51 52.688 -9.781 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 50.373 -10.425 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 50.772 -9.537 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 49.887 -8.804 6.105 1.00 0.00 H new ATOM 778 N HIS X 52 52.475 -2.487 6.115 1.00 0.00 N ATOM 779 CA HIS X 52 52.678 -1.127 6.600 1.00 0.00 C ATOM 780 C HIS X 52 53.760 -0.417 5.790 1.00 0.00 C ATOM 781 O HIS X 52 54.927 -0.414 6.223 1.00 0.00 O ATOM 782 CB HIS X 52 53.022 -1.126 8.097 1.00 0.00 C ATOM 783 CG HIS X 52 52.958 0.228 8.740 1.00 0.00 C ATOM 784 ND1 HIS X 52 53.726 1.306 8.358 1.00 0.00 N ATOM 785 CD2 HIS X 52 52.187 0.667 9.768 1.00 0.00 C ATOM 786 CE1 HIS X 52 53.407 2.341 9.144 1.00 0.00 C ATOM 787 NE2 HIS X 52 52.476 2.005 10.018 1.00 0.00 N ATOM 788 OXT HIS X 52 53.429 0.135 4.725 1.00 0.00 O ATOM 0 H HIS X 52 51.552 -2.642 5.710 1.00 0.00 H new ATOM 0 HA HIS X 52 51.745 -0.578 6.469 1.00 0.00 H new ATOM 0 HB2 HIS X 52 52.337 -1.796 8.617 1.00 0.00 H new ATOM 0 HB3 HIS X 52 54.025 -1.532 8.228 1.00 0.00 H new ATOM 0 HD2 HIS X 52 51.464 0.072 10.306 1.00 0.00 H new ATOM 0 HE1 HIS X 52 53.853 3.322 9.073 1.00 0.00 H new ATOM 0 HE2 HIS X 52 52.055 2.603 10.729 1.00 0.00 H new TER 796 HIS X 52