USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=18 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= 0.148 F(o=-2.3!,f=0.38) USER MOD Set 1.2: X 38 TYR OH : rot 83:sc= 0.228 USER MOD Single : X 1 GLY N :NH3+ -141:sc= 0.0175 (180deg=0) USER MOD Single : X 2 SER OG : rot -142:sc= 0.0848 USER MOD Single : X 13 SER OG : rot 176:sc= 1.2 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN :FLIP amide:sc= -1.1 F(o=-1.7,f=-1.1) USER MOD Single : X 17 MET CE :methyl -163:sc= -0.411 (180deg=-1.15) USER MOD Single : X 19 SER OG : rot -85:sc= 1.21 USER MOD Single : X 20 MET CE :methyl 165:sc= -0.0738 (180deg=-0.385) USER MOD Single : X 23 SER OG : rot 180:sc=-0.00677 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 35 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : X 36 LYS NZ :NH3+ -165:sc= -0.0489 (180deg=-0.3) USER MOD Single : X 37 ASN : amide:sc= -0.585 K(o=-0.58,f=-2.8!) USER MOD Single : X 46 THR OG1 : rot 126:sc= 1.97 USER MOD Single : X 48 GLN : amide:sc= -3.34! C(o=-3.3!,f=-4.8!) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 41:sc= 1.23 USER MOD Single : X 51 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.2) USER MOD Single : X 52 HIS : no HD1:sc=-0.00967 X(o=-0.0097,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 22.618 -2.476 4.263 1.00 0.00 N ATOM 2 CA GLY X 1 23.136 -1.179 4.760 1.00 0.00 C ATOM 3 C GLY X 1 22.995 -0.072 3.738 1.00 0.00 C ATOM 4 O GLY X 1 22.051 -0.062 2.945 1.00 0.00 O ATOM 0 H1 GLY X 1 22.125 -2.971 5.033 1.00 0.00 H new ATOM 0 H2 GLY X 1 21.955 -2.308 3.480 1.00 0.00 H new ATOM 0 H3 GLY X 1 23.410 -3.060 3.927 1.00 0.00 H new ATOM 0 HA2 GLY X 1 22.601 -0.901 5.668 1.00 0.00 H new ATOM 0 HA3 GLY X 1 24.186 -1.290 5.029 1.00 0.00 H new ATOM 10 N SER X 2 23.947 0.849 3.739 1.00 0.00 N ATOM 11 CA SER X 2 23.950 1.957 2.793 1.00 0.00 C ATOM 12 C SER X 2 24.559 1.512 1.464 1.00 0.00 C ATOM 13 O SER X 2 25.464 0.676 1.450 1.00 0.00 O ATOM 14 CB SER X 2 24.751 3.125 3.382 1.00 0.00 C ATOM 15 OG SER X 2 24.780 4.244 2.511 1.00 0.00 O ATOM 0 H SER X 2 24.733 0.851 4.389 1.00 0.00 H new ATOM 0 HA SER X 2 22.925 2.281 2.611 1.00 0.00 H new ATOM 0 HB2 SER X 2 24.314 3.420 4.336 1.00 0.00 H new ATOM 0 HB3 SER X 2 25.771 2.798 3.586 1.00 0.00 H new ATOM 0 HG SER X 2 25.662 4.670 2.555 1.00 0.00 H new ATOM 21 N PRO X 3 24.075 2.064 0.331 1.00 0.00 N ATOM 22 CA PRO X 3 24.595 1.725 -1.002 1.00 0.00 C ATOM 23 C PRO X 3 26.119 1.827 -1.066 1.00 0.00 C ATOM 24 O PRO X 3 26.712 2.721 -0.456 1.00 0.00 O ATOM 25 CB PRO X 3 23.950 2.775 -1.910 1.00 0.00 C ATOM 26 CG PRO X 3 22.692 3.160 -1.211 1.00 0.00 C ATOM 27 CD PRO X 3 22.989 3.063 0.261 1.00 0.00 C ATOM 0 HA PRO X 3 24.363 0.698 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO X 3 24.605 3.635 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO X 3 23.744 2.369 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO X 3 22.389 4.171 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO X 3 21.873 2.497 -1.488 1.00 0.00 H new ATOM 0 HD2 PRO X 3 23.301 4.024 0.671 1.00 0.00 H new ATOM 0 HD3 PRO X 3 22.114 2.744 0.827 1.00 0.00 H new ATOM 35 N PRO X 4 26.780 0.856 -1.727 1.00 0.00 N ATOM 36 CA PRO X 4 28.249 0.776 -1.775 1.00 0.00 C ATOM 37 C PRO X 4 28.901 1.867 -2.630 1.00 0.00 C ATOM 38 O PRO X 4 29.925 1.631 -3.271 1.00 0.00 O ATOM 39 CB PRO X 4 28.523 -0.608 -2.386 1.00 0.00 C ATOM 40 CG PRO X 4 27.226 -1.343 -2.317 1.00 0.00 C ATOM 41 CD PRO X 4 26.152 -0.296 -2.389 1.00 0.00 C ATOM 0 HA PRO X 4 28.673 0.920 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO X 4 28.869 -0.520 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO X 4 29.301 -1.134 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO X 4 27.135 -2.052 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO X 4 27.151 -1.916 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO X 4 25.875 -0.070 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO X 4 25.243 -0.612 -1.877 1.00 0.00 H new ATOM 49 N GLU X 5 28.357 3.076 -2.564 1.00 0.00 N ATOM 50 CA GLU X 5 28.938 4.222 -3.256 1.00 0.00 C ATOM 51 C GLU X 5 29.013 5.415 -2.314 1.00 0.00 C ATOM 52 O GLU X 5 29.314 6.531 -2.732 1.00 0.00 O ATOM 53 CB GLU X 5 28.107 4.597 -4.491 1.00 0.00 C ATOM 54 CG GLU X 5 27.845 3.440 -5.445 1.00 0.00 C ATOM 55 CD GLU X 5 29.089 2.949 -6.151 1.00 0.00 C ATOM 56 OE1 GLU X 5 30.149 3.588 -6.018 1.00 0.00 O ATOM 57 OE2 GLU X 5 29.001 1.921 -6.847 1.00 0.00 O ATOM 0 H GLU X 5 27.511 3.290 -2.036 1.00 0.00 H new ATOM 0 HA GLU X 5 29.942 3.948 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU X 5 27.151 5.004 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU X 5 28.621 5.390 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU X 5 27.402 2.614 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU X 5 27.113 3.752 -6.190 1.00 0.00 H new ATOM 64 N ALA X 6 28.711 5.150 -1.046 1.00 0.00 N ATOM 65 CA ALA X 6 28.694 6.158 0.014 1.00 0.00 C ATOM 66 C ALA X 6 28.147 5.524 1.278 1.00 0.00 C ATOM 67 O ALA X 6 27.050 5.848 1.742 1.00 0.00 O ATOM 68 CB ALA X 6 27.860 7.374 -0.363 1.00 0.00 C ATOM 0 H ALA X 6 28.467 4.215 -0.719 1.00 0.00 H new ATOM 0 HA ALA X 6 29.714 6.508 0.172 1.00 0.00 H new ATOM 0 HB1 ALA X 6 27.877 8.095 0.455 1.00 0.00 H new ATOM 0 HB2 ALA X 6 28.273 7.834 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA X 6 26.832 7.065 -0.553 1.00 0.00 H new ATOM 74 N ASP X 7 28.909 4.585 1.795 1.00 0.00 N ATOM 75 CA ASP X 7 28.528 3.838 2.975 1.00 0.00 C ATOM 76 C ASP X 7 29.389 4.318 4.122 1.00 0.00 C ATOM 77 O ASP X 7 30.508 4.737 3.879 1.00 0.00 O ATOM 78 CB ASP X 7 28.760 2.338 2.702 1.00 0.00 C ATOM 79 CG ASP X 7 28.342 1.430 3.836 1.00 0.00 C ATOM 80 OD1 ASP X 7 27.144 1.406 4.172 1.00 0.00 O ATOM 81 OD2 ASP X 7 29.211 0.729 4.385 1.00 0.00 O ATOM 0 H ASP X 7 29.814 4.317 1.408 1.00 0.00 H new ATOM 0 HA ASP X 7 27.478 3.987 3.225 1.00 0.00 H new ATOM 0 HB2 ASP X 7 28.212 2.055 1.804 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.818 2.177 2.494 1.00 0.00 H new ATOM 86 N PRO X 8 28.904 4.291 5.376 1.00 0.00 N ATOM 87 CA PRO X 8 29.697 4.736 6.532 1.00 0.00 C ATOM 88 C PRO X 8 31.117 4.149 6.532 1.00 0.00 C ATOM 89 O PRO X 8 32.031 4.716 7.123 1.00 0.00 O ATOM 90 CB PRO X 8 28.905 4.200 7.722 1.00 0.00 C ATOM 91 CG PRO X 8 27.493 4.130 7.247 1.00 0.00 C ATOM 92 CD PRO X 8 27.551 3.849 5.768 1.00 0.00 C ATOM 0 HA PRO X 8 29.837 5.817 6.539 1.00 0.00 H new ATOM 0 HB2 PRO X 8 29.268 3.218 8.027 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.998 4.857 8.586 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.947 3.345 7.770 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.971 5.066 7.443 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.399 2.791 5.556 1.00 0.00 H new ATOM 0 HD3 PRO X 8 26.779 4.396 5.227 1.00 0.00 H new ATOM 100 N ARG X 9 31.284 3.032 5.827 1.00 0.00 N ATOM 101 CA ARG X 9 32.575 2.363 5.688 1.00 0.00 C ATOM 102 C ARG X 9 33.395 2.919 4.516 1.00 0.00 C ATOM 103 O ARG X 9 34.614 2.817 4.505 1.00 0.00 O ATOM 104 CB ARG X 9 32.339 0.880 5.444 1.00 0.00 C ATOM 105 CG ARG X 9 31.529 0.190 6.531 1.00 0.00 C ATOM 106 CD ARG X 9 31.184 -1.239 6.128 1.00 0.00 C ATOM 107 NE ARG X 9 30.364 -1.931 7.118 1.00 0.00 N ATOM 108 CZ ARG X 9 29.092 -1.635 7.379 1.00 0.00 C ATOM 109 NH1 ARG X 9 28.478 -0.665 6.714 1.00 0.00 N ATOM 110 NH2 ARG X 9 28.429 -2.322 8.297 1.00 0.00 N ATOM 0 H ARG X 9 30.524 2.564 5.334 1.00 0.00 H new ATOM 0 HA ARG X 9 33.135 2.534 6.607 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.825 0.757 4.491 1.00 0.00 H new ATOM 0 HB3 ARG X 9 33.303 0.380 5.353 1.00 0.00 H new ATOM 0 HG2 ARG X 9 32.095 0.183 7.463 1.00 0.00 H new ATOM 0 HG3 ARG X 9 30.613 0.750 6.719 1.00 0.00 H new ATOM 0 HD2 ARG X 9 30.656 -1.224 5.174 1.00 0.00 H new ATOM 0 HD3 ARG X 9 32.106 -1.799 5.973 1.00 0.00 H new ATOM 0 HE ARG X 9 30.794 -2.692 7.645 1.00 0.00 H new ATOM 0 HH11 ARG X 9 28.980 -0.141 5.998 1.00 0.00 H new ATOM 0 HH12 ARG X 9 27.504 -0.444 6.919 1.00 0.00 H new ATOM 0 HH21 ARG X 9 28.893 -3.077 8.803 1.00 0.00 H new ATOM 0 HH22 ARG X 9 27.455 -2.096 8.498 1.00 0.00 H new ATOM 124 N LEU X 10 32.718 3.419 3.491 1.00 0.00 N ATOM 125 CA LEU X 10 33.375 3.889 2.282 1.00 0.00 C ATOM 126 C LEU X 10 33.552 5.393 2.319 1.00 0.00 C ATOM 127 O LEU X 10 34.526 5.920 1.792 1.00 0.00 O ATOM 128 CB LEU X 10 32.563 3.483 1.053 1.00 0.00 C ATOM 129 CG LEU X 10 32.447 1.975 0.830 1.00 0.00 C ATOM 130 CD1 LEU X 10 31.505 1.675 -0.317 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.815 1.371 0.561 1.00 0.00 C ATOM 0 H LEU X 10 31.702 3.509 3.475 1.00 0.00 H new ATOM 0 HA LEU X 10 34.361 3.429 2.223 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.560 3.901 1.143 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.017 3.933 0.170 1.00 0.00 H new ATOM 0 HG LEU X 10 32.040 1.526 1.736 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.437 0.596 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.517 2.075 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU X 10 31.883 2.138 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU X 10 33.714 0.297 0.405 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.246 1.829 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.468 1.554 1.415 1.00 0.00 H new ATOM 143 N ILE X 11 32.667 6.067 3.038 1.00 0.00 N ATOM 144 CA ILE X 11 32.796 7.498 3.249 1.00 0.00 C ATOM 145 C ILE X 11 34.091 7.785 3.996 1.00 0.00 C ATOM 146 O ILE X 11 34.734 8.812 3.785 1.00 0.00 O ATOM 147 CB ILE X 11 31.588 8.062 4.037 1.00 0.00 C ATOM 148 CG1 ILE X 11 30.290 7.797 3.277 1.00 0.00 C ATOM 149 CG2 ILE X 11 31.741 9.552 4.296 1.00 0.00 C ATOM 150 CD1 ILE X 11 29.059 8.322 3.982 1.00 0.00 C ATOM 0 H ILE X 11 31.853 5.645 3.484 1.00 0.00 H new ATOM 0 HA ILE X 11 32.817 7.990 2.277 1.00 0.00 H new ATOM 0 HB ILE X 11 31.553 7.552 5.000 1.00 0.00 H new ATOM 0 HG12 ILE X 11 30.356 8.255 2.290 1.00 0.00 H new ATOM 0 HG13 ILE X 11 30.181 6.723 3.124 1.00 0.00 H new ATOM 0 HG21 ILE X 11 30.876 9.916 4.851 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.646 9.729 4.877 1.00 0.00 H new ATOM 0 HG23 ILE X 11 31.811 10.081 3.346 1.00 0.00 H new ATOM 0 HD11 ILE X 11 28.175 8.098 3.385 1.00 0.00 H new ATOM 0 HD12 ILE X 11 28.968 7.846 4.958 1.00 0.00 H new ATOM 0 HD13 ILE X 11 29.146 9.401 4.111 1.00 0.00 H new ATOM 162 N GLU X 12 34.553 6.795 4.743 1.00 0.00 N ATOM 163 CA GLU X 12 35.868 6.880 5.355 1.00 0.00 C ATOM 164 C GLU X 12 36.934 6.173 4.514 1.00 0.00 C ATOM 165 O GLU X 12 37.997 6.732 4.267 1.00 0.00 O ATOM 166 CB GLU X 12 35.862 6.330 6.787 1.00 0.00 C ATOM 167 CG GLU X 12 35.127 5.011 6.960 1.00 0.00 C ATOM 168 CD GLU X 12 35.393 4.387 8.309 1.00 0.00 C ATOM 169 OE1 GLU X 12 35.400 5.129 9.312 1.00 0.00 O ATOM 170 OE2 GLU X 12 35.584 3.158 8.371 1.00 0.00 O ATOM 0 H GLU X 12 34.044 5.933 4.938 1.00 0.00 H new ATOM 0 HA GLU X 12 36.124 7.939 5.400 1.00 0.00 H new ATOM 0 HB2 GLU X 12 36.893 6.201 7.116 1.00 0.00 H new ATOM 0 HB3 GLU X 12 35.408 7.072 7.444 1.00 0.00 H new ATOM 0 HG2 GLU X 12 34.056 5.175 6.841 1.00 0.00 H new ATOM 0 HG3 GLU X 12 35.433 4.320 6.174 1.00 0.00 H new ATOM 177 N SER X 13 36.736 4.880 4.277 1.00 0.00 N ATOM 178 CA SER X 13 37.788 4.036 3.711 1.00 0.00 C ATOM 179 C SER X 13 37.928 4.144 2.189 1.00 0.00 C ATOM 180 O SER X 13 39.020 3.931 1.658 1.00 0.00 O ATOM 181 CB SER X 13 37.540 2.580 4.096 1.00 0.00 C ATOM 182 OG SER X 13 37.449 2.439 5.501 1.00 0.00 O ATOM 0 H SER X 13 35.860 4.393 4.467 1.00 0.00 H new ATOM 0 HA SER X 13 38.726 4.400 4.131 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.619 2.228 3.631 1.00 0.00 H new ATOM 0 HB3 SER X 13 38.348 1.956 3.715 1.00 0.00 H new ATOM 0 HG SER X 13 37.231 1.510 5.723 1.00 0.00 H new ATOM 188 N LEU X 14 36.863 4.490 1.476 1.00 0.00 N ATOM 189 CA LEU X 14 36.962 4.620 0.034 1.00 0.00 C ATOM 190 C LEU X 14 37.267 6.057 -0.299 1.00 0.00 C ATOM 191 O LEU X 14 38.036 6.360 -1.206 1.00 0.00 O ATOM 192 CB LEU X 14 35.662 4.182 -0.645 1.00 0.00 C ATOM 193 CG LEU X 14 35.725 4.071 -2.169 1.00 0.00 C ATOM 194 CD1 LEU X 14 36.677 2.961 -2.588 1.00 0.00 C ATOM 195 CD2 LEU X 14 34.339 3.827 -2.744 1.00 0.00 C ATOM 0 H LEU X 14 35.940 4.682 1.866 1.00 0.00 H new ATOM 0 HA LEU X 14 37.760 3.975 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.368 3.214 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU X 14 34.877 4.891 -0.381 1.00 0.00 H new ATOM 0 HG LEU X 14 36.102 5.014 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.707 2.899 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU X 14 37.676 3.176 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU X 14 36.331 2.011 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU X 14 34.404 3.751 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU X 14 33.935 2.899 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU X 14 33.683 4.656 -2.477 1.00 0.00 H new ATOM 207 N SER X 15 36.619 6.941 0.428 1.00 0.00 N ATOM 208 CA SER X 15 36.766 8.361 0.199 1.00 0.00 C ATOM 209 C SER X 15 38.192 8.843 0.500 1.00 0.00 C ATOM 210 O SER X 15 38.640 9.847 -0.058 1.00 0.00 O ATOM 211 CB SER X 15 35.746 9.135 1.034 1.00 0.00 C ATOM 212 OG SER X 15 35.767 10.521 0.731 1.00 0.00 O ATOM 0 H SER X 15 35.982 6.699 1.187 1.00 0.00 H new ATOM 0 HA SER X 15 36.578 8.551 -0.858 1.00 0.00 H new ATOM 0 HB2 SER X 15 34.748 8.737 0.851 1.00 0.00 H new ATOM 0 HB3 SER X 15 35.957 8.990 2.093 1.00 0.00 H new ATOM 0 HG SER X 15 35.102 10.986 1.281 1.00 0.00 H new ATOM 218 N GLN X 16 38.907 8.139 1.386 1.00 0.00 N ATOM 219 CA GLN X 16 40.267 8.544 1.739 1.00 0.00 C ATOM 220 C GLN X 16 41.253 8.222 0.621 1.00 0.00 C ATOM 221 O GLN X 16 42.259 8.905 0.462 1.00 0.00 O ATOM 222 CB GLN X 16 40.719 7.914 3.072 1.00 0.00 C ATOM 223 CG GLN X 16 40.838 6.394 3.080 1.00 0.00 C ATOM 224 CD GLN X 16 42.193 5.897 2.610 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.186 4.947 1.690 1.00 0.00 O flip ATOM 226 NE2 GLN X 16 43.235 6.351 3.086 1.00 0.00 N flip ATOM 0 H GLN X 16 38.572 7.302 1.862 1.00 0.00 H new ATOM 0 HA GLN X 16 40.255 9.626 1.872 1.00 0.00 H new ATOM 0 HB2 GLN X 16 41.687 8.337 3.343 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.014 8.209 3.849 1.00 0.00 H new ATOM 0 HG2 GLN X 16 40.654 6.027 4.090 1.00 0.00 H new ATOM 0 HG3 GLN X 16 40.062 5.972 2.441 1.00 0.00 H new ATOM 0 HE21 GLN X 16 43.195 7.084 3.794 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.137 5.994 2.772 1.00 0.00 H new ATOM 235 N MET X 17 40.944 7.210 -0.182 1.00 0.00 N ATOM 236 CA MET X 17 41.804 6.861 -1.304 1.00 0.00 C ATOM 237 C MET X 17 41.332 7.550 -2.575 1.00 0.00 C ATOM 238 O MET X 17 42.132 7.838 -3.466 1.00 0.00 O ATOM 239 CB MET X 17 41.861 5.342 -1.509 1.00 0.00 C ATOM 240 CG MET X 17 40.504 4.679 -1.666 1.00 0.00 C ATOM 241 SD MET X 17 40.632 2.935 -2.091 1.00 0.00 S ATOM 242 CE MET X 17 41.462 3.038 -3.674 1.00 0.00 C ATOM 0 H MET X 17 40.115 6.624 -0.079 1.00 0.00 H new ATOM 0 HA MET X 17 42.811 7.208 -1.072 1.00 0.00 H new ATOM 0 HB2 MET X 17 42.460 5.129 -2.394 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.376 4.892 -0.660 1.00 0.00 H new ATOM 0 HG2 MET X 17 39.943 4.783 -0.737 1.00 0.00 H new ATOM 0 HG3 MET X 17 39.938 5.197 -2.440 1.00 0.00 H new ATOM 0 HE1 MET X 17 41.349 2.093 -4.206 1.00 0.00 H new ATOM 0 HE2 MET X 17 41.022 3.842 -4.264 1.00 0.00 H new ATOM 0 HE3 MET X 17 42.521 3.242 -3.517 1.00 0.00 H new ATOM 252 N LEU X 18 40.032 7.826 -2.648 1.00 0.00 N ATOM 253 CA LEU X 18 39.464 8.497 -3.811 1.00 0.00 C ATOM 254 C LEU X 18 39.970 9.932 -3.921 1.00 0.00 C ATOM 255 O LEU X 18 40.172 10.442 -5.019 1.00 0.00 O ATOM 256 CB LEU X 18 37.935 8.484 -3.742 1.00 0.00 C ATOM 257 CG LEU X 18 37.250 7.426 -4.615 1.00 0.00 C ATOM 258 CD1 LEU X 18 37.845 6.047 -4.378 1.00 0.00 C ATOM 259 CD2 LEU X 18 35.755 7.407 -4.347 1.00 0.00 C ATOM 0 H LEU X 18 39.357 7.596 -1.919 1.00 0.00 H new ATOM 0 HA LEU X 18 39.784 7.953 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU X 18 37.636 8.326 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU X 18 37.566 9.467 -4.034 1.00 0.00 H new ATOM 0 HG LEU X 18 37.419 7.691 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU X 18 37.339 5.319 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU X 18 38.907 6.063 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU X 18 37.716 5.770 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU X 18 35.283 6.651 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU X 18 35.576 7.172 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU X 18 35.332 8.385 -4.576 1.00 0.00 H new ATOM 271 N SER X 19 40.162 10.582 -2.784 1.00 0.00 N ATOM 272 CA SER X 19 40.628 11.962 -2.775 1.00 0.00 C ATOM 273 C SER X 19 42.155 12.042 -2.801 1.00 0.00 C ATOM 274 O SER X 19 42.724 13.047 -3.231 1.00 0.00 O ATOM 275 CB SER X 19 40.081 12.688 -1.547 1.00 0.00 C ATOM 276 OG SER X 19 40.333 11.944 -0.367 1.00 0.00 O ATOM 0 H SER X 19 40.004 10.180 -1.860 1.00 0.00 H new ATOM 0 HA SER X 19 40.257 12.448 -3.678 1.00 0.00 H new ATOM 0 HB2 SER X 19 40.541 13.673 -1.466 1.00 0.00 H new ATOM 0 HB3 SER X 19 39.008 12.846 -1.660 1.00 0.00 H new ATOM 0 HG SER X 19 39.620 11.284 -0.238 1.00 0.00 H new ATOM 282 N MET X 20 42.816 11.016 -2.275 1.00 0.00 N ATOM 283 CA MET X 20 44.273 11.027 -2.173 1.00 0.00 C ATOM 284 C MET X 20 44.932 10.646 -3.498 1.00 0.00 C ATOM 285 O MET X 20 46.019 11.131 -3.817 1.00 0.00 O ATOM 286 CB MET X 20 44.734 10.077 -1.065 1.00 0.00 C ATOM 287 CG MET X 20 46.228 10.137 -0.781 1.00 0.00 C ATOM 288 SD MET X 20 46.791 11.795 -0.345 1.00 0.00 S ATOM 289 CE MET X 20 45.849 12.102 1.148 1.00 0.00 C ATOM 0 H MET X 20 42.371 10.172 -1.915 1.00 0.00 H new ATOM 0 HA MET X 20 44.580 12.043 -1.926 1.00 0.00 H new ATOM 0 HB2 MET X 20 44.191 10.312 -0.150 1.00 0.00 H new ATOM 0 HB3 MET X 20 44.468 9.057 -1.341 1.00 0.00 H new ATOM 0 HG2 MET X 20 46.466 9.452 0.032 1.00 0.00 H new ATOM 0 HG3 MET X 20 46.774 9.792 -1.659 1.00 0.00 H new ATOM 0 HE1 MET X 20 46.273 12.955 1.677 1.00 0.00 H new ATOM 0 HE2 MET X 20 44.813 12.316 0.887 1.00 0.00 H new ATOM 0 HE3 MET X 20 45.887 11.222 1.790 1.00 0.00 H new ATOM 299 N GLY X 21 44.287 9.777 -4.266 1.00 0.00 N ATOM 300 CA GLY X 21 44.860 9.361 -5.530 1.00 0.00 C ATOM 301 C GLY X 21 45.403 7.951 -5.474 1.00 0.00 C ATOM 302 O GLY X 21 46.503 7.680 -5.962 1.00 0.00 O ATOM 0 H GLY X 21 43.386 9.357 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY X 21 44.101 9.426 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY X 21 45.661 10.046 -5.807 1.00 0.00 H new ATOM 306 N PHE X 22 44.602 7.038 -4.940 1.00 0.00 N ATOM 307 CA PHE X 22 44.962 5.637 -4.891 1.00 0.00 C ATOM 308 C PHE X 22 44.091 4.896 -5.871 1.00 0.00 C ATOM 309 O PHE X 22 43.103 5.452 -6.360 1.00 0.00 O ATOM 310 CB PHE X 22 44.759 5.074 -3.484 1.00 0.00 C ATOM 311 CG PHE X 22 45.708 5.618 -2.448 1.00 0.00 C ATOM 312 CD1 PHE X 22 46.839 6.327 -2.816 1.00 0.00 C ATOM 313 CD2 PHE X 22 45.470 5.402 -1.100 1.00 0.00 C ATOM 314 CE1 PHE X 22 47.712 6.810 -1.862 1.00 0.00 C ATOM 315 CE2 PHE X 22 46.340 5.879 -0.143 1.00 0.00 C ATOM 316 CZ PHE X 22 47.461 6.584 -0.523 1.00 0.00 C ATOM 0 H PHE X 22 43.692 7.251 -4.533 1.00 0.00 H new ATOM 0 HA PHE X 22 46.014 5.519 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE X 22 43.737 5.283 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE X 22 44.866 3.990 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.041 6.504 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE X 22 44.591 4.853 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE X 22 48.589 7.363 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE X 22 46.143 5.700 0.904 1.00 0.00 H new ATOM 0 HZ PHE X 22 48.143 6.960 0.226 1.00 0.00 H new ATOM 326 N SER X 23 44.418 3.653 -6.151 1.00 0.00 N ATOM 327 CA SER X 23 43.615 2.889 -7.073 1.00 0.00 C ATOM 328 C SER X 23 43.585 1.424 -6.677 1.00 0.00 C ATOM 329 O SER X 23 44.297 1.006 -5.762 1.00 0.00 O ATOM 330 CB SER X 23 44.166 3.015 -8.498 1.00 0.00 C ATOM 331 OG SER X 23 44.290 4.372 -8.893 1.00 0.00 O ATOM 0 H SER X 23 45.220 3.159 -5.760 1.00 0.00 H new ATOM 0 HA SER X 23 42.601 3.288 -7.040 1.00 0.00 H new ATOM 0 HB2 SER X 23 45.140 2.528 -8.556 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.506 2.493 -9.191 1.00 0.00 H new ATOM 0 HG SER X 23 44.645 4.416 -9.805 1.00 0.00 H new ATOM 337 N ASP X 24 42.882 0.632 -7.472 1.00 0.00 N ATOM 338 CA ASP X 24 42.896 -0.814 -7.322 1.00 0.00 C ATOM 339 C ASP X 24 44.188 -1.351 -7.928 1.00 0.00 C ATOM 340 O ASP X 24 44.545 -0.973 -9.044 1.00 0.00 O ATOM 341 CB ASP X 24 41.692 -1.423 -8.048 1.00 0.00 C ATOM 342 CG ASP X 24 41.347 -2.810 -7.564 1.00 0.00 C ATOM 343 OD1 ASP X 24 42.271 -3.604 -7.318 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.142 -3.111 -7.452 1.00 0.00 O ATOM 0 H ASP X 24 42.291 0.970 -8.232 1.00 0.00 H new ATOM 0 HA ASP X 24 42.840 -1.079 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP X 24 40.828 -0.773 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP X 24 41.901 -1.459 -9.117 1.00 0.00 H new ATOM 349 N GLU X 25 44.893 -2.222 -7.214 1.00 0.00 N ATOM 350 CA GLU X 25 46.139 -2.773 -7.743 1.00 0.00 C ATOM 351 C GLU X 25 45.835 -3.846 -8.788 1.00 0.00 C ATOM 352 O GLU X 25 46.683 -4.188 -9.612 1.00 0.00 O ATOM 353 CB GLU X 25 47.013 -3.347 -6.617 1.00 0.00 C ATOM 354 CG GLU X 25 48.436 -3.661 -7.044 1.00 0.00 C ATOM 355 CD GLU X 25 49.169 -4.518 -6.039 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.534 -4.983 -5.072 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.377 -4.747 -6.231 1.00 0.00 O ATOM 0 H GLU X 25 44.632 -2.557 -6.287 1.00 0.00 H new ATOM 0 HA GLU X 25 46.697 -1.966 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.040 -2.635 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.548 -4.257 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU X 25 48.418 -4.172 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.982 -2.729 -7.188 1.00 0.00 H new ATOM 364 N GLY X 26 44.599 -4.315 -8.790 1.00 0.00 N ATOM 365 CA GLY X 26 44.164 -5.282 -9.777 1.00 0.00 C ATOM 366 C GLY X 26 42.658 -5.303 -9.906 1.00 0.00 C ATOM 367 O GLY X 26 42.092 -4.641 -10.776 1.00 0.00 O ATOM 0 H GLY X 26 43.881 -4.041 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.610 -5.043 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.520 -6.274 -9.498 1.00 0.00 H new ATOM 371 N GLY X 27 42.004 -5.990 -8.978 1.00 0.00 N ATOM 372 CA GLY X 27 40.553 -6.006 -8.937 1.00 0.00 C ATOM 373 C GLY X 27 40.057 -6.468 -7.590 1.00 0.00 C ATOM 374 O GLY X 27 39.059 -7.181 -7.491 1.00 0.00 O ATOM 0 H GLY X 27 42.456 -6.540 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.168 -5.008 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY X 27 40.171 -6.666 -9.716 1.00 0.00 H new ATOM 378 N TRP X 28 40.822 -6.137 -6.562 1.00 0.00 N ATOM 379 CA TRP X 28 40.543 -6.588 -5.205 1.00 0.00 C ATOM 380 C TRP X 28 39.816 -5.537 -4.376 1.00 0.00 C ATOM 381 O TRP X 28 39.507 -5.804 -3.231 1.00 0.00 O ATOM 382 CB TRP X 28 41.850 -6.943 -4.491 1.00 0.00 C ATOM 383 CG TRP X 28 42.865 -5.851 -4.615 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.842 -5.753 -5.554 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.961 -4.668 -3.808 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.545 -4.595 -5.374 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.021 -3.909 -4.315 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.252 -4.180 -2.710 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.392 -2.688 -3.764 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.618 -2.972 -2.161 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.676 -2.235 -2.692 1.00 0.00 C ATOM 0 H TRP X 28 41.652 -5.550 -6.643 1.00 0.00 H new ATOM 0 HA TRP X 28 39.897 -7.461 -5.295 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.648 -7.134 -3.437 1.00 0.00 H new ATOM 0 HB3 TRP X 28 42.254 -7.864 -4.910 1.00 0.00 H new ATOM 0 HD1 TRP X 28 44.034 -6.482 -6.328 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.336 -4.291 -5.941 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.428 -4.742 -2.297 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.216 -2.118 -4.168 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 42.078 -2.590 -1.307 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.935 -1.286 -2.246 1.00 0.00 H new ATOM 402 N LEU X 29 39.821 -4.285 -4.826 1.00 0.00 N ATOM 403 CA LEU X 29 39.443 -3.173 -3.941 1.00 0.00 C ATOM 404 C LEU X 29 38.102 -3.398 -3.230 1.00 0.00 C ATOM 405 O LEU X 29 38.021 -3.255 -2.013 1.00 0.00 O ATOM 406 CB LEU X 29 39.451 -1.839 -4.694 1.00 0.00 C ATOM 407 CG LEU X 29 39.069 -0.620 -3.857 1.00 0.00 C ATOM 408 CD1 LEU X 29 40.091 -0.383 -2.759 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.942 0.607 -4.740 1.00 0.00 C ATOM 0 H LEU X 29 40.076 -4.012 -5.775 1.00 0.00 H new ATOM 0 HA LEU X 29 40.202 -3.133 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.447 -1.679 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU X 29 38.764 -1.911 -5.537 1.00 0.00 H new ATOM 0 HG LEU X 29 38.104 -0.812 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU X 29 39.801 0.490 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU X 29 40.136 -1.257 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU X 29 41.071 -0.212 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.669 1.468 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.894 0.800 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.171 0.436 -5.491 1.00 0.00 H new ATOM 421 N THR X 30 37.063 -3.785 -3.960 1.00 0.00 N ATOM 422 CA THR X 30 35.768 -4.048 -3.330 1.00 0.00 C ATOM 423 C THR X 30 35.765 -5.391 -2.588 1.00 0.00 C ATOM 424 O THR X 30 34.834 -5.689 -1.844 1.00 0.00 O ATOM 425 CB THR X 30 34.637 -3.997 -4.365 1.00 0.00 C ATOM 426 OG1 THR X 30 34.897 -4.866 -5.454 1.00 0.00 O ATOM 427 CG2 THR X 30 34.408 -2.611 -4.930 1.00 0.00 C ATOM 0 H THR X 30 37.086 -3.923 -4.970 1.00 0.00 H new ATOM 0 HA THR X 30 35.596 -3.263 -2.594 1.00 0.00 H new ATOM 0 HB THR X 30 33.744 -4.309 -3.823 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.159 -4.814 -6.097 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.595 -2.644 -5.656 1.00 0.00 H new ATOM 0 HG22 THR X 30 34.146 -1.928 -4.122 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.318 -2.263 -5.419 1.00 0.00 H new ATOM 435 N ARG X 31 36.802 -6.192 -2.803 1.00 0.00 N ATOM 436 CA ARG X 31 36.924 -7.504 -2.166 1.00 0.00 C ATOM 437 C ARG X 31 37.758 -7.434 -0.878 1.00 0.00 C ATOM 438 O ARG X 31 37.296 -7.848 0.186 1.00 0.00 O ATOM 439 CB ARG X 31 37.528 -8.503 -3.166 1.00 0.00 C ATOM 440 CG ARG X 31 38.273 -9.668 -2.534 1.00 0.00 C ATOM 441 CD ARG X 31 38.608 -10.735 -3.560 1.00 0.00 C ATOM 442 NE ARG X 31 39.555 -11.716 -3.038 1.00 0.00 N ATOM 443 CZ ARG X 31 39.898 -12.831 -3.677 1.00 0.00 C ATOM 444 NH1 ARG X 31 39.326 -13.147 -4.831 1.00 0.00 N ATOM 445 NH2 ARG X 31 40.804 -13.641 -3.151 1.00 0.00 N ATOM 0 H ARG X 31 37.579 -5.955 -3.420 1.00 0.00 H new ATOM 0 HA ARG X 31 35.930 -7.845 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG X 31 36.727 -8.898 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG X 31 38.212 -7.967 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG X 31 39.191 -9.306 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.665 -10.103 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG X 31 37.694 -11.242 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG X 31 39.027 -10.264 -4.449 1.00 0.00 H new ATOM 0 HE ARG X 31 39.979 -11.535 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG X 31 38.618 -12.533 -5.234 1.00 0.00 H new ATOM 0 HH12 ARG X 31 39.594 -14.004 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG X 31 41.238 -13.409 -2.257 1.00 0.00 H new ATOM 0 HH22 ARG X 31 41.068 -14.496 -3.640 1.00 0.00 H new ATOM 459 N LEU X 32 38.980 -6.905 -0.991 1.00 0.00 N ATOM 460 CA LEU X 32 39.902 -6.757 0.138 1.00 0.00 C ATOM 461 C LEU X 32 39.220 -6.031 1.288 1.00 0.00 C ATOM 462 O LEU X 32 39.247 -6.488 2.431 1.00 0.00 O ATOM 463 CB LEU X 32 41.141 -5.973 -0.332 1.00 0.00 C ATOM 464 CG LEU X 32 42.371 -5.949 0.594 1.00 0.00 C ATOM 465 CD1 LEU X 32 42.136 -5.083 1.820 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.768 -7.356 0.997 1.00 0.00 C ATOM 0 H LEU X 32 39.359 -6.565 -1.875 1.00 0.00 H new ATOM 0 HA LEU X 32 40.205 -7.742 0.494 1.00 0.00 H new ATOM 0 HB2 LEU X 32 41.453 -6.384 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.837 -4.942 -0.511 1.00 0.00 H new ATOM 0 HG LEU X 32 43.194 -5.505 0.033 1.00 0.00 H new ATOM 0 HD11 LEU X 32 43.027 -5.092 2.448 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.922 -4.061 1.508 1.00 0.00 H new ATOM 0 HD13 LEU X 32 41.290 -5.474 2.385 1.00 0.00 H new ATOM 0 HD21 LEU X 32 43.639 -7.315 1.651 1.00 0.00 H new ATOM 0 HD22 LEU X 32 41.940 -7.831 1.524 1.00 0.00 H new ATOM 0 HD23 LEU X 32 43.010 -7.935 0.106 1.00 0.00 H new ATOM 478 N LEU X 33 38.601 -4.902 0.970 1.00 0.00 N ATOM 479 CA LEU X 33 37.894 -4.113 1.965 1.00 0.00 C ATOM 480 C LEU X 33 36.735 -4.909 2.555 1.00 0.00 C ATOM 481 O LEU X 33 36.580 -4.982 3.766 1.00 0.00 O ATOM 482 CB LEU X 33 37.344 -2.828 1.338 1.00 0.00 C ATOM 483 CG LEU X 33 38.378 -1.860 0.759 1.00 0.00 C ATOM 484 CD1 LEU X 33 37.690 -0.776 -0.054 1.00 0.00 C ATOM 485 CD2 LEU X 33 39.195 -1.228 1.868 1.00 0.00 C ATOM 0 H LEU X 33 38.575 -4.513 0.028 1.00 0.00 H new ATOM 0 HA LEU X 33 38.601 -3.860 2.755 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.651 -3.104 0.543 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.766 -2.298 2.095 1.00 0.00 H new ATOM 0 HG LEU X 33 39.046 -2.424 0.107 1.00 0.00 H new ATOM 0 HD11 LEU X 33 38.438 -0.095 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU X 33 37.134 -1.233 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU X 33 37.004 -0.221 0.586 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.925 -0.543 1.437 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.534 -0.679 2.539 1.00 0.00 H new ATOM 0 HD23 LEU X 33 39.714 -2.007 2.427 1.00 0.00 H new ATOM 497 N GLN X 34 35.886 -5.412 1.663 1.00 0.00 N ATOM 498 CA GLN X 34 34.647 -6.118 2.012 1.00 0.00 C ATOM 499 C GLN X 34 34.778 -7.041 3.221 1.00 0.00 C ATOM 500 O GLN X 34 33.980 -6.954 4.157 1.00 0.00 O ATOM 501 CB GLN X 34 34.193 -6.923 0.798 1.00 0.00 C ATOM 502 CG GLN X 34 32.887 -7.691 0.982 1.00 0.00 C ATOM 503 CD GLN X 34 31.658 -6.801 1.052 1.00 0.00 C ATOM 504 OE1 GLN X 34 31.847 -5.499 0.908 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 30.543 -7.285 1.238 1.00 0.00 N flip ATOM 0 H GLN X 34 36.039 -5.341 0.657 1.00 0.00 H new ATOM 0 HA GLN X 34 33.913 -5.362 2.292 1.00 0.00 H new ATOM 0 HB2 GLN X 34 34.081 -6.244 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN X 34 34.979 -7.631 0.536 1.00 0.00 H new ATOM 0 HG2 GLN X 34 32.769 -8.393 0.156 1.00 0.00 H new ATOM 0 HG3 GLN X 34 32.949 -8.282 1.896 1.00 0.00 H new ATOM 0 HE21 GLN X 34 30.436 -8.294 1.345 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.725 -6.678 1.286 1.00 0.00 H new ATOM 514 N THR X 35 35.709 -7.983 3.158 1.00 0.00 N ATOM 515 CA THR X 35 35.847 -8.988 4.208 1.00 0.00 C ATOM 516 C THR X 35 36.281 -8.369 5.539 1.00 0.00 C ATOM 517 O THR X 35 36.198 -9.012 6.586 1.00 0.00 O ATOM 518 CB THR X 35 36.850 -10.057 3.766 1.00 0.00 C ATOM 519 OG1 THR X 35 38.064 -9.457 3.348 1.00 0.00 O ATOM 520 CG2 THR X 35 36.346 -10.913 2.624 1.00 0.00 C ATOM 0 H THR X 35 36.379 -8.074 2.394 1.00 0.00 H new ATOM 0 HA THR X 35 34.870 -9.445 4.368 1.00 0.00 H new ATOM 0 HB THR X 35 37.001 -10.694 4.638 1.00 0.00 H new ATOM 0 HG1 THR X 35 38.695 -10.154 3.070 1.00 0.00 H new ATOM 0 HG21 THR X 35 37.104 -11.650 2.360 1.00 0.00 H new ATOM 0 HG22 THR X 35 35.433 -11.425 2.928 1.00 0.00 H new ATOM 0 HG23 THR X 35 36.137 -10.281 1.761 1.00 0.00 H new ATOM 528 N LYS X 36 36.798 -7.149 5.485 1.00 0.00 N ATOM 529 CA LYS X 36 37.315 -6.483 6.671 1.00 0.00 C ATOM 530 C LYS X 36 36.493 -5.249 7.044 1.00 0.00 C ATOM 531 O LYS X 36 37.042 -4.302 7.607 1.00 0.00 O ATOM 532 CB LYS X 36 38.763 -6.059 6.427 1.00 0.00 C ATOM 533 CG LYS X 36 39.651 -7.177 5.917 1.00 0.00 C ATOM 534 CD LYS X 36 40.978 -6.634 5.423 1.00 0.00 C ATOM 535 CE LYS X 36 41.891 -7.743 4.935 1.00 0.00 C ATOM 536 NZ LYS X 36 42.191 -8.731 6.004 1.00 0.00 N ATOM 0 H LYS X 36 36.870 -6.599 4.629 1.00 0.00 H new ATOM 0 HA LYS X 36 37.253 -7.192 7.497 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.776 -5.241 5.707 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.180 -5.672 7.357 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.824 -7.901 6.713 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.147 -7.707 5.109 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.803 -5.925 4.614 1.00 0.00 H new ATOM 0 HD3 LYS X 36 41.469 -6.086 6.227 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.424 -8.252 4.092 1.00 0.00 H new ATOM 0 HE3 LYS X 36 42.823 -7.311 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 43.001 -9.317 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 42.421 -8.230 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 41.361 -9.339 6.158 1.00 0.00 H new ATOM 550 N ASN X 37 35.187 -5.255 6.741 1.00 0.00 N ATOM 551 CA ASN X 37 34.315 -4.114 7.074 1.00 0.00 C ATOM 552 C ASN X 37 34.731 -2.869 6.266 1.00 0.00 C ATOM 553 O ASN X 37 34.642 -1.738 6.739 1.00 0.00 O ATOM 554 CB ASN X 37 34.383 -3.856 8.597 1.00 0.00 C ATOM 555 CG ASN X 37 33.602 -2.643 9.065 1.00 0.00 C ATOM 556 OD1 ASN X 37 32.372 -2.618 9.012 1.00 0.00 O ATOM 557 ND2 ASN X 37 34.326 -1.625 9.520 1.00 0.00 N ATOM 0 H ASN X 37 34.713 -6.027 6.271 1.00 0.00 H new ATOM 0 HA ASN X 37 33.283 -4.343 6.806 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.009 -4.737 9.119 1.00 0.00 H new ATOM 0 HB3 ASN X 37 35.427 -3.734 8.886 1.00 0.00 H new ATOM 0 HD21 ASN X 37 33.864 -0.776 9.845 1.00 0.00 H new ATOM 0 HD22 ASN X 37 35.343 -1.693 9.544 1.00 0.00 H new ATOM 564 N TYR X 38 35.307 -3.104 5.086 1.00 0.00 N ATOM 565 CA TYR X 38 35.888 -2.034 4.269 1.00 0.00 C ATOM 566 C TYR X 38 37.010 -1.356 5.042 1.00 0.00 C ATOM 567 O TYR X 38 36.853 -0.234 5.523 1.00 0.00 O ATOM 568 CB TYR X 38 34.836 -0.999 3.847 1.00 0.00 C ATOM 569 CG TYR X 38 33.836 -1.486 2.814 1.00 0.00 C ATOM 570 CD1 TYR X 38 34.239 -1.880 1.545 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.482 -1.533 3.108 1.00 0.00 C ATOM 572 CE1 TYR X 38 33.322 -2.308 0.604 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.561 -1.960 2.175 1.00 0.00 C ATOM 574 CZ TYR X 38 31.985 -2.344 0.924 1.00 0.00 C ATOM 575 OH TYR X 38 31.069 -2.767 -0.007 1.00 0.00 O ATOM 0 H TYR X 38 35.384 -4.033 4.671 1.00 0.00 H new ATOM 0 HA TYR X 38 36.285 -2.483 3.359 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.291 -0.675 4.734 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.349 -0.123 3.450 1.00 0.00 H new ATOM 0 HD1 TYR X 38 35.288 -1.851 1.289 1.00 0.00 H new ATOM 0 HD2 TYR X 38 32.142 -1.229 4.087 1.00 0.00 H new ATOM 0 HE1 TYR X 38 33.654 -2.613 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.511 -1.993 2.425 1.00 0.00 H new ATOM 0 HH TYR X 38 31.032 -3.746 -0.008 1.00 0.00 H new ATOM 585 N ASP X 39 38.098 -2.087 5.255 1.00 0.00 N ATOM 586 CA ASP X 39 39.192 -1.593 6.087 1.00 0.00 C ATOM 587 C ASP X 39 40.363 -1.125 5.247 1.00 0.00 C ATOM 588 O ASP X 39 40.842 -1.854 4.381 1.00 0.00 O ATOM 589 CB ASP X 39 39.662 -2.676 7.053 1.00 0.00 C ATOM 590 CG ASP X 39 40.781 -2.202 7.938 1.00 0.00 C ATOM 591 OD1 ASP X 39 40.604 -1.169 8.611 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.838 -2.858 7.958 1.00 0.00 O ATOM 0 H ASP X 39 38.247 -3.018 4.866 1.00 0.00 H new ATOM 0 HA ASP X 39 38.810 -0.742 6.652 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.824 -2.998 7.671 1.00 0.00 H new ATOM 0 HB3 ASP X 39 39.993 -3.547 6.487 1.00 0.00 H new ATOM 597 N ILE X 40 40.881 0.053 5.570 1.00 0.00 N ATOM 598 CA ILE X 40 42.061 0.564 4.896 1.00 0.00 C ATOM 599 C ILE X 40 43.329 0.134 5.611 1.00 0.00 C ATOM 600 O ILE X 40 44.431 0.393 5.140 1.00 0.00 O ATOM 601 CB ILE X 40 42.058 2.102 4.749 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.872 2.809 6.101 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.985 2.530 3.765 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.426 3.017 6.510 1.00 0.00 C ATOM 0 H ILE X 40 40.503 0.668 6.291 1.00 0.00 H new ATOM 0 HA ILE X 40 42.036 0.135 3.894 1.00 0.00 H new ATOM 0 HB ILE X 40 43.033 2.401 4.364 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.374 2.226 6.873 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.368 3.779 6.060 1.00 0.00 H new ATOM 0 HG21 ILE X 40 40.992 3.616 3.669 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.182 2.078 2.793 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.010 2.204 4.126 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.390 3.522 7.475 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.920 3.628 5.762 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.927 2.051 6.587 1.00 0.00 H new ATOM 616 N GLY X 41 43.170 -0.540 6.738 1.00 0.00 N ATOM 617 CA GLY X 41 44.320 -1.005 7.478 1.00 0.00 C ATOM 618 C GLY X 41 45.140 -1.989 6.680 1.00 0.00 C ATOM 619 O GLY X 41 46.370 -1.902 6.621 1.00 0.00 O ATOM 0 H GLY X 41 42.267 -0.772 7.152 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.942 -0.154 7.755 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.990 -1.474 8.405 1.00 0.00 H new ATOM 623 N ALA X 42 44.439 -2.867 5.991 1.00 0.00 N ATOM 624 CA ALA X 42 45.070 -3.820 5.094 1.00 0.00 C ATOM 625 C ALA X 42 44.963 -3.362 3.650 1.00 0.00 C ATOM 626 O ALA X 42 45.672 -3.866 2.781 1.00 0.00 O ATOM 627 CB ALA X 42 44.459 -5.199 5.265 1.00 0.00 C ATOM 0 H ALA X 42 43.423 -2.942 6.035 1.00 0.00 H new ATOM 0 HA ALA X 42 46.128 -3.877 5.351 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.944 -5.899 4.585 1.00 0.00 H new ATOM 0 HB2 ALA X 42 44.600 -5.535 6.292 1.00 0.00 H new ATOM 0 HB3 ALA X 42 43.393 -5.155 5.041 1.00 0.00 H new ATOM 633 N ALA X 43 44.092 -2.394 3.401 1.00 0.00 N ATOM 634 CA ALA X 43 43.930 -1.857 2.057 1.00 0.00 C ATOM 635 C ALA X 43 45.129 -1.008 1.673 1.00 0.00 C ATOM 636 O ALA X 43 45.601 -1.080 0.543 1.00 0.00 O ATOM 637 CB ALA X 43 42.657 -1.039 1.943 1.00 0.00 C ATOM 0 H ALA X 43 43.491 -1.967 4.106 1.00 0.00 H new ATOM 0 HA ALA X 43 43.858 -2.700 1.370 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.563 -0.651 0.929 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.798 -1.670 2.171 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.694 -0.208 2.647 1.00 0.00 H new ATOM 643 N LEU X 44 45.616 -0.207 2.628 1.00 0.00 N ATOM 644 CA LEU X 44 46.771 0.663 2.400 1.00 0.00 C ATOM 645 C LEU X 44 47.974 -0.134 1.926 1.00 0.00 C ATOM 646 O LEU X 44 48.751 0.342 1.102 1.00 0.00 O ATOM 647 CB LEU X 44 47.129 1.449 3.669 1.00 0.00 C ATOM 648 CG LEU X 44 46.588 2.883 3.728 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.078 2.904 3.563 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.993 3.553 5.034 1.00 0.00 C ATOM 0 H LEU X 44 45.225 -0.145 3.568 1.00 0.00 H new ATOM 0 HA LEU X 44 46.496 1.371 1.618 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.754 0.901 4.533 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.215 1.484 3.760 1.00 0.00 H new ATOM 0 HG LEU X 44 47.025 3.443 2.901 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.721 3.933 3.609 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.811 2.470 2.599 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.617 2.324 4.362 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.601 4.570 5.058 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.589 2.988 5.874 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.080 3.582 5.106 1.00 0.00 H new ATOM 662 N ASP X 45 48.069 -1.376 2.396 1.00 0.00 N ATOM 663 CA ASP X 45 49.123 -2.293 1.970 1.00 0.00 C ATOM 664 C ASP X 45 49.194 -2.380 0.440 1.00 0.00 C ATOM 665 O ASP X 45 50.274 -2.350 -0.146 1.00 0.00 O ATOM 666 CB ASP X 45 48.853 -3.680 2.570 1.00 0.00 C ATOM 667 CG ASP X 45 49.940 -4.698 2.292 1.00 0.00 C ATOM 668 OD1 ASP X 45 51.007 -4.328 1.766 1.00 0.00 O ATOM 669 OD2 ASP X 45 49.729 -5.878 2.623 1.00 0.00 O ATOM 0 H ASP X 45 47.422 -1.773 3.078 1.00 0.00 H new ATOM 0 HA ASP X 45 50.083 -1.918 2.325 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.732 -3.580 3.649 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.909 -4.056 2.177 1.00 0.00 H new ATOM 674 N THR X 46 48.049 -2.571 -0.196 1.00 0.00 N ATOM 675 CA THR X 46 48.008 -2.767 -1.639 1.00 0.00 C ATOM 676 C THR X 46 47.713 -1.476 -2.429 1.00 0.00 C ATOM 677 O THR X 46 48.046 -1.393 -3.612 1.00 0.00 O ATOM 678 CB THR X 46 46.992 -3.856 -1.970 1.00 0.00 C ATOM 679 OG1 THR X 46 45.784 -3.641 -1.267 1.00 0.00 O ATOM 680 CG2 THR X 46 47.466 -5.249 -1.624 1.00 0.00 C ATOM 0 H THR X 46 47.138 -2.595 0.261 1.00 0.00 H new ATOM 0 HA THR X 46 49.005 -3.077 -1.953 1.00 0.00 H new ATOM 0 HB THR X 46 46.849 -3.792 -3.049 1.00 0.00 H new ATOM 0 HG1 THR X 46 45.037 -3.615 -1.901 1.00 0.00 H new ATOM 0 HG21 THR X 46 46.693 -5.972 -1.886 1.00 0.00 H new ATOM 0 HG22 THR X 46 48.376 -5.472 -2.181 1.00 0.00 H new ATOM 0 HG23 THR X 46 47.671 -5.309 -0.555 1.00 0.00 H new ATOM 688 N ILE X 47 47.136 -0.453 -1.790 1.00 0.00 N ATOM 689 CA ILE X 47 46.879 0.818 -2.486 1.00 0.00 C ATOM 690 C ILE X 47 48.114 1.730 -2.494 1.00 0.00 C ATOM 691 O ILE X 47 47.990 2.948 -2.361 1.00 0.00 O ATOM 692 CB ILE X 47 45.647 1.603 -1.963 1.00 0.00 C ATOM 693 CG1 ILE X 47 45.654 1.714 -0.444 1.00 0.00 C ATOM 694 CG2 ILE X 47 44.345 0.973 -2.450 1.00 0.00 C ATOM 695 CD1 ILE X 47 44.418 2.383 0.117 1.00 0.00 C ATOM 0 H ILE X 47 46.842 -0.474 -0.813 1.00 0.00 H new ATOM 0 HA ILE X 47 46.644 0.518 -3.507 1.00 0.00 H new ATOM 0 HB ILE X 47 45.712 2.612 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE X 47 45.744 0.716 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE X 47 46.535 2.276 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE X 47 43.499 1.544 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE X 47 44.324 0.978 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.281 -0.054 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE X 47 44.490 2.428 1.204 1.00 0.00 H new ATOM 0 HD12 ILE X 47 44.338 3.393 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE X 47 43.535 1.810 -0.164 1.00 0.00 H new ATOM 707 N GLN X 48 49.275 1.122 -2.772 1.00 0.00 N ATOM 708 CA GLN X 48 50.556 1.826 -2.974 1.00 0.00 C ATOM 709 C GLN X 48 51.256 2.174 -1.661 1.00 0.00 C ATOM 710 O GLN X 48 52.014 3.143 -1.601 1.00 0.00 O ATOM 711 CB GLN X 48 50.393 3.095 -3.830 1.00 0.00 C ATOM 712 CG GLN X 48 49.823 2.848 -5.220 1.00 0.00 C ATOM 713 CD GLN X 48 48.393 3.336 -5.352 1.00 0.00 C ATOM 714 OE1 GLN X 48 48.125 4.533 -5.288 1.00 0.00 O ATOM 715 NE2 GLN X 48 47.462 2.413 -5.525 1.00 0.00 N ATOM 0 H GLN X 48 49.356 0.109 -2.865 1.00 0.00 H new ATOM 0 HA GLN X 48 51.189 1.121 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN X 48 49.743 3.793 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN X 48 51.365 3.578 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN X 48 50.446 3.351 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN X 48 49.862 1.782 -5.442 1.00 0.00 H new ATOM 0 HE21 GLN X 48 47.723 1.428 -5.573 1.00 0.00 H new ATOM 0 HE22 GLN X 48 46.483 2.686 -5.610 1.00 0.00 H new ATOM 724 N TYR X 49 51.114 1.315 -0.659 1.00 0.00 N ATOM 725 CA TYR X 49 51.854 1.472 0.592 1.00 0.00 C ATOM 726 C TYR X 49 52.202 0.117 1.186 1.00 0.00 C ATOM 727 O TYR X 49 51.894 -0.171 2.343 1.00 0.00 O ATOM 728 CB TYR X 49 51.057 2.308 1.598 1.00 0.00 C ATOM 729 CG TYR X 49 51.296 3.792 1.458 1.00 0.00 C ATOM 730 CD1 TYR X 49 52.459 4.375 1.947 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.375 4.606 0.815 1.00 0.00 C ATOM 732 CE1 TYR X 49 52.693 5.726 1.801 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.602 5.958 0.666 1.00 0.00 C ATOM 734 CZ TYR X 49 51.762 6.513 1.159 1.00 0.00 C ATOM 735 OH TYR X 49 51.992 7.860 1.009 1.00 0.00 O ATOM 0 H TYR X 49 50.496 0.504 -0.686 1.00 0.00 H new ATOM 0 HA TYR X 49 52.782 1.999 0.369 1.00 0.00 H new ATOM 0 HB2 TYR X 49 49.994 2.104 1.469 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.321 1.998 2.609 1.00 0.00 H new ATOM 0 HD1 TYR X 49 53.191 3.760 2.449 1.00 0.00 H new ATOM 0 HD2 TYR X 49 49.465 4.174 0.425 1.00 0.00 H new ATOM 0 HE1 TYR X 49 53.601 6.165 2.188 1.00 0.00 H new ATOM 0 HE2 TYR X 49 49.874 6.579 0.165 1.00 0.00 H new ATOM 0 HH TYR X 49 51.239 8.270 0.534 1.00 0.00 H new ATOM 745 N SER X 50 52.871 -0.708 0.393 1.00 0.00 N ATOM 746 CA SER X 50 53.285 -2.028 0.841 1.00 0.00 C ATOM 747 C SER X 50 54.689 -1.965 1.434 1.00 0.00 C ATOM 748 O SER X 50 55.582 -2.716 1.036 1.00 0.00 O ATOM 749 CB SER X 50 53.248 -3.018 -0.326 1.00 0.00 C ATOM 750 OG SER X 50 53.163 -4.354 0.147 1.00 0.00 O ATOM 0 H SER X 50 53.139 -0.485 -0.566 1.00 0.00 H new ATOM 0 HA SER X 50 52.594 -2.370 1.611 1.00 0.00 H new ATOM 0 HB2 SER X 50 52.394 -2.800 -0.967 1.00 0.00 H new ATOM 0 HB3 SER X 50 54.143 -2.900 -0.937 1.00 0.00 H new ATOM 0 HG SER X 50 52.538 -4.395 0.901 1.00 0.00 H new ATOM 756 N LYS X 51 54.875 -1.080 2.398 1.00 0.00 N ATOM 757 CA LYS X 51 56.159 -0.931 3.059 1.00 0.00 C ATOM 758 C LYS X 51 55.931 -0.797 4.555 1.00 0.00 C ATOM 759 O LYS X 51 55.199 0.089 4.999 1.00 0.00 O ATOM 760 CB LYS X 51 56.904 0.302 2.513 1.00 0.00 C ATOM 761 CG LYS X 51 58.419 0.270 2.708 1.00 0.00 C ATOM 762 CD LYS X 51 58.812 0.386 4.172 1.00 0.00 C ATOM 763 CE LYS X 51 60.304 0.181 4.372 1.00 0.00 C ATOM 764 NZ LYS X 51 60.658 0.109 5.812 1.00 0.00 N ATOM 0 H LYS X 51 54.149 -0.451 2.741 1.00 0.00 H new ATOM 0 HA LYS X 51 56.775 -1.809 2.863 1.00 0.00 H new ATOM 0 HB2 LYS X 51 56.690 0.397 1.448 1.00 0.00 H new ATOM 0 HB3 LYS X 51 56.507 1.194 2.998 1.00 0.00 H new ATOM 0 HG2 LYS X 51 58.817 -0.659 2.299 1.00 0.00 H new ATOM 0 HG3 LYS X 51 58.873 1.086 2.146 1.00 0.00 H new ATOM 0 HD2 LYS X 51 58.526 1.368 4.549 1.00 0.00 H new ATOM 0 HD3 LYS X 51 58.262 -0.352 4.756 1.00 0.00 H new ATOM 0 HE2 LYS X 51 60.616 -0.737 3.874 1.00 0.00 H new ATOM 0 HE3 LYS X 51 60.850 0.999 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 61.604 -0.310 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 60.657 1.066 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 59.962 -0.480 6.312 1.00 0.00 H new ATOM 778 N HIS X 52 56.556 -1.672 5.326 1.00 0.00 N ATOM 779 CA HIS X 52 56.418 -1.636 6.772 1.00 0.00 C ATOM 780 C HIS X 52 57.721 -1.180 7.417 1.00 0.00 C ATOM 781 O HIS X 52 58.796 -1.591 6.938 1.00 0.00 O ATOM 782 CB HIS X 52 56.009 -3.010 7.321 1.00 0.00 C ATOM 783 CG HIS X 52 54.598 -3.405 6.994 1.00 0.00 C ATOM 784 ND1 HIS X 52 54.057 -4.632 7.303 1.00 0.00 N ATOM 785 CD2 HIS X 52 53.606 -2.702 6.386 1.00 0.00 C ATOM 786 CE1 HIS X 52 52.785 -4.642 6.882 1.00 0.00 C ATOM 787 NE2 HIS X 52 52.460 -3.492 6.320 1.00 0.00 N ATOM 788 OXT HIS X 52 57.659 -0.400 8.382 1.00 0.00 O ATOM 0 H HIS X 52 57.162 -2.414 4.976 1.00 0.00 H new ATOM 0 HA HIS X 52 55.632 -0.922 7.018 1.00 0.00 H new ATOM 0 HB2 HIS X 52 56.688 -3.765 6.924 1.00 0.00 H new ATOM 0 HB3 HIS X 52 56.133 -3.008 8.404 1.00 0.00 H new ATOM 0 HD2 HIS X 52 53.692 -1.692 6.013 1.00 0.00 H new ATOM 0 HE1 HIS X 52 52.113 -5.481 6.988 1.00 0.00 H new ATOM 0 HE2 HIS X 52 51.557 -3.235 5.920 1.00 0.00 H new TER 796 HIS X 52