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 Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0536) USER MOD Single : A 2 SER OG : rot 180:sc= -0.117 USER MOD Single : A 13 SER OG : rot 0:sc= -1.49! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.7 K(o=-4.7,f=-12!) USER MOD Single : A 17 MET CE :methyl -146:sc= -13.2! (180deg=-13.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -163:sc= 0 (180deg=-0.317) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0.501 F(o=-0.3,f=0.5) USER MOD Single : A 35 THR OG1 : rot -162:sc= -5.93! USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0635) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.691! F(o=-1.4,f=-0.69!) USER MOD Single : A 38 TYR OH : rot 120:sc= -1.36! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.857 F(o=-2.1,f=-0.86) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc=-0.00936 X(o=-0.0094,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.339 22.243 4.940 1.00 0.00 N ATOM 2 CA GLY A 1 13.936 22.689 4.706 1.00 0.00 C ATOM 3 C GLY A 1 13.031 21.466 4.552 1.00 0.00 C ATOM 4 O GLY A 1 11.930 21.429 5.064 1.00 0.00 O ATOM 0 H1 GLY A 1 15.929 23.065 5.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.360 21.562 5.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.708 21.791 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.595 23.304 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.884 23.308 3.810 1.00 0.00 H new ATOM 10 N SER A 2 13.485 20.464 3.850 1.00 0.00 N ATOM 11 CA SER A 2 12.648 19.244 3.664 1.00 0.00 C ATOM 12 C SER A 2 13.527 17.989 3.711 1.00 0.00 C ATOM 13 O SER A 2 14.594 17.957 3.131 1.00 0.00 O ATOM 14 CB SER A 2 12.014 19.405 2.283 1.00 0.00 C ATOM 15 OG SER A 2 11.430 20.697 2.184 1.00 0.00 O ATOM 0 H SER A 2 14.399 20.437 3.397 1.00 0.00 H new ATOM 0 HA SER A 2 11.896 19.135 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.767 19.273 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.256 18.637 2.126 1.00 0.00 H new ATOM 0 HG SER A 2 11.023 20.805 1.299 1.00 0.00 H new ATOM 21 N PRO A 3 13.044 16.997 4.406 1.00 0.00 N ATOM 22 CA PRO A 3 13.793 15.723 4.539 1.00 0.00 C ATOM 23 C PRO A 3 13.727 14.921 3.233 1.00 0.00 C ATOM 24 O PRO A 3 12.664 14.515 2.809 1.00 0.00 O ATOM 25 CB PRO A 3 13.059 14.992 5.659 1.00 0.00 C ATOM 26 CG PRO A 3 11.673 15.556 5.650 1.00 0.00 C ATOM 27 CD PRO A 3 11.768 16.967 5.129 1.00 0.00 C ATOM 0 HA PRO A 3 14.852 15.871 4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.048 13.916 5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.545 15.155 6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.018 14.956 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.247 15.544 6.653 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.932 17.206 4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.753 17.694 5.941 1.00 0.00 H new ATOM 35 N PRO A 4 14.875 14.718 2.642 1.00 0.00 N ATOM 36 CA PRO A 4 14.959 13.956 1.379 1.00 0.00 C ATOM 37 C PRO A 4 15.019 12.450 1.663 1.00 0.00 C ATOM 38 O PRO A 4 15.691 11.708 0.977 1.00 0.00 O ATOM 39 CB PRO A 4 16.269 14.439 0.766 1.00 0.00 C ATOM 40 CG PRO A 4 17.106 14.910 1.920 1.00 0.00 C ATOM 41 CD PRO A 4 16.188 15.180 3.090 1.00 0.00 C ATOM 0 HA PRO A 4 14.099 14.109 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.767 13.636 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 4 16.095 15.245 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.847 14.156 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.653 15.813 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.514 14.644 3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.170 16.240 3.344 1.00 0.00 H new ATOM 49 N GLU A 5 14.326 11.996 2.673 1.00 0.00 N ATOM 50 CA GLU A 5 14.350 10.542 3.000 1.00 0.00 C ATOM 51 C GLU A 5 13.763 9.715 1.856 1.00 0.00 C ATOM 52 O GLU A 5 13.848 8.503 1.847 1.00 0.00 O ATOM 53 CB GLU A 5 13.502 10.401 4.254 1.00 0.00 C ATOM 54 CG GLU A 5 14.349 9.811 5.383 1.00 0.00 C ATOM 55 CD GLU A 5 13.855 10.347 6.728 1.00 0.00 C ATOM 56 OE1 GLU A 5 12.670 10.224 6.994 1.00 0.00 O ATOM 57 OE2 GLU A 5 14.670 10.873 7.469 1.00 0.00 O ATOM 0 H GLU A 5 13.745 12.569 3.285 1.00 0.00 H new ATOM 0 HA GLU A 5 15.367 10.179 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.109 11.373 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.645 9.758 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.286 8.723 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.398 10.072 5.239 1.00 0.00 H new ATOM 64 N ALA A 6 13.173 10.357 0.889 1.00 0.00 N ATOM 65 CA ALA A 6 12.586 9.601 -0.258 1.00 0.00 C ATOM 66 C ALA A 6 11.431 8.724 0.224 1.00 0.00 C ATOM 67 O ALA A 6 11.172 7.668 -0.316 1.00 0.00 O ATOM 68 CB ALA A 6 13.722 8.729 -0.768 1.00 0.00 C ATOM 0 H ALA A 6 13.070 11.371 0.840 1.00 0.00 H new ATOM 0 HA ALA A 6 12.190 10.262 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.375 8.138 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.553 9.361 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.055 8.062 0.028 1.00 0.00 H new ATOM 74 N ASP A 7 10.756 9.156 1.246 1.00 0.00 N ATOM 75 CA ASP A 7 9.618 8.365 1.800 1.00 0.00 C ATOM 76 C ASP A 7 9.963 6.876 1.792 1.00 0.00 C ATOM 77 O ASP A 7 9.416 6.111 1.022 1.00 0.00 O ATOM 78 CB ASP A 7 8.426 8.660 0.882 1.00 0.00 C ATOM 79 CG ASP A 7 8.660 8.052 -0.501 1.00 0.00 C ATOM 80 OD1 ASP A 7 9.328 8.688 -1.300 1.00 0.00 O ATOM 81 OD2 ASP A 7 8.165 6.963 -0.741 1.00 0.00 O ATOM 0 H ASP A 7 10.943 10.034 1.730 1.00 0.00 H new ATOM 0 HA ASP A 7 9.395 8.632 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.513 8.252 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.283 9.737 0.794 1.00 0.00 H new ATOM 86 N PRO A 8 10.871 6.520 2.656 1.00 0.00 N ATOM 87 CA PRO A 8 11.316 5.113 2.760 1.00 0.00 C ATOM 88 C PRO A 8 10.232 4.254 3.416 1.00 0.00 C ATOM 89 O PRO A 8 10.306 3.041 3.416 1.00 0.00 O ATOM 90 CB PRO A 8 12.558 5.192 3.643 1.00 0.00 C ATOM 91 CG PRO A 8 12.385 6.443 4.444 1.00 0.00 C ATOM 92 CD PRO A 8 11.565 7.393 3.609 1.00 0.00 C ATOM 0 HA PRO A 8 11.518 4.656 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.639 4.318 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.467 5.230 3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.884 6.230 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.353 6.881 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.860 7.956 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.195 8.121 3.098 1.00 0.00 H new ATOM 100 N ARG A 9 9.223 4.869 3.973 1.00 0.00 N ATOM 101 CA ARG A 9 8.148 4.082 4.619 1.00 0.00 C ATOM 102 C ARG A 9 7.161 3.595 3.566 1.00 0.00 C ATOM 103 O ARG A 9 6.362 2.711 3.807 1.00 0.00 O ATOM 104 CB ARG A 9 7.483 5.051 5.595 1.00 0.00 C ATOM 105 CG ARG A 9 7.130 6.358 4.879 1.00 0.00 C ATOM 106 CD ARG A 9 5.880 6.968 5.517 1.00 0.00 C ATOM 107 NE ARG A 9 5.911 8.406 5.123 1.00 0.00 N ATOM 108 CZ ARG A 9 4.983 9.219 5.551 1.00 0.00 C ATOM 109 NH1 ARG A 9 4.384 8.987 6.687 1.00 0.00 N ATOM 110 NH2 ARG A 9 4.655 10.265 4.842 1.00 0.00 N ATOM 0 H ARG A 9 9.102 5.881 4.006 1.00 0.00 H new ATOM 0 HA ARG A 9 8.522 3.196 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.582 4.600 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.152 5.254 6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.963 7.058 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.955 6.169 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.974 6.479 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.894 6.855 6.601 1.00 0.00 H new ATOM 0 HE ARG A 9 6.656 8.754 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.641 8.170 7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.659 9.623 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.123 10.447 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.930 10.900 5.176 1.00 0.00 H new ATOM 124 N LEU A 10 7.222 4.149 2.391 1.00 0.00 N ATOM 125 CA LEU A 10 6.298 3.696 1.316 1.00 0.00 C ATOM 126 C LEU A 10 6.899 2.459 0.659 1.00 0.00 C ATOM 127 O LEU A 10 6.197 1.567 0.226 1.00 0.00 O ATOM 128 CB LEU A 10 6.202 4.858 0.323 1.00 0.00 C ATOM 129 CG LEU A 10 5.686 4.343 -1.021 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.830 5.421 -1.687 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.871 4.002 -1.928 1.00 0.00 C ATOM 0 H LEU A 10 7.868 4.893 2.128 1.00 0.00 H new ATOM 0 HA LEU A 10 5.307 3.434 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.533 5.626 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.180 5.322 0.195 1.00 0.00 H new ATOM 0 HG LEU A 10 5.084 3.449 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.462 5.053 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.985 5.664 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.432 6.315 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.502 3.635 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.474 4.895 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.481 3.233 -1.455 1.00 0.00 H new ATOM 143 N ILE A 11 8.202 2.390 0.610 1.00 0.00 N ATOM 144 CA ILE A 11 8.861 1.203 0.015 1.00 0.00 C ATOM 145 C ILE A 11 8.658 0.016 0.961 1.00 0.00 C ATOM 146 O ILE A 11 8.351 -1.082 0.540 1.00 0.00 O ATOM 147 CB ILE A 11 10.341 1.607 -0.117 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.643 1.931 -1.581 1.00 0.00 C ATOM 149 CG2 ILE A 11 11.262 0.474 0.347 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.425 0.682 -2.438 1.00 0.00 C ATOM 0 H ILE A 11 8.836 3.109 0.959 1.00 0.00 H new ATOM 0 HA ILE A 11 8.462 0.904 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 11 10.521 2.480 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.997 2.739 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.671 2.279 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.302 0.785 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.055 0.241 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.086 -0.411 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.640 0.914 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.089 -0.113 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.390 0.354 -2.346 1.00 0.00 H new ATOM 162 N GLU A 12 8.804 0.235 2.243 1.00 0.00 N ATOM 163 CA GLU A 12 8.590 -0.874 3.202 1.00 0.00 C ATOM 164 C GLU A 12 7.196 -1.452 2.984 1.00 0.00 C ATOM 165 O GLU A 12 7.035 -2.618 2.683 1.00 0.00 O ATOM 166 CB GLU A 12 8.704 -0.247 4.579 1.00 0.00 C ATOM 167 CG GLU A 12 9.821 -0.934 5.364 1.00 0.00 C ATOM 168 CD GLU A 12 9.342 -2.306 5.839 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.359 -3.228 5.038 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.967 -2.415 6.995 1.00 0.00 O ATOM 0 H GLU A 12 9.061 1.130 2.659 1.00 0.00 H new ATOM 0 HA GLU A 12 9.309 -1.684 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.912 0.819 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.758 -0.343 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.706 -1.043 4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.109 -0.322 6.219 1.00 0.00 H new ATOM 177 N SER A 13 6.186 -0.635 3.106 1.00 0.00 N ATOM 178 CA SER A 13 4.814 -1.119 2.879 1.00 0.00 C ATOM 179 C SER A 13 4.740 -1.725 1.479 1.00 0.00 C ATOM 180 O SER A 13 4.138 -2.760 1.268 1.00 0.00 O ATOM 181 CB SER A 13 3.954 0.139 2.997 1.00 0.00 C ATOM 182 OG SER A 13 3.790 0.468 4.371 1.00 0.00 O ATOM 0 H SER A 13 6.262 0.351 3.355 1.00 0.00 H new ATOM 0 HA SER A 13 4.487 -1.889 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.425 0.967 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.982 -0.026 2.532 1.00 0.00 H new ATOM 0 HG SER A 13 4.264 -0.188 4.923 1.00 0.00 H new ATOM 188 N LEU A 14 5.381 -1.104 0.524 1.00 0.00 N ATOM 189 CA LEU A 14 5.378 -1.664 -0.855 1.00 0.00 C ATOM 190 C LEU A 14 6.020 -3.048 -0.826 1.00 0.00 C ATOM 191 O LEU A 14 5.614 -3.950 -1.533 1.00 0.00 O ATOM 192 CB LEU A 14 6.218 -0.698 -1.690 1.00 0.00 C ATOM 193 CG LEU A 14 5.304 0.082 -2.637 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.525 -0.898 -3.518 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.321 0.923 -1.819 1.00 0.00 C ATOM 0 H LEU A 14 5.904 -0.236 0.641 1.00 0.00 H new ATOM 0 HA LEU A 14 4.374 -1.769 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.757 -0.010 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.966 -1.249 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 14 5.907 0.736 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.874 -0.342 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.224 -1.498 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.922 -1.552 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.669 1.479 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.718 0.268 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.874 1.621 -1.191 1.00 0.00 H new ATOM 207 N SER A 15 7.019 -3.225 -0.002 1.00 0.00 N ATOM 208 CA SER A 15 7.680 -4.548 0.083 1.00 0.00 C ATOM 209 C SER A 15 6.669 -5.601 0.532 1.00 0.00 C ATOM 210 O SER A 15 6.546 -6.651 -0.068 1.00 0.00 O ATOM 211 CB SER A 15 8.785 -4.380 1.125 1.00 0.00 C ATOM 212 OG SER A 15 10.044 -4.648 0.521 1.00 0.00 O ATOM 0 H SER A 15 7.402 -2.507 0.613 1.00 0.00 H new ATOM 0 HA SER A 15 8.082 -4.875 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.770 -3.367 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.618 -5.058 1.962 1.00 0.00 H new ATOM 0 HG SER A 15 10.756 -4.540 1.186 1.00 0.00 H new ATOM 218 N GLN A 16 5.935 -5.330 1.580 1.00 0.00 N ATOM 219 CA GLN A 16 4.937 -6.311 2.051 1.00 0.00 C ATOM 220 C GLN A 16 3.829 -6.457 1.007 1.00 0.00 C ATOM 221 O GLN A 16 3.125 -7.446 0.960 1.00 0.00 O ATOM 222 CB GLN A 16 4.415 -5.716 3.367 1.00 0.00 C ATOM 223 CG GLN A 16 3.200 -4.817 3.113 1.00 0.00 C ATOM 224 CD GLN A 16 1.916 -5.600 3.394 1.00 0.00 C ATOM 225 OE1 GLN A 16 0.905 -5.024 3.743 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.914 -6.898 3.256 1.00 0.00 N ATOM 0 H GLN A 16 5.990 -4.469 2.124 1.00 0.00 H new ATOM 0 HA GLN A 16 5.343 -7.311 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.142 -6.519 4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.205 -5.140 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.247 -3.935 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.205 -4.464 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.763 -7.381 2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.063 -7.429 3.441 1.00 0.00 H new ATOM 235 N MET A 17 3.684 -5.476 0.166 1.00 0.00 N ATOM 236 CA MET A 17 2.646 -5.538 -0.883 1.00 0.00 C ATOM 237 C MET A 17 3.156 -6.378 -2.054 1.00 0.00 C ATOM 238 O MET A 17 2.391 -6.960 -2.797 1.00 0.00 O ATOM 239 CB MET A 17 2.459 -4.085 -1.301 1.00 0.00 C ATOM 240 CG MET A 17 1.620 -3.349 -0.259 1.00 0.00 C ATOM 241 SD MET A 17 2.131 -1.614 -0.198 1.00 0.00 S ATOM 242 CE MET A 17 1.040 -1.012 -1.509 1.00 0.00 C ATOM 0 H MET A 17 4.249 -4.627 0.164 1.00 0.00 H new ATOM 0 HA MET A 17 1.714 -5.993 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.429 -3.600 -1.408 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.970 -4.037 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.562 -3.420 -0.511 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.746 -3.812 0.720 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.536 -0.210 -2.056 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.808 -1.828 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.117 -0.634 -1.069 1.00 0.00 H new ATOM 252 N LEU A 18 4.450 -6.445 -2.220 1.00 0.00 N ATOM 253 CA LEU A 18 5.017 -7.247 -3.339 1.00 0.00 C ATOM 254 C LEU A 18 5.172 -8.707 -2.914 1.00 0.00 C ATOM 255 O LEU A 18 5.394 -9.581 -3.728 1.00 0.00 O ATOM 256 CB LEU A 18 6.382 -6.622 -3.630 1.00 0.00 C ATOM 257 CG LEU A 18 6.898 -7.124 -4.979 1.00 0.00 C ATOM 258 CD1 LEU A 18 6.709 -6.035 -6.037 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.386 -7.463 -4.860 1.00 0.00 C ATOM 0 H LEU A 18 5.138 -5.979 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 18 4.374 -7.239 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.301 -5.535 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.087 -6.880 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 18 6.342 -8.015 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.077 -6.394 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.650 -5.790 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.265 -5.144 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.756 -7.821 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.940 -6.571 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.523 -8.239 -4.107 1.00 0.00 H new ATOM 271 N SER A 19 5.053 -8.977 -1.645 1.00 0.00 N ATOM 272 CA SER A 19 5.193 -10.384 -1.173 1.00 0.00 C ATOM 273 C SER A 19 3.833 -10.933 -0.735 1.00 0.00 C ATOM 274 O SER A 19 3.727 -11.641 0.247 1.00 0.00 O ATOM 275 CB SER A 19 6.151 -10.308 0.014 1.00 0.00 C ATOM 276 OG SER A 19 7.428 -10.791 -0.381 1.00 0.00 O ATOM 0 H SER A 19 4.866 -8.289 -0.916 1.00 0.00 H new ATOM 0 HA SER A 19 5.564 -11.048 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.231 -9.279 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.767 -10.900 0.845 1.00 0.00 H new ATOM 0 HG SER A 19 8.046 -10.742 0.378 1.00 0.00 H new ATOM 282 N MET A 20 2.787 -10.608 -1.449 1.00 0.00 N ATOM 283 CA MET A 20 1.438 -11.114 -1.054 1.00 0.00 C ATOM 284 C MET A 20 0.581 -11.470 -2.270 1.00 0.00 C ATOM 285 O MET A 20 -0.295 -12.309 -2.198 1.00 0.00 O ATOM 286 CB MET A 20 0.807 -9.972 -0.275 1.00 0.00 C ATOM 287 CG MET A 20 -0.472 -10.459 0.408 1.00 0.00 C ATOM 288 SD MET A 20 -0.090 -11.863 1.484 1.00 0.00 S ATOM 289 CE MET A 20 0.185 -10.919 3.003 1.00 0.00 C ATOM 0 H MET A 20 2.807 -10.019 -2.282 1.00 0.00 H new ATOM 0 HA MET A 20 1.516 -12.031 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.508 -9.596 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.580 -9.143 -0.946 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.915 -9.651 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.207 -10.752 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.722 -11.537 3.723 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.774 -10.030 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.775 -10.621 3.425 1.00 0.00 H new ATOM 299 N GLY A 21 0.802 -10.824 -3.372 1.00 0.00 N ATOM 300 CA GLY A 21 -0.014 -11.098 -4.574 1.00 0.00 C ATOM 301 C GLY A 21 -0.962 -9.929 -4.738 1.00 0.00 C ATOM 302 O GLY A 21 -2.127 -10.075 -5.048 1.00 0.00 O ATOM 0 H GLY A 21 1.521 -10.110 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.620 -11.208 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.567 -12.031 -4.461 1.00 0.00 H new ATOM 306 N PHE A 22 -0.456 -8.770 -4.472 1.00 0.00 N ATOM 307 CA PHE A 22 -1.280 -7.546 -4.533 1.00 0.00 C ATOM 308 C PHE A 22 -1.422 -7.000 -5.945 1.00 0.00 C ATOM 309 O PHE A 22 -0.465 -6.656 -6.609 1.00 0.00 O ATOM 310 CB PHE A 22 -0.540 -6.573 -3.630 1.00 0.00 C ATOM 311 CG PHE A 22 -0.939 -6.834 -2.195 1.00 0.00 C ATOM 312 CD1 PHE A 22 -1.638 -8.004 -1.859 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.618 -5.905 -1.203 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.016 -8.240 -0.539 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.001 -6.140 0.121 1.00 0.00 C ATOM 316 CZ PHE A 22 -1.702 -7.310 0.450 1.00 0.00 C ATOM 0 H PHE A 22 0.517 -8.615 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.307 -7.730 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.537 -6.693 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.779 -5.546 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.884 -8.723 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.075 -5.007 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.551 -9.142 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.757 -5.422 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.999 -7.490 1.473 1.00 0.00 H new ATOM 326 N SER A 23 -2.639 -6.916 -6.384 1.00 0.00 N ATOM 327 CA SER A 23 -2.944 -6.388 -7.736 1.00 0.00 C ATOM 328 C SER A 23 -2.394 -4.969 -7.897 1.00 0.00 C ATOM 329 O SER A 23 -1.306 -4.653 -7.456 1.00 0.00 O ATOM 330 CB SER A 23 -4.469 -6.358 -7.787 1.00 0.00 C ATOM 331 OG SER A 23 -4.901 -6.534 -9.130 1.00 0.00 O ATOM 0 H SER A 23 -3.459 -7.199 -5.847 1.00 0.00 H new ATOM 0 HA SER A 23 -2.500 -6.993 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.880 -7.145 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.838 -5.410 -7.396 1.00 0.00 H new ATOM 0 HG SER A 23 -5.880 -6.517 -9.164 1.00 0.00 H new ATOM 337 N ASP A 24 -3.152 -4.109 -8.523 1.00 0.00 N ATOM 338 CA ASP A 24 -2.703 -2.706 -8.717 1.00 0.00 C ATOM 339 C ASP A 24 -3.869 -1.869 -9.248 1.00 0.00 C ATOM 340 O ASP A 24 -3.680 -0.903 -9.958 1.00 0.00 O ATOM 341 CB ASP A 24 -1.581 -2.787 -9.750 1.00 0.00 C ATOM 342 CG ASP A 24 -0.819 -1.462 -9.782 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.797 -0.789 -8.765 1.00 0.00 O ATOM 344 OD2 ASP A 24 -0.269 -1.143 -10.823 1.00 0.00 O ATOM 0 H ASP A 24 -4.071 -4.324 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.362 -2.240 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.902 -3.603 -9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.994 -3.005 -10.735 1.00 0.00 H new ATOM 349 N GLU A 25 -5.077 -2.237 -8.905 1.00 0.00 N ATOM 350 CA GLU A 25 -6.260 -1.465 -9.385 1.00 0.00 C ATOM 351 C GLU A 25 -5.975 0.033 -9.285 1.00 0.00 C ATOM 352 O GLU A 25 -5.411 0.498 -8.315 1.00 0.00 O ATOM 353 CB GLU A 25 -7.400 -1.859 -8.445 1.00 0.00 C ATOM 354 CG GLU A 25 -8.525 -2.510 -9.252 1.00 0.00 C ATOM 355 CD GLU A 25 -8.459 -4.030 -9.087 1.00 0.00 C ATOM 356 OE1 GLU A 25 -8.265 -4.477 -7.967 1.00 0.00 O ATOM 357 OE2 GLU A 25 -8.602 -4.721 -10.082 1.00 0.00 O ATOM 0 H GLU A 25 -5.294 -3.039 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.503 -1.678 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.036 -2.550 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.775 -0.979 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.492 -2.139 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.433 -2.244 -10.305 1.00 0.00 H new ATOM 364 N GLY A 26 -6.347 0.792 -10.279 1.00 0.00 N ATOM 365 CA GLY A 26 -6.076 2.254 -10.226 1.00 0.00 C ATOM 366 C GLY A 26 -4.635 2.462 -9.763 1.00 0.00 C ATOM 367 O GLY A 26 -4.295 3.467 -9.170 1.00 0.00 O ATOM 0 H GLY A 26 -6.823 0.465 -11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.227 2.703 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.769 2.743 -9.541 1.00 0.00 H new ATOM 371 N GLY A 27 -3.788 1.505 -10.027 1.00 0.00 N ATOM 372 CA GLY A 27 -2.369 1.619 -9.607 1.00 0.00 C ATOM 373 C GLY A 27 -2.301 1.940 -8.114 1.00 0.00 C ATOM 374 O GLY A 27 -1.625 2.861 -7.702 1.00 0.00 O ATOM 0 H GLY A 27 -4.023 0.644 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.842 0.687 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.871 2.401 -10.181 1.00 0.00 H new ATOM 378 N TRP A 28 -3.003 1.199 -7.294 1.00 0.00 N ATOM 379 CA TRP A 28 -2.973 1.487 -5.843 1.00 0.00 C ATOM 380 C TRP A 28 -1.709 0.933 -5.196 1.00 0.00 C ATOM 381 O TRP A 28 -1.247 1.454 -4.201 1.00 0.00 O ATOM 382 CB TRP A 28 -4.235 0.837 -5.281 1.00 0.00 C ATOM 383 CG TRP A 28 -4.152 -0.652 -5.271 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.930 -1.456 -6.013 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.314 -1.523 -4.477 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.612 -2.775 -5.738 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.623 -2.864 -4.796 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.325 -1.290 -3.528 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -2.974 -3.929 -4.186 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.677 -2.341 -2.913 1.00 0.00 C ATOM 391 CH2 TRP A 28 -1.994 -3.663 -3.232 1.00 0.00 C ATOM 0 H TRP A 28 -3.590 0.413 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.954 2.557 -5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.404 1.196 -4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.095 1.146 -5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.684 -1.126 -6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.058 -3.578 -6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.061 -0.275 -3.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.225 -4.947 -4.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.915 -2.139 -2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.481 -4.477 -2.741 1.00 0.00 H new ATOM 402 N LEU A 29 -1.122 -0.093 -5.738 1.00 0.00 N ATOM 403 CA LEU A 29 0.122 -0.606 -5.113 1.00 0.00 C ATOM 404 C LEU A 29 1.059 0.579 -4.864 1.00 0.00 C ATOM 405 O LEU A 29 1.862 0.576 -3.951 1.00 0.00 O ATOM 406 CB LEU A 29 0.708 -1.593 -6.126 1.00 0.00 C ATOM 407 CG LEU A 29 0.595 -3.013 -5.564 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.378 -3.989 -6.439 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.175 -3.046 -4.155 1.00 0.00 C ATOM 0 H LEU A 29 -1.442 -0.590 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.041 -1.100 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.175 -1.520 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.751 -1.350 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.456 -3.302 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.290 -4.995 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.976 -3.973 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.428 -3.696 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.096 -4.056 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.223 -2.749 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.621 -2.357 -3.517 1.00 0.00 H new ATOM 421 N THR A 30 0.939 1.604 -5.667 1.00 0.00 N ATOM 422 CA THR A 30 1.792 2.815 -5.487 1.00 0.00 C ATOM 423 C THR A 30 0.995 3.950 -4.819 1.00 0.00 C ATOM 424 O THR A 30 1.506 4.672 -3.987 1.00 0.00 O ATOM 425 CB THR A 30 2.214 3.216 -6.902 1.00 0.00 C ATOM 426 OG1 THR A 30 2.712 2.074 -7.586 1.00 0.00 O ATOM 427 CG2 THR A 30 3.305 4.285 -6.828 1.00 0.00 C ATOM 0 H THR A 30 0.282 1.654 -6.445 1.00 0.00 H new ATOM 0 HA THR A 30 2.649 2.617 -4.843 1.00 0.00 H new ATOM 0 HB THR A 30 1.354 3.616 -7.439 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.981 2.328 -8.493 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.605 4.570 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.922 5.160 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.167 3.888 -6.292 1.00 0.00 H new ATOM 435 N ARG A 31 -0.250 4.124 -5.196 1.00 0.00 N ATOM 436 CA ARG A 31 -1.076 5.228 -4.602 1.00 0.00 C ATOM 437 C ARG A 31 -1.863 4.737 -3.383 1.00 0.00 C ATOM 438 O ARG A 31 -2.092 5.489 -2.459 1.00 0.00 O ATOM 439 CB ARG A 31 -2.034 5.644 -5.719 1.00 0.00 C ATOM 440 CG ARG A 31 -3.139 6.531 -5.141 1.00 0.00 C ATOM 441 CD ARG A 31 -3.737 7.398 -6.253 1.00 0.00 C ATOM 442 NE ARG A 31 -5.200 7.124 -6.210 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.785 6.543 -7.221 1.00 0.00 C ATOM 444 NH1 ARG A 31 -5.382 5.368 -7.624 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.776 7.136 -7.829 1.00 0.00 N ATOM 0 H ARG A 31 -0.731 3.550 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.455 6.053 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.491 6.182 -6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.469 4.761 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.916 5.914 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.735 7.163 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.528 8.455 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.315 7.140 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.745 7.391 -5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.609 4.903 -7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.840 4.915 -8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.092 8.053 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.234 6.683 -8.620 1.00 0.00 H new ATOM 459 N LEU A 32 -2.275 3.490 -3.367 1.00 0.00 N ATOM 460 CA LEU A 32 -3.043 2.969 -2.189 1.00 0.00 C ATOM 461 C LEU A 32 -2.440 3.553 -0.915 1.00 0.00 C ATOM 462 O LEU A 32 -3.113 4.161 -0.105 1.00 0.00 O ATOM 463 CB LEU A 32 -2.837 1.468 -2.194 1.00 0.00 C ATOM 464 CG LEU A 32 -3.667 0.833 -1.079 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.138 0.788 -1.498 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.169 -0.592 -0.823 1.00 0.00 C ATOM 0 H LEU A 32 -2.114 2.814 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.100 3.233 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.129 1.054 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.782 1.235 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.566 1.425 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.729 0.335 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.495 1.801 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.239 0.196 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.760 -1.047 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.271 -1.182 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.121 -0.563 -0.525 1.00 0.00 H new ATOM 478 N LEU A 33 -1.148 3.397 -0.763 1.00 0.00 N ATOM 479 CA LEU A 33 -0.454 3.965 0.417 1.00 0.00 C ATOM 480 C LEU A 33 -0.747 5.453 0.457 1.00 0.00 C ATOM 481 O LEU A 33 -1.124 6.008 1.466 1.00 0.00 O ATOM 482 CB LEU A 33 1.033 3.728 0.145 1.00 0.00 C ATOM 483 CG LEU A 33 1.543 2.578 1.006 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.918 1.398 0.112 1.00 0.00 C ATOM 485 CD2 LEU A 33 2.774 3.036 1.790 1.00 0.00 C ATOM 0 H LEU A 33 -0.546 2.895 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.764 3.523 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.186 3.500 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.600 4.634 0.361 1.00 0.00 H new ATOM 0 HG LEU A 33 0.762 2.271 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.283 0.576 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.041 1.071 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.699 1.703 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.139 2.214 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.555 3.343 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.506 3.877 2.429 1.00 0.00 H new ATOM 497 N GLN A 34 -0.585 6.096 -0.657 1.00 0.00 N ATOM 498 CA GLN A 34 -0.854 7.535 -0.739 1.00 0.00 C ATOM 499 C GLN A 34 -2.330 7.799 -0.424 1.00 0.00 C ATOM 500 O GLN A 34 -2.681 8.786 0.192 1.00 0.00 O ATOM 501 CB GLN A 34 -0.529 7.870 -2.187 1.00 0.00 C ATOM 502 CG GLN A 34 0.891 7.407 -2.514 1.00 0.00 C ATOM 503 CD GLN A 34 1.389 8.133 -3.764 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.293 9.433 -3.833 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 1.871 7.511 -4.691 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.271 5.669 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.277 8.135 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.243 7.384 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.619 8.944 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.554 7.611 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.905 6.329 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.947 6.495 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.199 8.005 -5.521 1.00 0.00 H new ATOM 514 N THR A 35 -3.195 6.913 -0.843 1.00 0.00 N ATOM 515 CA THR A 35 -4.644 7.087 -0.576 1.00 0.00 C ATOM 516 C THR A 35 -4.967 6.721 0.876 1.00 0.00 C ATOM 517 O THR A 35 -5.375 7.556 1.659 1.00 0.00 O ATOM 518 CB THR A 35 -5.346 6.129 -1.540 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.390 5.262 -2.133 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.056 6.932 -2.629 1.00 0.00 C ATOM 0 H THR A 35 -2.952 6.070 -1.363 1.00 0.00 H new ATOM 0 HA THR A 35 -4.966 8.118 -0.721 1.00 0.00 H new ATOM 0 HB THR A 35 -6.078 5.535 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.772 4.856 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.556 6.250 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.793 7.592 -2.172 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.326 7.528 -3.177 1.00 0.00 H new ATOM 528 N LYS A 36 -4.783 5.481 1.243 1.00 0.00 N ATOM 529 CA LYS A 36 -5.073 5.065 2.646 1.00 0.00 C ATOM 530 C LYS A 36 -3.920 5.479 3.566 1.00 0.00 C ATOM 531 O LYS A 36 -3.906 5.169 4.740 1.00 0.00 O ATOM 532 CB LYS A 36 -5.200 3.542 2.593 1.00 0.00 C ATOM 533 CG LYS A 36 -6.266 3.154 1.566 1.00 0.00 C ATOM 534 CD LYS A 36 -6.986 1.889 2.034 1.00 0.00 C ATOM 535 CE LYS A 36 -8.497 2.128 2.026 1.00 0.00 C ATOM 536 NZ LYS A 36 -8.758 2.969 3.228 1.00 0.00 N ATOM 0 H LYS A 36 -4.444 4.738 0.632 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.976 5.532 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.242 3.096 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.469 3.154 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.981 3.968 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.805 2.984 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.736 1.053 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.655 1.620 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.812 2.634 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.046 1.188 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.677 2.710 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.007 2.813 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.772 3.972 2.954 1.00 0.00 H new ATOM 550 N ASN A 37 -2.959 6.185 3.034 1.00 0.00 N ATOM 551 CA ASN A 37 -1.800 6.641 3.850 1.00 0.00 C ATOM 552 C ASN A 37 -1.013 5.455 4.421 1.00 0.00 C ATOM 553 O ASN A 37 -1.032 5.200 5.610 1.00 0.00 O ATOM 554 CB ASN A 37 -2.417 7.481 4.964 1.00 0.00 C ATOM 555 CG ASN A 37 -1.313 7.996 5.889 1.00 0.00 C ATOM 556 OD1 ASN A 37 -0.839 9.199 5.710 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 -0.878 7.298 6.783 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.929 6.468 2.055 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.083 7.208 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.969 8.319 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.131 6.884 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.249 6.358 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.142 7.652 7.394 1.00 0.00 H new ATOM 564 N TYR A 38 -0.285 4.754 3.588 1.00 0.00 N ATOM 565 CA TYR A 38 0.539 3.624 4.083 1.00 0.00 C ATOM 566 C TYR A 38 -0.306 2.726 4.980 1.00 0.00 C ATOM 567 O TYR A 38 0.182 2.070 5.878 1.00 0.00 O ATOM 568 CB TYR A 38 1.683 4.300 4.841 1.00 0.00 C ATOM 569 CG TYR A 38 2.479 5.161 3.871 1.00 0.00 C ATOM 570 CD1 TYR A 38 1.852 6.175 3.114 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.851 4.933 3.706 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.586 6.936 2.217 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.581 5.705 2.800 1.00 0.00 C ATOM 574 CZ TYR A 38 3.950 6.704 2.053 1.00 0.00 C ATOM 575 OH TYR A 38 4.677 7.464 1.160 1.00 0.00 O ATOM 0 H TYR A 38 -0.230 4.921 2.583 1.00 0.00 H new ATOM 0 HA TYR A 38 0.920 2.977 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.288 4.913 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.329 3.549 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.795 6.359 3.234 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.344 4.161 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.099 7.711 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.639 5.529 2.676 1.00 0.00 H new ATOM 0 HH TYR A 38 5.390 7.937 1.638 1.00 0.00 H new ATOM 585 N ASP A 39 -1.580 2.697 4.716 1.00 0.00 N ATOM 586 CA ASP A 39 -2.508 1.845 5.514 1.00 0.00 C ATOM 587 C ASP A 39 -2.559 0.432 4.932 1.00 0.00 C ATOM 588 O ASP A 39 -3.478 -0.317 5.197 1.00 0.00 O ATOM 589 CB ASP A 39 -3.869 2.517 5.367 1.00 0.00 C ATOM 590 CG ASP A 39 -4.146 3.392 6.592 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.300 4.209 6.915 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.199 3.229 7.186 1.00 0.00 O ATOM 0 H ASP A 39 -2.026 3.234 3.972 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.196 1.755 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.890 3.124 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.649 1.763 5.263 1.00 0.00 H new ATOM 597 N ILE A 40 -1.593 0.053 4.135 1.00 0.00 N ATOM 598 CA ILE A 40 -1.639 -1.320 3.554 1.00 0.00 C ATOM 599 C ILE A 40 -1.976 -2.331 4.643 1.00 0.00 C ATOM 600 O ILE A 40 -2.477 -3.390 4.365 1.00 0.00 O ATOM 601 CB ILE A 40 -0.266 -1.614 2.947 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.838 -0.928 3.752 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.240 -1.113 1.503 1.00 0.00 C ATOM 604 CD1 ILE A 40 2.084 -1.816 3.741 1.00 0.00 C ATOM 0 H ILE A 40 -0.790 0.622 3.866 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.408 -1.390 2.785 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.090 -2.689 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.067 0.048 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.507 -0.756 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.736 -1.319 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.012 -1.623 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.425 -0.039 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.878 -1.336 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.847 -2.781 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.416 -1.965 2.713 1.00 0.00 H new ATOM 616 N GLY A 41 -1.738 -2.013 5.887 1.00 0.00 N ATOM 617 CA GLY A 41 -2.104 -2.978 6.959 1.00 0.00 C ATOM 618 C GLY A 41 -3.628 -3.051 6.990 1.00 0.00 C ATOM 619 O GLY A 41 -4.220 -4.095 6.801 1.00 0.00 O ATOM 0 H GLY A 41 -1.313 -1.141 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.675 -3.959 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.714 -2.651 7.923 1.00 0.00 H new ATOM 623 N ALA A 42 -4.265 -1.931 7.181 1.00 0.00 N ATOM 624 CA ALA A 42 -5.744 -1.901 7.169 1.00 0.00 C ATOM 625 C ALA A 42 -6.203 -2.154 5.742 1.00 0.00 C ATOM 626 O ALA A 42 -7.198 -2.806 5.497 1.00 0.00 O ATOM 627 CB ALA A 42 -6.104 -0.486 7.624 1.00 0.00 C ATOM 0 H ALA A 42 -3.816 -1.030 7.346 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.212 -2.648 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.188 -0.375 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.703 -0.312 8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.678 0.239 6.930 1.00 0.00 H new ATOM 633 N ALA A 43 -5.452 -1.668 4.794 1.00 0.00 N ATOM 634 CA ALA A 43 -5.806 -1.907 3.375 1.00 0.00 C ATOM 635 C ALA A 43 -5.594 -3.388 3.077 1.00 0.00 C ATOM 636 O ALA A 43 -6.290 -3.978 2.282 1.00 0.00 O ATOM 637 CB ALA A 43 -4.839 -1.043 2.565 1.00 0.00 C ATOM 0 H ALA A 43 -4.608 -1.115 4.945 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.840 -1.657 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.042 -1.169 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.970 0.004 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.814 -1.347 2.777 1.00 0.00 H new ATOM 643 N LEU A 44 -4.641 -3.999 3.729 1.00 0.00 N ATOM 644 CA LEU A 44 -4.402 -5.447 3.495 1.00 0.00 C ATOM 645 C LEU A 44 -5.736 -6.168 3.502 1.00 0.00 C ATOM 646 O LEU A 44 -5.958 -7.103 2.766 1.00 0.00 O ATOM 647 CB LEU A 44 -3.539 -5.916 4.665 1.00 0.00 C ATOM 648 CG LEU A 44 -2.311 -6.683 4.160 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.757 -8.025 3.582 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.576 -5.873 3.079 1.00 0.00 C ATOM 0 H LEU A 44 -4.022 -3.558 4.410 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.913 -5.644 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.220 -5.057 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.127 -6.555 5.324 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.629 -6.848 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.887 -8.573 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.257 -8.606 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.446 -7.854 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.707 -6.433 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.248 -5.691 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.251 -4.920 3.497 1.00 0.00 H new ATOM 662 N ASP A 45 -6.635 -5.736 4.329 1.00 0.00 N ATOM 663 CA ASP A 45 -7.953 -6.402 4.375 1.00 0.00 C ATOM 664 C ASP A 45 -8.654 -6.237 3.029 1.00 0.00 C ATOM 665 O ASP A 45 -9.429 -7.073 2.609 1.00 0.00 O ATOM 666 CB ASP A 45 -8.692 -5.719 5.548 1.00 0.00 C ATOM 667 CG ASP A 45 -9.949 -4.990 5.058 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.815 -4.113 4.221 1.00 0.00 O ATOM 669 OD2 ASP A 45 -11.025 -5.324 5.530 1.00 0.00 O ATOM 0 H ASP A 45 -6.515 -4.954 4.972 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.904 -7.478 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.968 -6.466 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.025 -5.011 6.039 1.00 0.00 H new ATOM 674 N THR A 46 -8.347 -5.190 2.336 1.00 0.00 N ATOM 675 CA THR A 46 -8.941 -4.985 1.002 1.00 0.00 C ATOM 676 C THR A 46 -7.919 -5.415 -0.040 1.00 0.00 C ATOM 677 O THR A 46 -8.256 -5.827 -1.132 1.00 0.00 O ATOM 678 CB THR A 46 -9.269 -3.481 0.907 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.418 -3.307 0.092 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.091 -2.696 0.299 1.00 0.00 C ATOM 0 H THR A 46 -7.703 -4.460 2.640 1.00 0.00 H new ATOM 0 HA THR A 46 -9.847 -5.567 0.836 1.00 0.00 H new ATOM 0 HB THR A 46 -9.455 -3.101 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.633 -2.353 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.349 -1.638 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.208 -2.822 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.882 -3.072 -0.703 1.00 0.00 H new ATOM 688 N ILE A 47 -6.664 -5.329 0.302 1.00 0.00 N ATOM 689 CA ILE A 47 -5.618 -5.737 -0.649 1.00 0.00 C ATOM 690 C ILE A 47 -5.386 -7.248 -0.567 1.00 0.00 C ATOM 691 O ILE A 47 -4.869 -7.844 -1.488 1.00 0.00 O ATOM 692 CB ILE A 47 -4.404 -4.951 -0.231 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.790 -3.481 -0.231 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.289 -5.177 -1.246 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.249 -3.073 -1.632 1.00 0.00 C ATOM 0 H ILE A 47 -6.326 -4.992 1.203 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.881 -5.538 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.060 -5.261 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.588 -3.304 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.941 -2.871 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.406 -4.610 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.043 -6.238 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.620 -4.844 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.526 -2.019 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.438 -3.235 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.111 -3.674 -1.922 1.00 0.00 H new ATOM 707 N GLN A 48 -5.786 -7.897 0.503 1.00 0.00 N ATOM 708 CA GLN A 48 -5.598 -9.363 0.543 1.00 0.00 C ATOM 709 C GLN A 48 -6.918 -10.041 0.183 1.00 0.00 C ATOM 710 O GLN A 48 -7.000 -11.248 0.072 1.00 0.00 O ATOM 711 CB GLN A 48 -5.157 -9.724 1.950 1.00 0.00 C ATOM 712 CG GLN A 48 -3.912 -10.615 1.871 1.00 0.00 C ATOM 713 CD GLN A 48 -4.151 -11.745 0.862 1.00 0.00 C ATOM 714 OE1 GLN A 48 -3.591 -11.691 -0.319 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 -4.857 -12.691 1.153 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.222 -7.479 1.325 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.844 -9.696 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.938 -8.821 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.959 -10.244 2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.047 -10.023 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.688 -11.032 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.295 -12.736 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.011 -13.439 0.477 1.00 0.00 H new ATOM 724 N TYR A 49 -7.949 -9.262 -0.024 1.00 0.00 N ATOM 725 CA TYR A 49 -9.258 -9.849 -0.403 1.00 0.00 C ATOM 726 C TYR A 49 -9.559 -11.080 0.458 1.00 0.00 C ATOM 727 O TYR A 49 -9.199 -12.189 0.119 1.00 0.00 O ATOM 728 CB TYR A 49 -9.067 -10.239 -1.865 1.00 0.00 C ATOM 729 CG TYR A 49 -8.505 -9.063 -2.635 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.120 -8.837 -2.662 1.00 0.00 C ATOM 731 CD2 TYR A 49 -9.367 -8.200 -3.322 1.00 0.00 C ATOM 732 CE1 TYR A 49 -6.600 -7.749 -3.376 1.00 0.00 C ATOM 733 CE2 TYR A 49 -8.846 -7.112 -4.036 1.00 0.00 C ATOM 734 CZ TYR A 49 -7.463 -6.887 -4.062 1.00 0.00 C ATOM 735 OH TYR A 49 -6.953 -5.816 -4.766 1.00 0.00 O ATOM 0 H TYR A 49 -7.935 -8.245 0.054 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.094 -9.165 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.392 -11.091 -1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.019 -10.548 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.454 -9.502 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.433 -8.372 -3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.534 -7.576 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.511 -6.447 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.687 -5.320 -5.184 1.00 0.00 H new ATOM 745 N SER A 50 -10.215 -10.891 1.571 1.00 0.00 N ATOM 746 CA SER A 50 -10.535 -12.049 2.455 1.00 0.00 C ATOM 747 C SER A 50 -11.944 -12.571 2.158 1.00 0.00 C ATOM 748 O SER A 50 -12.656 -13.000 3.043 1.00 0.00 O ATOM 749 CB SER A 50 -10.460 -11.493 3.876 1.00 0.00 C ATOM 750 OG SER A 50 -9.097 -11.349 4.252 1.00 0.00 O ATOM 0 H SER A 50 -10.543 -9.985 1.906 1.00 0.00 H new ATOM 0 HA SER A 50 -9.850 -12.883 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.968 -10.530 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.972 -12.162 4.568 1.00 0.00 H new ATOM 0 HG SER A 50 -9.045 -10.991 5.163 1.00 0.00 H new ATOM 756 N LYS A 51 -12.352 -12.537 0.919 1.00 0.00 N ATOM 757 CA LYS A 51 -13.714 -13.032 0.570 1.00 0.00 C ATOM 758 C LYS A 51 -13.651 -14.500 0.139 1.00 0.00 C ATOM 759 O LYS A 51 -14.476 -14.971 -0.617 1.00 0.00 O ATOM 760 CB LYS A 51 -14.170 -12.150 -0.593 1.00 0.00 C ATOM 761 CG LYS A 51 -14.516 -10.755 -0.071 1.00 0.00 C ATOM 762 CD LYS A 51 -13.414 -9.771 -0.471 1.00 0.00 C ATOM 763 CE LYS A 51 -14.045 -8.526 -1.098 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.618 -8.556 -2.525 1.00 0.00 N ATOM 0 H LYS A 51 -11.802 -12.188 0.134 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.401 -12.980 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.382 -12.084 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.038 -12.593 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.473 -10.430 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.622 -10.777 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.825 -9.493 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.731 -10.241 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.131 -8.547 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.703 -7.618 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.012 -7.732 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.580 -8.528 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.964 -9.429 -2.973 1.00 0.00 H new ATOM 778 N HIS A 52 -12.677 -15.226 0.615 1.00 0.00 N ATOM 779 CA HIS A 52 -12.562 -16.663 0.232 1.00 0.00 C ATOM 780 C HIS A 52 -13.095 -17.554 1.357 1.00 0.00 C ATOM 781 O HIS A 52 -14.303 -17.614 1.517 1.00 0.00 O ATOM 782 CB HIS A 52 -11.066 -16.899 0.023 1.00 0.00 C ATOM 783 CG HIS A 52 -10.706 -16.585 -1.403 1.00 0.00 C ATOM 784 ND1 HIS A 52 -11.210 -15.476 -2.065 1.00 0.00 N ATOM 785 CD2 HIS A 52 -9.893 -17.224 -2.306 1.00 0.00 C ATOM 786 CE1 HIS A 52 -10.701 -15.482 -3.311 1.00 0.00 C ATOM 787 NE2 HIS A 52 -9.891 -16.526 -3.510 1.00 0.00 N ATOM 788 OXT HIS A 52 -12.286 -18.163 2.037 1.00 0.00 O ATOM 0 H HIS A 52 -11.956 -14.887 1.252 1.00 0.00 H new ATOM 0 HA HIS A 52 -13.140 -16.900 -0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.489 -16.271 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.814 -17.934 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.339 -18.131 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.920 -14.734 -4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -9.381 -16.761 -4.361 1.00 0.00 H new TER 796 HIS A 52