USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc=-0.000358 USER MOD Set 1.2: A 16 MET CE :methyl -160:sc= -0.021 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 18 GLN : amide:sc= -0.0184 K(o=-0.018,f=-2.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.0936 (180deg=-0.493) USER MOD Single : A 27 THR OG1 : rot -120:sc= -3.8! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.675 X(o=-0.67,f=-0.67) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 84:sc= -0.0835 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc=-0.00239 (180deg=-0.0856) USER MOD Single : A 60 GLN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.203 -4.671 -9.417 1.00 0.00 N ATOM 42 CA LEU A 4 8.023 -5.786 -9.877 1.00 0.00 C ATOM 43 C LEU A 4 9.322 -5.286 -10.500 1.00 0.00 C ATOM 44 O LEU A 4 9.308 -4.613 -11.531 1.00 0.00 O ATOM 45 CB LEU A 4 7.249 -6.630 -10.891 1.00 0.00 C ATOM 46 CG LEU A 4 6.326 -7.701 -10.308 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.329 -8.174 -11.354 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.139 -8.872 -9.775 1.00 0.00 C ATOM 0 HA LEU A 4 8.270 -6.403 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.651 -5.961 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.967 -7.117 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 4 5.770 -7.263 -9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.681 -8.936 -10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.725 -7.331 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.866 -8.595 -12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.466 -9.625 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.721 -9.310 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.812 -8.521 -8.993 1.00 0.00 H new ATOM 60 N ARG A 5 10.443 -5.622 -9.870 1.00 0.00 N ATOM 61 CA ARG A 5 11.750 -5.208 -10.364 1.00 0.00 C ATOM 62 C ARG A 5 12.845 -6.137 -9.848 1.00 0.00 C ATOM 63 O ARG A 5 12.659 -6.843 -8.857 1.00 0.00 O ATOM 64 CB ARG A 5 12.047 -3.768 -9.940 1.00 0.00 C ATOM 65 CG ARG A 5 12.035 -3.562 -8.434 1.00 0.00 C ATOM 66 CD ARG A 5 12.938 -2.410 -8.022 1.00 0.00 C ATOM 67 NE ARG A 5 12.242 -1.127 -8.064 1.00 0.00 N ATOM 68 CZ ARG A 5 12.716 -0.015 -7.512 1.00 0.00 C ATOM 69 NH1 ARG A 5 13.882 -0.030 -6.880 1.00 0.00 N ATOM 70 NH2 ARG A 5 12.025 1.114 -7.593 1.00 0.00 N ATOM 0 H ARG A 5 10.472 -6.180 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 5 11.733 -5.263 -11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.022 -3.477 -10.330 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.311 -3.105 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.016 -3.364 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.361 -4.476 -7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.313 -2.586 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.804 -2.374 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 5 11.343 -1.082 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.417 -0.896 -6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.244 0.825 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.129 1.130 -8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.390 1.967 -7.169 1.00 0.00 H new ATOM 84 N VAL A 6 13.988 -6.131 -10.528 1.00 0.00 N ATOM 85 CA VAL A 6 15.113 -6.973 -10.139 1.00 0.00 C ATOM 86 C VAL A 6 15.783 -6.445 -8.875 1.00 0.00 C ATOM 87 O VAL A 6 16.206 -5.291 -8.820 1.00 0.00 O ATOM 88 CB VAL A 6 16.162 -7.063 -11.264 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.633 -5.674 -11.667 1.00 0.00 C ATOM 90 CG2 VAL A 6 17.335 -7.928 -10.829 1.00 0.00 C ATOM 0 H VAL A 6 14.159 -5.552 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 6 14.712 -7.968 -9.946 1.00 0.00 H new ATOM 0 HB VAL A 6 15.699 -7.529 -12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.373 -5.757 -12.463 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.783 -5.090 -12.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.080 -5.177 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.067 -7.981 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.800 -7.492 -9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.980 -8.932 -10.595 1.00 0.00 H new ATOM 100 N GLY A 7 15.875 -7.299 -7.860 1.00 0.00 N ATOM 101 CA GLY A 7 16.495 -6.900 -6.610 1.00 0.00 C ATOM 102 C GLY A 7 15.629 -7.217 -5.407 1.00 0.00 C ATOM 103 O GLY A 7 16.105 -7.208 -4.271 1.00 0.00 O ATOM 0 H GLY A 7 15.532 -8.259 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.455 -7.406 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.700 -5.830 -6.635 1.00 0.00 H new ATOM 107 N LEU A 8 14.355 -7.497 -5.655 1.00 0.00 N ATOM 108 CA LEU A 8 13.419 -7.816 -4.582 1.00 0.00 C ATOM 109 C LEU A 8 13.932 -8.981 -3.741 1.00 0.00 C ATOM 110 O LEU A 8 13.591 -9.107 -2.564 1.00 0.00 O ATOM 111 CB LEU A 8 12.045 -8.157 -5.162 1.00 0.00 C ATOM 112 CG LEU A 8 11.908 -9.542 -5.794 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.131 -10.473 -4.876 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.232 -9.444 -7.154 1.00 0.00 C ATOM 0 H LEU A 8 13.946 -7.510 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 8 13.328 -6.940 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.305 -8.068 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.795 -7.410 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 8 12.906 -9.955 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.043 -11.454 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.656 -10.569 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.136 -10.064 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.143 -10.440 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.239 -9.009 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.829 -8.813 -7.812 1.00 0.00 H new ATOM 126 N CYS A 9 14.753 -9.828 -4.351 1.00 0.00 N ATOM 127 CA CYS A 9 15.315 -10.982 -3.658 1.00 0.00 C ATOM 128 C CYS A 9 16.386 -11.658 -4.508 1.00 0.00 C ATOM 129 O CYS A 9 16.379 -11.581 -5.737 1.00 0.00 O ATOM 130 CB CYS A 9 14.211 -11.983 -3.315 1.00 0.00 C ATOM 131 SG CYS A 9 13.544 -12.865 -4.746 1.00 0.00 S ATOM 0 H CYS A 9 15.045 -9.738 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 9 15.778 -10.632 -2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.603 -12.710 -2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.398 -11.455 -2.816 1.00 0.00 H new ATOM 0 HG CYS A 9 12.619 -13.690 -4.355 1.00 0.00 H new ATOM 137 N PRO A 10 17.331 -12.336 -3.840 1.00 0.00 N ATOM 138 CA PRO A 10 18.427 -13.038 -4.514 1.00 0.00 C ATOM 139 C PRO A 10 17.946 -14.268 -5.277 1.00 0.00 C ATOM 140 O PRO A 10 17.984 -15.384 -4.762 1.00 0.00 O ATOM 141 CB PRO A 10 19.346 -13.450 -3.361 1.00 0.00 C ATOM 142 CG PRO A 10 18.451 -13.527 -2.172 1.00 0.00 C ATOM 143 CD PRO A 10 17.401 -12.470 -2.375 1.00 0.00 C ATOM 0 HA PRO A 10 18.913 -12.412 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.824 -14.409 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.143 -12.722 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.999 -14.515 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.008 -13.352 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.442 -12.770 -1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.679 -11.530 -1.898 1.00 0.00 H new ATOM 151 N GLY A 11 17.493 -14.054 -6.509 1.00 0.00 N ATOM 152 CA GLY A 11 17.011 -15.155 -7.323 1.00 0.00 C ATOM 153 C GLY A 11 16.306 -14.682 -8.579 1.00 0.00 C ATOM 154 O GLY A 11 16.533 -15.214 -9.666 1.00 0.00 O ATOM 0 H GLY A 11 17.451 -13.139 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.850 -15.793 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.327 -15.766 -6.734 1.00 0.00 H new ATOM 158 N LEU A 12 15.446 -13.680 -8.431 1.00 0.00 N ATOM 159 CA LEU A 12 14.704 -13.135 -9.562 1.00 0.00 C ATOM 160 C LEU A 12 15.644 -12.463 -10.558 1.00 0.00 C ATOM 161 O LEU A 12 16.573 -11.753 -10.170 1.00 0.00 O ATOM 162 CB LEU A 12 13.656 -12.132 -9.075 1.00 0.00 C ATOM 163 CG LEU A 12 12.284 -12.218 -9.744 1.00 0.00 C ATOM 164 CD1 LEU A 12 12.392 -11.901 -11.227 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.673 -13.596 -9.534 1.00 0.00 C ATOM 0 H LEU A 12 15.246 -13.229 -7.539 1.00 0.00 H new ATOM 0 HA LEU A 12 14.201 -13.960 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.524 -12.267 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.048 -11.126 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 12 11.630 -11.479 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.406 -11.967 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.785 -10.893 -11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.063 -12.616 -11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.697 -13.639 -10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.326 -14.353 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.558 -13.784 -8.467 1.00 0.00 H new ATOM 177 N THR A 13 15.396 -12.688 -11.844 1.00 0.00 N ATOM 178 CA THR A 13 16.219 -12.104 -12.895 1.00 0.00 C ATOM 179 C THR A 13 15.476 -10.986 -13.617 1.00 0.00 C ATOM 180 O THR A 13 14.260 -11.050 -13.795 1.00 0.00 O ATOM 181 CB THR A 13 16.652 -13.165 -13.924 1.00 0.00 C ATOM 182 OG1 THR A 13 15.509 -13.655 -14.634 1.00 0.00 O ATOM 183 CG2 THR A 13 17.366 -14.322 -13.241 1.00 0.00 C ATOM 0 H THR A 13 14.631 -13.271 -12.183 1.00 0.00 H new ATOM 0 HA THR A 13 17.106 -11.694 -12.411 1.00 0.00 H new ATOM 0 HB THR A 13 17.342 -12.697 -14.626 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.793 -14.328 -15.287 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.662 -15.059 -13.988 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.252 -13.950 -12.727 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.696 -14.787 -12.518 1.00 0.00 H new ATOM 191 N GLU A 14 16.215 -9.962 -14.032 1.00 0.00 N ATOM 192 CA GLU A 14 15.624 -8.829 -14.736 1.00 0.00 C ATOM 193 C GLU A 14 14.923 -9.287 -16.011 1.00 0.00 C ATOM 194 O GLU A 14 13.879 -8.752 -16.383 1.00 0.00 O ATOM 195 CB GLU A 14 16.699 -7.794 -15.075 1.00 0.00 C ATOM 196 CG GLU A 14 17.828 -8.347 -15.928 1.00 0.00 C ATOM 197 CD GLU A 14 19.052 -7.451 -15.929 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.896 -6.236 -15.683 1.00 0.00 O ATOM 199 OE2 GLU A 14 20.163 -7.963 -16.175 1.00 0.00 O ATOM 0 H GLU A 14 17.223 -9.893 -13.893 1.00 0.00 H new ATOM 0 HA GLU A 14 14.884 -8.372 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.235 -6.958 -15.599 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.115 -7.398 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.106 -9.335 -15.560 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.476 -8.475 -16.951 1.00 0.00 H new ATOM 206 N GLU A 15 15.505 -10.280 -16.676 1.00 0.00 N ATOM 207 CA GLU A 15 14.936 -10.808 -17.911 1.00 0.00 C ATOM 208 C GLU A 15 13.515 -11.315 -17.682 1.00 0.00 C ATOM 209 O GLU A 15 12.644 -11.158 -18.537 1.00 0.00 O ATOM 210 CB GLU A 15 15.810 -11.938 -18.458 1.00 0.00 C ATOM 211 CG GLU A 15 16.885 -11.464 -19.421 1.00 0.00 C ATOM 212 CD GLU A 15 18.144 -11.006 -18.710 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.404 -11.496 -17.591 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.868 -10.158 -19.272 1.00 0.00 O ATOM 0 H GLU A 15 16.369 -10.735 -16.381 1.00 0.00 H new ATOM 0 HA GLU A 15 14.901 -9.999 -18.640 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.284 -12.456 -17.624 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.175 -12.665 -18.965 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.134 -12.272 -20.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.493 -10.644 -20.022 1.00 0.00 H new ATOM 221 N MET A 16 13.289 -11.923 -16.522 1.00 0.00 N ATOM 222 CA MET A 16 11.974 -12.452 -16.179 1.00 0.00 C ATOM 223 C MET A 16 10.979 -11.322 -15.939 1.00 0.00 C ATOM 224 O MET A 16 9.835 -11.383 -16.391 1.00 0.00 O ATOM 225 CB MET A 16 12.066 -13.340 -14.937 1.00 0.00 C ATOM 226 CG MET A 16 12.384 -14.793 -15.250 1.00 0.00 C ATOM 227 SD MET A 16 12.322 -15.848 -13.790 1.00 0.00 S ATOM 228 CE MET A 16 14.027 -16.391 -13.692 1.00 0.00 C ATOM 0 H MET A 16 14.000 -12.062 -15.804 1.00 0.00 H new ATOM 0 HA MET A 16 11.620 -13.050 -17.019 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.834 -12.943 -14.273 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.121 -13.292 -14.396 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.677 -15.164 -15.992 1.00 0.00 H new ATOM 0 HG3 MET A 16 13.376 -14.856 -15.697 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.086 -17.297 -13.089 1.00 0.00 H new ATOM 0 HE2 MET A 16 14.401 -16.597 -14.695 1.00 0.00 H new ATOM 0 HE3 MET A 16 14.632 -15.609 -13.233 1.00 0.00 H new ATOM 238 N ILE A 17 11.421 -10.292 -15.225 1.00 0.00 N ATOM 239 CA ILE A 17 10.569 -9.148 -14.925 1.00 0.00 C ATOM 240 C ILE A 17 10.168 -8.413 -16.200 1.00 0.00 C ATOM 241 O ILE A 17 9.016 -8.012 -16.359 1.00 0.00 O ATOM 242 CB ILE A 17 11.267 -8.160 -13.973 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.645 -8.858 -12.665 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.369 -6.962 -13.701 1.00 0.00 C ATOM 245 CD1 ILE A 17 13.034 -8.512 -12.176 1.00 0.00 C ATOM 0 H ILE A 17 12.365 -10.226 -14.843 1.00 0.00 H new ATOM 0 HA ILE A 17 9.676 -9.538 -14.437 1.00 0.00 H new ATOM 0 HB ILE A 17 12.180 -7.804 -14.449 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.920 -8.589 -11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.576 -9.937 -12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.877 -6.273 -13.026 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.146 -6.454 -14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.440 -7.300 -13.242 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.235 -9.042 -11.245 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.768 -8.806 -12.926 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.102 -7.438 -12.004 1.00 0.00 H new ATOM 257 N GLN A 18 11.127 -8.242 -17.104 1.00 0.00 N ATOM 258 CA GLN A 18 10.873 -7.555 -18.365 1.00 0.00 C ATOM 259 C GLN A 18 9.766 -8.251 -19.150 1.00 0.00 C ATOM 260 O GLN A 18 8.932 -7.597 -19.778 1.00 0.00 O ATOM 261 CB GLN A 18 12.151 -7.498 -19.205 1.00 0.00 C ATOM 262 CG GLN A 18 13.216 -6.578 -18.630 1.00 0.00 C ATOM 263 CD GLN A 18 13.024 -5.133 -19.044 1.00 0.00 C ATOM 264 OE1 GLN A 18 11.902 -4.627 -19.075 1.00 0.00 O ATOM 265 NE2 GLN A 18 14.122 -4.459 -19.367 1.00 0.00 N ATOM 0 H GLN A 18 12.086 -8.569 -16.987 1.00 0.00 H new ATOM 0 HA GLN A 18 10.550 -6.539 -18.138 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.562 -8.504 -19.295 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.900 -7.165 -20.212 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.200 -6.645 -17.542 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.199 -6.918 -18.956 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.032 -4.918 -19.327 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.055 -3.483 -19.655 1.00 0.00 H new ATOM 274 N LEU A 19 9.763 -9.578 -19.110 1.00 0.00 N ATOM 275 CA LEU A 19 8.758 -10.363 -19.818 1.00 0.00 C ATOM 276 C LEU A 19 7.386 -10.201 -19.171 1.00 0.00 C ATOM 277 O LEU A 19 6.364 -10.164 -19.858 1.00 0.00 O ATOM 278 CB LEU A 19 9.155 -11.840 -19.835 1.00 0.00 C ATOM 279 CG LEU A 19 10.045 -12.283 -20.997 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.616 -13.668 -20.734 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.265 -12.264 -22.303 1.00 0.00 C ATOM 0 H LEU A 19 10.446 -10.134 -18.595 1.00 0.00 H new ATOM 0 HA LEU A 19 8.702 -9.996 -20.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.670 -12.068 -18.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.245 -12.440 -19.851 1.00 0.00 H new ATOM 0 HG LEU A 19 10.875 -11.581 -21.083 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.247 -13.967 -21.571 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.211 -13.649 -19.821 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.800 -14.382 -20.621 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.914 -12.582 -23.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.415 -12.943 -22.229 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.906 -11.253 -22.498 1.00 0.00 H new ATOM 293 N LEU A 20 7.370 -10.102 -17.846 1.00 0.00 N ATOM 294 CA LEU A 20 6.123 -9.941 -17.106 1.00 0.00 C ATOM 295 C LEU A 20 5.416 -8.650 -17.506 1.00 0.00 C ATOM 296 O LEU A 20 4.201 -8.632 -17.704 1.00 0.00 O ATOM 297 CB LEU A 20 6.398 -9.940 -15.601 1.00 0.00 C ATOM 298 CG LEU A 20 6.893 -11.260 -15.009 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.668 -11.011 -13.724 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.725 -12.202 -14.755 1.00 0.00 C ATOM 0 H LEU A 20 8.206 -10.130 -17.262 1.00 0.00 H new ATOM 0 HA LEU A 20 5.472 -10.781 -17.350 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.138 -9.169 -15.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.482 -9.654 -15.085 1.00 0.00 H new ATOM 0 HG LEU A 20 7.563 -11.730 -15.729 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.013 -11.962 -13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.527 -10.374 -13.935 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.021 -10.519 -12.998 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.096 -13.136 -14.334 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.030 -11.739 -14.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.211 -12.406 -15.694 1.00 0.00 H new ATOM 312 N ARG A 21 6.184 -7.572 -17.624 1.00 0.00 N ATOM 313 CA ARG A 21 5.631 -6.277 -18.002 1.00 0.00 C ATOM 314 C ARG A 21 4.984 -6.344 -19.382 1.00 0.00 C ATOM 315 O ARG A 21 4.051 -5.597 -19.678 1.00 0.00 O ATOM 316 CB ARG A 21 6.725 -5.208 -17.991 1.00 0.00 C ATOM 317 CG ARG A 21 6.196 -3.796 -17.804 1.00 0.00 C ATOM 318 CD ARG A 21 5.758 -3.550 -16.368 1.00 0.00 C ATOM 319 NE ARG A 21 6.878 -3.626 -15.434 1.00 0.00 N ATOM 320 CZ ARG A 21 7.843 -2.715 -15.368 1.00 0.00 C ATOM 321 NH1 ARG A 21 7.824 -1.664 -16.176 1.00 0.00 N ATOM 322 NH2 ARG A 21 8.829 -2.854 -14.490 1.00 0.00 N ATOM 0 H ARG A 21 7.191 -7.570 -17.463 1.00 0.00 H new ATOM 0 HA ARG A 21 4.865 -6.011 -17.273 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.431 -5.431 -17.191 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.279 -5.258 -18.928 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.969 -3.078 -18.078 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.354 -3.630 -18.476 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.291 -2.568 -16.295 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.002 -4.284 -16.089 1.00 0.00 H new ATOM 0 HE ARG A 21 6.922 -4.422 -14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.067 -1.553 -16.851 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.566 -0.966 -16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.846 -3.660 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.570 -2.154 -14.440 1.00 0.00 H new ATOM 336 N SER A 22 5.486 -7.242 -20.223 1.00 0.00 N ATOM 337 CA SER A 22 4.961 -7.403 -21.573 1.00 0.00 C ATOM 338 C SER A 22 3.482 -7.779 -21.539 1.00 0.00 C ATOM 339 O SER A 22 2.723 -7.441 -22.447 1.00 0.00 O ATOM 340 CB SER A 22 5.753 -8.473 -22.327 1.00 0.00 C ATOM 341 OG SER A 22 5.509 -8.399 -23.722 1.00 0.00 O ATOM 0 H SER A 22 6.256 -7.870 -19.993 1.00 0.00 H new ATOM 0 HA SER A 22 5.065 -6.451 -22.093 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.818 -8.346 -22.134 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.478 -9.461 -21.958 1.00 0.00 H new ATOM 0 HG SER A 22 6.028 -9.092 -24.182 1.00 0.00 H new ATOM 347 N HIS A 23 3.081 -8.482 -20.485 1.00 0.00 N ATOM 348 CA HIS A 23 1.693 -8.904 -20.330 1.00 0.00 C ATOM 349 C HIS A 23 0.903 -7.886 -19.513 1.00 0.00 C ATOM 350 O HIS A 23 -0.189 -8.179 -19.027 1.00 0.00 O ATOM 351 CB HIS A 23 1.627 -10.276 -19.659 1.00 0.00 C ATOM 352 CG HIS A 23 1.835 -11.417 -20.606 1.00 0.00 C ATOM 353 ND1 HIS A 23 3.083 -11.848 -21.004 1.00 0.00 N ATOM 354 CD2 HIS A 23 0.944 -12.220 -21.234 1.00 0.00 C ATOM 355 CE1 HIS A 23 2.950 -12.864 -21.837 1.00 0.00 C ATOM 356 NE2 HIS A 23 1.662 -13.110 -21.993 1.00 0.00 N ATOM 0 H HIS A 23 3.697 -8.772 -19.725 1.00 0.00 H new ATOM 0 HA HIS A 23 1.247 -8.971 -21.322 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.382 -10.324 -18.874 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.657 -10.388 -19.175 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.132 -12.170 -21.153 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.758 -13.402 -22.310 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.265 -13.842 -22.582 1.00 0.00 H new ATOM 364 N ARG A 24 1.463 -6.690 -19.366 1.00 0.00 N ATOM 365 CA ARG A 24 0.812 -5.630 -18.606 1.00 0.00 C ATOM 366 C ARG A 24 0.478 -6.100 -17.193 1.00 0.00 C ATOM 367 O ARG A 24 -0.453 -5.595 -16.565 1.00 0.00 O ATOM 368 CB ARG A 24 -0.463 -5.172 -19.318 1.00 0.00 C ATOM 369 CG ARG A 24 -0.242 -4.776 -20.768 1.00 0.00 C ATOM 370 CD ARG A 24 -1.370 -3.895 -21.283 1.00 0.00 C ATOM 371 NE ARG A 24 -2.601 -4.651 -21.494 1.00 0.00 N ATOM 372 CZ ARG A 24 -3.725 -4.111 -21.952 1.00 0.00 C ATOM 373 NH1 ARG A 24 -3.772 -2.819 -22.247 1.00 0.00 N ATOM 374 NH2 ARG A 24 -4.805 -4.864 -22.118 1.00 0.00 N ATOM 0 H ARG A 24 2.366 -6.431 -19.763 1.00 0.00 H new ATOM 0 HA ARG A 24 1.503 -4.790 -18.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.200 -5.974 -19.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.885 -4.324 -18.779 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.706 -4.247 -20.861 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.169 -5.672 -21.384 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.556 -3.091 -20.571 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.066 -3.428 -22.220 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.598 -5.648 -21.278 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.944 -2.237 -22.122 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.636 -2.407 -22.598 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.773 -5.859 -21.894 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.667 -4.448 -22.470 1.00 0.00 H new ATOM 388 N ILE A 25 1.244 -7.068 -16.701 1.00 0.00 N ATOM 389 CA ILE A 25 1.030 -7.605 -15.363 1.00 0.00 C ATOM 390 C ILE A 25 1.200 -6.522 -14.303 1.00 0.00 C ATOM 391 O ILE A 25 1.978 -5.584 -14.477 1.00 0.00 O ATOM 392 CB ILE A 25 1.998 -8.763 -15.059 1.00 0.00 C ATOM 393 CG1 ILE A 25 1.847 -9.871 -16.104 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.750 -9.308 -13.661 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.659 -11.108 -15.794 1.00 0.00 C ATOM 0 H ILE A 25 2.018 -7.496 -17.209 1.00 0.00 H new ATOM 0 HA ILE A 25 0.007 -7.981 -15.334 1.00 0.00 H new ATOM 0 HB ILE A 25 3.019 -8.384 -15.104 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.795 -10.146 -16.180 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.147 -9.484 -17.078 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.442 -10.126 -13.461 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.904 -8.515 -12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.726 -9.674 -13.590 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.503 -11.851 -16.576 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.716 -10.847 -15.747 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.344 -11.519 -14.835 1.00 0.00 H new ATOM 407 N LYS A 26 0.470 -6.660 -13.201 1.00 0.00 N ATOM 408 CA LYS A 26 0.542 -5.697 -12.109 1.00 0.00 C ATOM 409 C LYS A 26 1.664 -6.055 -11.141 1.00 0.00 C ATOM 410 O LYS A 26 2.456 -6.962 -11.399 1.00 0.00 O ATOM 411 CB LYS A 26 -0.793 -5.642 -11.362 1.00 0.00 C ATOM 412 CG LYS A 26 -1.525 -4.321 -11.521 1.00 0.00 C ATOM 413 CD LYS A 26 -0.746 -3.173 -10.902 1.00 0.00 C ATOM 414 CE LYS A 26 -0.945 -3.113 -9.395 1.00 0.00 C ATOM 415 NZ LYS A 26 -2.355 -2.798 -9.034 1.00 0.00 N ATOM 0 H LYS A 26 -0.179 -7.431 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 26 0.754 -4.716 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.434 -6.448 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.614 -5.824 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.690 -4.121 -12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.507 -4.390 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.314 -3.289 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.065 -2.232 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.662 -4.068 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.284 -2.357 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.386 -2.389 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.744 -2.115 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.922 -3.670 -9.055 1.00 0.00 H new ATOM 429 N THR A 27 1.728 -5.337 -10.024 1.00 0.00 N ATOM 430 CA THR A 27 2.753 -5.579 -9.017 1.00 0.00 C ATOM 431 C THR A 27 2.504 -6.891 -8.282 1.00 0.00 C ATOM 432 O THR A 27 1.570 -7.626 -8.604 1.00 0.00 O ATOM 433 CB THR A 27 2.814 -4.432 -7.990 1.00 0.00 C ATOM 434 OG1 THR A 27 1.757 -4.574 -7.034 1.00 0.00 O ATOM 435 CG2 THR A 27 2.703 -3.081 -8.680 1.00 0.00 C ATOM 0 H THR A 27 1.081 -4.583 -9.794 1.00 0.00 H new ATOM 0 HA THR A 27 3.705 -5.636 -9.544 1.00 0.00 H new ATOM 0 HB THR A 27 3.775 -4.482 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.181 -3.782 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.749 -2.287 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.526 -2.964 -9.385 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.755 -3.022 -9.215 1.00 0.00 H new ATOM 443 N VAL A 28 3.344 -7.179 -7.293 1.00 0.00 N ATOM 444 CA VAL A 28 3.213 -8.403 -6.511 1.00 0.00 C ATOM 445 C VAL A 28 1.770 -8.622 -6.071 1.00 0.00 C ATOM 446 O VAL A 28 1.330 -9.758 -5.890 1.00 0.00 O ATOM 447 CB VAL A 28 4.119 -8.373 -5.266 1.00 0.00 C ATOM 448 CG1 VAL A 28 5.583 -8.451 -5.669 1.00 0.00 C ATOM 449 CG2 VAL A 28 3.850 -7.122 -4.442 1.00 0.00 C ATOM 0 H VAL A 28 4.122 -6.582 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 28 3.522 -9.226 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 28 3.890 -9.243 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.208 -8.428 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.762 -9.378 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.831 -7.602 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.499 -7.117 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.050 -6.238 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.808 -7.114 -4.122 1.00 0.00 H new ATOM 459 N VAL A 29 1.036 -7.527 -5.900 1.00 0.00 N ATOM 460 CA VAL A 29 -0.359 -7.599 -5.483 1.00 0.00 C ATOM 461 C VAL A 29 -1.170 -8.481 -6.425 1.00 0.00 C ATOM 462 O VAL A 29 -1.986 -9.292 -5.985 1.00 0.00 O ATOM 463 CB VAL A 29 -1.001 -6.200 -5.427 1.00 0.00 C ATOM 464 CG1 VAL A 29 -0.938 -5.529 -6.791 1.00 0.00 C ATOM 465 CG2 VAL A 29 -2.438 -6.292 -4.935 1.00 0.00 C ATOM 0 H VAL A 29 1.385 -6.579 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.368 -8.035 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.438 -5.589 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.396 -4.542 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.103 -5.428 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.475 -6.136 -7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.876 -5.294 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.016 -6.919 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.453 -6.728 -3.936 1.00 0.00 H new ATOM 475 N ASP A 30 -0.941 -8.318 -7.723 1.00 0.00 N ATOM 476 CA ASP A 30 -1.649 -9.101 -8.729 1.00 0.00 C ATOM 477 C ASP A 30 -1.144 -10.541 -8.752 1.00 0.00 C ATOM 478 O ASP A 30 -1.904 -11.471 -9.024 1.00 0.00 O ATOM 479 CB ASP A 30 -1.480 -8.467 -10.111 1.00 0.00 C ATOM 480 CG ASP A 30 -1.962 -9.374 -11.227 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.052 -9.965 -11.082 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.247 -9.494 -12.244 1.00 0.00 O ATOM 0 H ASP A 30 -0.270 -7.650 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.707 -9.110 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.032 -7.528 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.429 -8.226 -10.271 1.00 0.00 H new ATOM 487 N LEU A 31 0.141 -10.716 -8.465 1.00 0.00 N ATOM 488 CA LEU A 31 0.748 -12.043 -8.453 1.00 0.00 C ATOM 489 C LEU A 31 -0.053 -13.000 -7.576 1.00 0.00 C ATOM 490 O LEU A 31 -0.168 -14.188 -7.879 1.00 0.00 O ATOM 491 CB LEU A 31 2.191 -11.960 -7.952 1.00 0.00 C ATOM 492 CG LEU A 31 3.050 -13.205 -8.174 1.00 0.00 C ATOM 493 CD1 LEU A 31 4.510 -12.821 -8.357 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.894 -14.175 -7.011 1.00 0.00 C ATOM 0 H LEU A 31 0.783 -9.956 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 31 0.745 -12.427 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.677 -11.116 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.172 -11.742 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 31 2.709 -13.700 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.106 -13.720 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.608 -12.165 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.864 -12.302 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.512 -15.055 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.208 -13.689 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.850 -14.476 -6.926 1.00 0.00 H new ATOM 506 N VAL A 32 -0.608 -12.474 -6.488 1.00 0.00 N ATOM 507 CA VAL A 32 -1.401 -13.281 -5.568 1.00 0.00 C ATOM 508 C VAL A 32 -2.515 -14.017 -6.304 1.00 0.00 C ATOM 509 O VAL A 32 -2.963 -15.079 -5.871 1.00 0.00 O ATOM 510 CB VAL A 32 -2.021 -12.416 -4.455 1.00 0.00 C ATOM 511 CG1 VAL A 32 -0.978 -11.482 -3.861 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.209 -11.630 -4.990 1.00 0.00 C ATOM 0 H VAL A 32 -0.523 -11.493 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.724 -14.007 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.377 -13.075 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.435 -10.879 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.162 -12.069 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.589 -10.828 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.635 -11.024 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.880 -10.980 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.965 -12.321 -5.363 1.00 0.00 H new ATOM 522 N SER A 33 -2.958 -13.447 -7.420 1.00 0.00 N ATOM 523 CA SER A 33 -4.022 -14.047 -8.215 1.00 0.00 C ATOM 524 C SER A 33 -3.454 -14.738 -9.451 1.00 0.00 C ATOM 525 O SER A 33 -4.056 -15.667 -9.989 1.00 0.00 O ATOM 526 CB SER A 33 -5.038 -12.982 -8.634 1.00 0.00 C ATOM 527 OG SER A 33 -6.101 -12.897 -7.702 1.00 0.00 O ATOM 0 H SER A 33 -2.596 -12.570 -7.794 1.00 0.00 H new ATOM 0 HA SER A 33 -4.523 -14.795 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.543 -12.014 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.434 -13.221 -9.621 1.00 0.00 H new ATOM 0 HG SER A 33 -6.736 -12.209 -7.991 1.00 0.00 H new ATOM 533 N ALA A 34 -2.289 -14.276 -9.896 1.00 0.00 N ATOM 534 CA ALA A 34 -1.637 -14.850 -11.067 1.00 0.00 C ATOM 535 C ALA A 34 -1.383 -16.341 -10.878 1.00 0.00 C ATOM 536 O ALA A 34 -1.741 -16.917 -9.850 1.00 0.00 O ATOM 537 CB ALA A 34 -0.332 -14.122 -11.354 1.00 0.00 C ATOM 0 H ALA A 34 -1.778 -13.506 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.304 -14.727 -11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.144 -14.561 -12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.537 -13.068 -11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.333 -14.215 -10.495 1.00 0.00 H new ATOM 543 N ASP A 35 -0.764 -16.962 -11.876 1.00 0.00 N ATOM 544 CA ASP A 35 -0.462 -18.388 -11.820 1.00 0.00 C ATOM 545 C ASP A 35 0.978 -18.620 -11.372 1.00 0.00 C ATOM 546 O ASP A 35 1.762 -19.259 -12.075 1.00 0.00 O ATOM 547 CB ASP A 35 -0.695 -19.035 -13.186 1.00 0.00 C ATOM 548 CG ASP A 35 -2.076 -18.739 -13.738 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.063 -19.255 -13.174 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.169 -17.993 -14.736 1.00 0.00 O ATOM 0 H ASP A 35 -0.461 -16.500 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.130 -18.848 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.058 -18.677 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.564 -20.114 -13.101 1.00 0.00 H new ATOM 555 N LEU A 36 1.320 -18.097 -10.200 1.00 0.00 N ATOM 556 CA LEU A 36 2.666 -18.246 -9.659 1.00 0.00 C ATOM 557 C LEU A 36 3.053 -19.718 -9.559 1.00 0.00 C ATOM 558 O LEU A 36 4.201 -20.085 -9.805 1.00 0.00 O ATOM 559 CB LEU A 36 2.758 -17.589 -8.280 1.00 0.00 C ATOM 560 CG LEU A 36 4.149 -17.120 -7.852 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.090 -18.305 -7.704 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.705 -16.117 -8.853 1.00 0.00 C ATOM 0 H LEU A 36 0.683 -17.566 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 36 3.361 -17.752 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.086 -16.731 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.390 -18.297 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 36 4.063 -16.627 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.075 -17.952 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.700 -18.988 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.171 -18.827 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.695 -15.794 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.776 -16.584 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.042 -15.253 -8.909 1.00 0.00 H new ATOM 574 N GLU A 37 2.085 -20.556 -9.201 1.00 0.00 N ATOM 575 CA GLU A 37 2.325 -21.989 -9.071 1.00 0.00 C ATOM 576 C GLU A 37 2.707 -22.600 -10.416 1.00 0.00 C ATOM 577 O GLU A 37 3.583 -23.461 -10.492 1.00 0.00 O ATOM 578 CB GLU A 37 1.084 -22.688 -8.514 1.00 0.00 C ATOM 579 CG GLU A 37 -0.170 -22.450 -9.338 1.00 0.00 C ATOM 580 CD GLU A 37 -1.438 -22.550 -8.513 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.386 -23.144 -7.416 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.483 -22.035 -8.964 1.00 0.00 O ATOM 0 H GLU A 37 1.128 -20.268 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 37 3.154 -22.132 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.275 -23.760 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.910 -22.343 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.117 -21.463 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.211 -23.177 -10.149 1.00 0.00 H new ATOM 589 N GLU A 38 2.041 -22.149 -11.475 1.00 0.00 N ATOM 590 CA GLU A 38 2.309 -22.653 -12.817 1.00 0.00 C ATOM 591 C GLU A 38 3.617 -22.084 -13.360 1.00 0.00 C ATOM 592 O GLU A 38 4.461 -22.819 -13.873 1.00 0.00 O ATOM 593 CB GLU A 38 1.156 -22.299 -13.758 1.00 0.00 C ATOM 594 CG GLU A 38 1.266 -22.951 -15.126 1.00 0.00 C ATOM 595 CD GLU A 38 0.634 -22.116 -16.223 1.00 0.00 C ATOM 596 OE1 GLU A 38 1.165 -21.026 -16.520 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.393 -22.553 -16.784 1.00 0.00 O ATOM 0 H GLU A 38 1.313 -21.436 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 38 2.401 -23.738 -12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.216 -22.599 -13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.119 -21.217 -13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.317 -23.118 -15.361 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.787 -23.930 -15.098 1.00 0.00 H new ATOM 604 N VAL A 39 3.777 -20.769 -13.245 1.00 0.00 N ATOM 605 CA VAL A 39 4.981 -20.101 -13.723 1.00 0.00 C ATOM 606 C VAL A 39 6.219 -20.608 -12.992 1.00 0.00 C ATOM 607 O VAL A 39 7.234 -20.922 -13.613 1.00 0.00 O ATOM 608 CB VAL A 39 4.883 -18.574 -13.546 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.160 -17.898 -14.022 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.673 -18.028 -14.288 1.00 0.00 C ATOM 0 H VAL A 39 3.088 -20.146 -12.825 1.00 0.00 H new ATOM 0 HA VAL A 39 5.070 -20.332 -14.785 1.00 0.00 H new ATOM 0 HB VAL A 39 4.759 -18.356 -12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.072 -16.820 -13.889 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.005 -18.267 -13.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.319 -18.122 -15.077 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.620 -16.948 -14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.764 -18.256 -15.350 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.767 -18.488 -13.895 1.00 0.00 H new ATOM 620 N ALA A 40 6.127 -20.687 -11.669 1.00 0.00 N ATOM 621 CA ALA A 40 7.239 -21.159 -10.852 1.00 0.00 C ATOM 622 C ALA A 40 7.550 -22.623 -11.143 1.00 0.00 C ATOM 623 O ALA A 40 8.709 -23.036 -11.121 1.00 0.00 O ATOM 624 CB ALA A 40 6.928 -20.966 -9.375 1.00 0.00 C ATOM 0 H ALA A 40 5.294 -20.430 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 40 8.120 -20.570 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.767 -21.323 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.763 -19.908 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.032 -21.529 -9.115 1.00 0.00 H new ATOM 630 N GLN A 41 6.508 -23.402 -11.414 1.00 0.00 N ATOM 631 CA GLN A 41 6.672 -24.821 -11.707 1.00 0.00 C ATOM 632 C GLN A 41 7.374 -25.023 -13.046 1.00 0.00 C ATOM 633 O GLN A 41 8.328 -25.794 -13.149 1.00 0.00 O ATOM 634 CB GLN A 41 5.311 -25.521 -11.720 1.00 0.00 C ATOM 635 CG GLN A 41 4.885 -26.048 -10.360 1.00 0.00 C ATOM 636 CD GLN A 41 3.391 -26.287 -10.269 1.00 0.00 C ATOM 637 OE1 GLN A 41 2.779 -26.827 -11.191 1.00 0.00 O ATOM 638 NE2 GLN A 41 2.793 -25.885 -9.153 1.00 0.00 N ATOM 0 H GLN A 41 5.542 -23.075 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 41 7.291 -25.259 -10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.556 -24.823 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.345 -26.350 -12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.411 -26.980 -10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.183 -25.337 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.338 -25.442 -8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.789 -26.020 -9.036 1.00 0.00 H new ATOM 647 N LYS A 42 6.895 -24.325 -14.070 1.00 0.00 N ATOM 648 CA LYS A 42 7.477 -24.426 -15.403 1.00 0.00 C ATOM 649 C LYS A 42 8.866 -23.798 -15.440 1.00 0.00 C ATOM 650 O LYS A 42 9.808 -24.382 -15.978 1.00 0.00 O ATOM 651 CB LYS A 42 6.570 -23.745 -16.431 1.00 0.00 C ATOM 652 CG LYS A 42 5.188 -24.368 -16.531 1.00 0.00 C ATOM 653 CD LYS A 42 4.280 -23.566 -17.448 1.00 0.00 C ATOM 654 CE LYS A 42 3.067 -24.376 -17.878 1.00 0.00 C ATOM 655 NZ LYS A 42 2.578 -23.971 -19.225 1.00 0.00 N ATOM 0 H LYS A 42 6.105 -23.683 -14.002 1.00 0.00 H new ATOM 0 HA LYS A 42 7.569 -25.483 -15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.466 -22.692 -16.170 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.049 -23.786 -17.409 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.274 -25.388 -16.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.742 -24.428 -15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.952 -22.661 -16.936 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.838 -23.249 -18.329 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.323 -25.435 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.268 -24.248 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.751 -24.547 -19.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.310 -22.966 -19.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.332 -24.117 -19.926 1.00 0.00 H new ATOM 669 N CYS A 43 8.987 -22.607 -14.864 1.00 0.00 N ATOM 670 CA CYS A 43 10.263 -21.900 -14.830 1.00 0.00 C ATOM 671 C CYS A 43 11.260 -22.621 -13.929 1.00 0.00 C ATOM 672 O CYS A 43 12.470 -22.548 -14.142 1.00 0.00 O ATOM 673 CB CYS A 43 10.061 -20.465 -14.343 1.00 0.00 C ATOM 674 SG CYS A 43 9.164 -19.409 -15.505 1.00 0.00 S ATOM 0 H CYS A 43 8.218 -22.111 -14.414 1.00 0.00 H new ATOM 0 HA CYS A 43 10.666 -21.879 -15.842 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.520 -20.487 -13.397 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.036 -20.020 -14.143 1.00 0.00 H new ATOM 0 HG CYS A 43 7.885 -19.581 -15.349 1.00 0.00 H new ATOM 680 N GLY A 44 10.743 -23.316 -12.920 1.00 0.00 N ATOM 681 CA GLY A 44 11.603 -24.038 -12.000 1.00 0.00 C ATOM 682 C GLY A 44 12.082 -23.172 -10.852 1.00 0.00 C ATOM 683 O GLY A 44 13.214 -23.314 -10.388 1.00 0.00 O ATOM 0 H GLY A 44 9.745 -23.392 -12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.063 -24.897 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.465 -24.426 -12.542 1.00 0.00 H new ATOM 687 N LEU A 45 11.220 -22.271 -10.394 1.00 0.00 N ATOM 688 CA LEU A 45 11.561 -21.377 -9.293 1.00 0.00 C ATOM 689 C LEU A 45 11.171 -21.989 -7.952 1.00 0.00 C ATOM 690 O LEU A 45 10.533 -23.041 -7.901 1.00 0.00 O ATOM 691 CB LEU A 45 10.864 -20.027 -9.472 1.00 0.00 C ATOM 692 CG LEU A 45 11.581 -19.015 -10.368 1.00 0.00 C ATOM 693 CD1 LEU A 45 11.859 -19.616 -11.736 1.00 0.00 C ATOM 694 CD2 LEU A 45 10.756 -17.743 -10.500 1.00 0.00 C ATOM 0 H LEU A 45 10.280 -22.140 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 45 12.641 -21.226 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.870 -20.205 -9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.727 -19.578 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 45 12.535 -18.760 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.369 -18.882 -12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.490 -20.498 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.918 -19.900 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.281 -17.034 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.787 -17.981 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.608 -17.301 -9.515 1.00 0.00 H new ATOM 706 N SER A 46 11.556 -21.323 -6.868 1.00 0.00 N ATOM 707 CA SER A 46 11.248 -21.803 -5.526 1.00 0.00 C ATOM 708 C SER A 46 9.986 -21.136 -4.987 1.00 0.00 C ATOM 709 O SER A 46 9.996 -19.956 -4.636 1.00 0.00 O ATOM 710 CB SER A 46 12.423 -21.535 -4.584 1.00 0.00 C ATOM 711 OG SER A 46 13.655 -21.567 -5.282 1.00 0.00 O ATOM 0 H SER A 46 12.082 -20.449 -6.893 1.00 0.00 H new ATOM 0 HA SER A 46 11.074 -22.878 -5.582 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.297 -20.563 -4.108 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.433 -22.280 -3.789 1.00 0.00 H new ATOM 0 HG SER A 46 14.389 -21.391 -4.657 1.00 0.00 H new ATOM 717 N TYR A 47 8.901 -21.900 -4.926 1.00 0.00 N ATOM 718 CA TYR A 47 7.630 -21.384 -4.432 1.00 0.00 C ATOM 719 C TYR A 47 7.768 -20.874 -3.001 1.00 0.00 C ATOM 720 O TYR A 47 7.018 -20.001 -2.565 1.00 0.00 O ATOM 721 CB TYR A 47 6.555 -22.470 -4.498 1.00 0.00 C ATOM 722 CG TYR A 47 5.151 -21.945 -4.301 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.432 -21.411 -5.364 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.543 -21.981 -3.052 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.149 -20.930 -5.188 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.260 -21.503 -2.868 1.00 0.00 C ATOM 727 CZ TYR A 47 2.568 -20.978 -3.939 1.00 0.00 C ATOM 728 OH TYR A 47 1.290 -20.500 -3.759 1.00 0.00 O ATOM 0 H TYR A 47 8.876 -22.879 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 47 7.333 -20.550 -5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.615 -22.970 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.763 -23.222 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.884 -21.371 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.083 -22.390 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.604 -20.518 -6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.802 -21.540 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 47 1.029 -20.609 -2.821 1.00 0.00 H new ATOM 738 N LYS A 48 8.732 -21.427 -2.274 1.00 0.00 N ATOM 739 CA LYS A 48 8.972 -21.029 -0.891 1.00 0.00 C ATOM 740 C LYS A 48 9.242 -19.531 -0.796 1.00 0.00 C ATOM 741 O LYS A 48 8.807 -18.872 0.148 1.00 0.00 O ATOM 742 CB LYS A 48 10.155 -21.809 -0.313 1.00 0.00 C ATOM 743 CG LYS A 48 11.434 -21.661 -1.119 1.00 0.00 C ATOM 744 CD LYS A 48 12.317 -20.555 -0.565 1.00 0.00 C ATOM 745 CE LYS A 48 13.273 -21.083 0.494 1.00 0.00 C ATOM 746 NZ LYS A 48 14.382 -21.876 -0.106 1.00 0.00 N ATOM 0 H LYS A 48 9.361 -22.153 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 48 8.077 -21.257 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.338 -21.472 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.891 -22.865 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.981 -22.603 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.187 -21.445 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.886 -20.101 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.694 -19.771 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.688 -20.247 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.724 -21.704 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.131 -22.016 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.020 -22.801 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.771 -21.365 -0.924 1.00 0.00 H new ATOM 760 N ALA A 49 9.961 -18.999 -1.779 1.00 0.00 N ATOM 761 CA ALA A 49 10.284 -17.578 -1.807 1.00 0.00 C ATOM 762 C ALA A 49 9.019 -16.727 -1.827 1.00 0.00 C ATOM 763 O ALA A 49 8.997 -15.618 -1.292 1.00 0.00 O ATOM 764 CB ALA A 49 11.157 -17.259 -3.012 1.00 0.00 C ATOM 0 H ALA A 49 10.331 -19.531 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 49 10.836 -17.338 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.391 -16.194 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.082 -17.833 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.625 -17.521 -3.926 1.00 0.00 H new ATOM 770 N LEU A 50 7.969 -17.252 -2.447 1.00 0.00 N ATOM 771 CA LEU A 50 6.699 -16.540 -2.538 1.00 0.00 C ATOM 772 C LEU A 50 5.976 -16.543 -1.195 1.00 0.00 C ATOM 773 O LEU A 50 5.335 -15.561 -0.821 1.00 0.00 O ATOM 774 CB LEU A 50 5.811 -17.175 -3.609 1.00 0.00 C ATOM 775 CG LEU A 50 4.345 -16.737 -3.612 1.00 0.00 C ATOM 776 CD1 LEU A 50 4.226 -15.274 -4.010 1.00 0.00 C ATOM 777 CD2 LEU A 50 3.529 -17.615 -4.549 1.00 0.00 C ATOM 0 H LEU A 50 7.971 -18.169 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 50 6.909 -15.507 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.238 -16.951 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.846 -18.258 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 50 3.949 -16.851 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.176 -14.980 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.778 -14.658 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.639 -15.134 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.489 -17.290 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.925 -17.533 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.588 -18.652 -4.219 1.00 0.00 H new ATOM 789 N VAL A 51 6.085 -17.653 -0.472 1.00 0.00 N ATOM 790 CA VAL A 51 5.445 -17.783 0.832 1.00 0.00 C ATOM 791 C VAL A 51 5.963 -16.730 1.806 1.00 0.00 C ATOM 792 O VAL A 51 5.198 -16.155 2.579 1.00 0.00 O ATOM 793 CB VAL A 51 5.677 -19.181 1.434 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.878 -19.349 2.718 1.00 0.00 C ATOM 795 CG2 VAL A 51 5.314 -20.262 0.426 1.00 0.00 C ATOM 0 H VAL A 51 6.611 -18.476 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 51 4.376 -17.635 0.676 1.00 0.00 H new ATOM 0 HB VAL A 51 6.735 -19.282 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.055 -20.343 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.190 -18.596 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.816 -19.228 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.484 -21.244 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.264 -20.165 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.934 -20.153 -0.464 1.00 0.00 H new ATOM 805 N ALA A 52 7.268 -16.483 1.762 1.00 0.00 N ATOM 806 CA ALA A 52 7.889 -15.497 2.638 1.00 0.00 C ATOM 807 C ALA A 52 7.376 -14.093 2.336 1.00 0.00 C ATOM 808 O ALA A 52 7.032 -13.337 3.245 1.00 0.00 O ATOM 809 CB ALA A 52 9.403 -15.549 2.502 1.00 0.00 C ATOM 0 H ALA A 52 7.916 -16.952 1.129 1.00 0.00 H new ATOM 0 HA ALA A 52 7.619 -15.740 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.853 -14.807 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.759 -16.542 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.683 -15.335 1.471 1.00 0.00 H new ATOM 815 N LEU A 53 7.328 -13.750 1.053 1.00 0.00 N ATOM 816 CA LEU A 53 6.858 -12.435 0.630 1.00 0.00 C ATOM 817 C LEU A 53 5.369 -12.271 0.918 1.00 0.00 C ATOM 818 O LEU A 53 4.941 -11.258 1.472 1.00 0.00 O ATOM 819 CB LEU A 53 7.126 -12.231 -0.862 1.00 0.00 C ATOM 820 CG LEU A 53 8.597 -12.206 -1.282 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.739 -12.581 -2.748 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.203 -10.836 -1.018 1.00 0.00 C ATOM 0 H LEU A 53 7.609 -14.364 0.288 1.00 0.00 H new ATOM 0 HA LEU A 53 7.404 -11.681 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.625 -13.027 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.665 -11.292 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 53 9.138 -12.941 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.792 -12.558 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.343 -13.584 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.184 -11.870 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.250 -10.836 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.660 -10.082 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.135 -10.607 0.045 1.00 0.00 H new ATOM 834 N ARG A 54 4.584 -13.275 0.538 1.00 0.00 N ATOM 835 CA ARG A 54 3.143 -13.242 0.756 1.00 0.00 C ATOM 836 C ARG A 54 2.820 -13.154 2.245 1.00 0.00 C ATOM 837 O ARG A 54 1.938 -12.399 2.655 1.00 0.00 O ATOM 838 CB ARG A 54 2.486 -14.485 0.154 1.00 0.00 C ATOM 839 CG ARG A 54 1.130 -14.213 -0.477 1.00 0.00 C ATOM 840 CD ARG A 54 0.436 -15.503 -0.883 1.00 0.00 C ATOM 841 NE ARG A 54 0.351 -16.451 0.225 1.00 0.00 N ATOM 842 CZ ARG A 54 -0.562 -16.377 1.188 1.00 0.00 C ATOM 843 NH1 ARG A 54 -1.463 -15.404 1.178 1.00 0.00 N ATOM 844 NH2 ARG A 54 -0.574 -17.277 2.163 1.00 0.00 N ATOM 0 H ARG A 54 4.922 -14.120 0.078 1.00 0.00 H new ATOM 0 HA ARG A 54 2.747 -12.355 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.150 -14.907 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.370 -15.238 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.503 -13.667 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.256 -13.575 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.567 -15.277 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.977 -15.961 -1.711 1.00 0.00 H new ATOM 0 HE ARG A 54 1.030 -17.212 0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.456 -14.710 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.163 -15.349 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.118 -18.026 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.275 -17.219 2.902 1.00 0.00 H new ATOM 858 N ARG A 55 3.539 -13.930 3.048 1.00 0.00 N ATOM 859 CA ARG A 55 3.328 -13.941 4.491 1.00 0.00 C ATOM 860 C ARG A 55 3.571 -12.557 5.086 1.00 0.00 C ATOM 861 O ARG A 55 2.776 -12.067 5.888 1.00 0.00 O ATOM 862 CB ARG A 55 4.252 -14.963 5.155 1.00 0.00 C ATOM 863 CG ARG A 55 4.024 -15.108 6.651 1.00 0.00 C ATOM 864 CD ARG A 55 4.334 -16.519 7.127 1.00 0.00 C ATOM 865 NE ARG A 55 5.759 -16.710 7.381 1.00 0.00 N ATOM 866 CZ ARG A 55 6.264 -17.795 7.959 1.00 0.00 C ATOM 867 NH1 ARG A 55 5.463 -18.780 8.341 1.00 0.00 N ATOM 868 NH2 ARG A 55 7.572 -17.896 8.155 1.00 0.00 N ATOM 0 H ARG A 55 4.273 -14.560 2.724 1.00 0.00 H new ATOM 0 HA ARG A 55 2.292 -14.222 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.109 -15.933 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.288 -14.671 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.652 -14.396 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.989 -14.862 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.772 -16.726 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.000 -17.236 6.377 1.00 0.00 H new ATOM 0 HE ARG A 55 6.402 -15.970 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.457 -18.706 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.853 -19.612 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.191 -17.140 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.958 -18.729 8.599 1.00 0.00 H new ATOM 882 N VAL A 56 4.675 -11.933 4.689 1.00 0.00 N ATOM 883 CA VAL A 56 5.022 -10.606 5.182 1.00 0.00 C ATOM 884 C VAL A 56 4.079 -9.547 4.623 1.00 0.00 C ATOM 885 O VAL A 56 3.689 -8.614 5.326 1.00 0.00 O ATOM 886 CB VAL A 56 6.471 -10.232 4.815 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.833 -8.871 5.389 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.437 -11.300 5.305 1.00 0.00 C ATOM 0 H VAL A 56 5.345 -12.325 4.027 1.00 0.00 H new ATOM 0 HA VAL A 56 4.926 -10.637 6.267 1.00 0.00 H new ATOM 0 HB VAL A 56 6.549 -10.174 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.860 -8.624 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.160 -8.115 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.739 -8.897 6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.456 -11.020 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.359 -11.392 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.190 -12.255 4.841 1.00 0.00 H new ATOM 898 N LEU A 57 3.714 -9.698 3.355 1.00 0.00 N ATOM 899 CA LEU A 57 2.814 -8.755 2.700 1.00 0.00 C ATOM 900 C LEU A 57 1.427 -8.797 3.332 1.00 0.00 C ATOM 901 O LEU A 57 0.843 -7.759 3.646 1.00 0.00 O ATOM 902 CB LEU A 57 2.717 -9.066 1.206 1.00 0.00 C ATOM 903 CG LEU A 57 1.403 -8.681 0.524 1.00 0.00 C ATOM 904 CD1 LEU A 57 1.660 -8.189 -0.892 1.00 0.00 C ATOM 905 CD2 LEU A 57 0.442 -9.861 0.514 1.00 0.00 C ATOM 0 H LEU A 57 4.027 -10.465 2.760 1.00 0.00 H new ATOM 0 HA LEU A 57 3.221 -7.752 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.532 -8.554 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.876 -10.135 1.067 1.00 0.00 H new ATOM 0 HG LEU A 57 0.946 -7.870 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.714 -7.920 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.311 -7.315 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.140 -8.979 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.487 -9.569 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.892 -10.692 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.232 -10.168 1.539 1.00 0.00 H new ATOM 917 N LEU A 58 0.904 -10.005 3.517 1.00 0.00 N ATOM 918 CA LEU A 58 -0.415 -10.184 4.114 1.00 0.00 C ATOM 919 C LEU A 58 -0.384 -9.870 5.606 1.00 0.00 C ATOM 920 O LEU A 58 -1.360 -9.372 6.166 1.00 0.00 O ATOM 921 CB LEU A 58 -0.907 -11.615 3.892 1.00 0.00 C ATOM 922 CG LEU A 58 -0.137 -12.711 4.629 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.686 -12.896 6.035 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.199 -14.020 3.854 1.00 0.00 C ATOM 0 H LEU A 58 1.373 -10.874 3.262 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.103 -9.491 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.953 -11.669 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.871 -11.829 2.824 1.00 0.00 H new ATOM 0 HG LEU A 58 0.907 -12.406 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.126 -13.680 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.589 -11.962 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.737 -13.178 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.354 -14.789 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.238 -14.330 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.243 -13.880 2.867 1.00 0.00 H new ATOM 936 N ALA A 59 0.744 -10.164 6.244 1.00 0.00 N ATOM 937 CA ALA A 59 0.903 -9.910 7.671 1.00 0.00 C ATOM 938 C ALA A 59 0.662 -8.440 7.997 1.00 0.00 C ATOM 939 O ALA A 59 -0.048 -8.114 8.948 1.00 0.00 O ATOM 940 CB ALA A 59 2.290 -10.334 8.131 1.00 0.00 C ATOM 0 H ALA A 59 1.561 -10.578 5.796 1.00 0.00 H new ATOM 0 HA ALA A 59 0.159 -10.500 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.395 -10.139 9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.426 -11.399 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.044 -9.769 7.583 1.00 0.00 H new ATOM 946 N GLN A 60 1.258 -7.557 7.202 1.00 0.00 N ATOM 947 CA GLN A 60 1.109 -6.121 7.408 1.00 0.00 C ATOM 948 C GLN A 60 -0.309 -5.668 7.075 1.00 0.00 C ATOM 949 O GLN A 60 -0.905 -4.872 7.801 1.00 0.00 O ATOM 950 CB GLN A 60 2.117 -5.354 6.551 1.00 0.00 C ATOM 951 CG GLN A 60 3.563 -5.725 6.834 1.00 0.00 C ATOM 952 CD GLN A 60 4.170 -4.898 7.951 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.582 -5.432 8.981 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.227 -3.586 7.753 1.00 0.00 N ATOM 0 H GLN A 60 1.848 -7.811 6.410 1.00 0.00 H new ATOM 0 HA GLN A 60 1.301 -5.908 8.460 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.902 -5.540 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.985 -4.285 6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.618 -6.781 7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.153 -5.592 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.874 -3.186 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.624 -2.979 8.470 1.00 0.00 H new ATOM 963 N PHE A 61 -0.844 -6.180 5.971 1.00 0.00 N ATOM 964 CA PHE A 61 -2.192 -5.827 5.540 1.00 0.00 C ATOM 965 C PHE A 61 -3.228 -6.289 6.561 1.00 0.00 C ATOM 966 O PHE A 61 -4.306 -5.707 6.675 1.00 0.00 O ATOM 967 CB PHE A 61 -2.493 -6.447 4.174 1.00 0.00 C ATOM 968 CG PHE A 61 -1.935 -5.660 3.023 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.208 -4.308 2.895 1.00 0.00 C ATOM 970 CD2 PHE A 61 -1.139 -6.273 2.069 1.00 0.00 C ATOM 971 CE1 PHE A 61 -1.697 -3.582 1.835 1.00 0.00 C ATOM 972 CE2 PHE A 61 -0.625 -5.552 1.008 1.00 0.00 C ATOM 973 CZ PHE A 61 -0.903 -4.204 0.892 1.00 0.00 C ATOM 0 H PHE A 61 -0.365 -6.840 5.359 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.248 -4.742 5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.085 -7.457 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.573 -6.535 4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.827 -3.816 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.918 -7.327 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.919 -2.529 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.007 -6.042 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.500 -3.638 0.065 1.00 0.00 H new