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 16 MET CE :methyl -117:sc= -0.049 (180deg=-0.404) USER MOD Set 1.2: A 43 CYS SG : rot -130:sc= -0.188 USER MOD Single : A 9 CYS SG : rot 35:sc= -0.763 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0425 K(o=-0.042,f=-1.2) 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+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 5:sc= 0.763! USER MOD Single : A 41 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.28) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -121:sc= 0 (180deg=-1.34!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.976 -5.316 -9.412 1.00 0.00 N ATOM 42 CA LEU A 4 7.868 -6.420 -9.751 1.00 0.00 C ATOM 43 C LEU A 4 9.126 -5.909 -10.445 1.00 0.00 C ATOM 44 O LEU A 4 9.134 -5.694 -11.657 1.00 0.00 O ATOM 45 CB LEU A 4 7.148 -7.426 -10.650 1.00 0.00 C ATOM 46 CG LEU A 4 5.935 -8.126 -10.037 1.00 0.00 C ATOM 47 CD1 LEU A 4 4.908 -8.453 -11.110 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.363 -9.389 -9.303 1.00 0.00 C ATOM 0 HA LEU A 4 8.162 -6.915 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.826 -6.909 -11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.865 -8.187 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 4 5.475 -7.449 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.052 -8.951 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.579 -7.532 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.356 -9.111 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.487 -9.874 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.848 -10.070 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.061 -9.129 -8.507 1.00 0.00 H new ATOM 60 N ARG A 5 10.189 -5.719 -9.669 1.00 0.00 N ATOM 61 CA ARG A 5 11.453 -5.235 -10.210 1.00 0.00 C ATOM 62 C ARG A 5 12.619 -6.083 -9.710 1.00 0.00 C ATOM 63 O ARG A 5 12.584 -6.610 -8.598 1.00 0.00 O ATOM 64 CB ARG A 5 11.670 -3.771 -9.824 1.00 0.00 C ATOM 65 CG ARG A 5 11.550 -3.511 -8.331 1.00 0.00 C ATOM 66 CD ARG A 5 12.691 -2.643 -7.823 1.00 0.00 C ATOM 67 NE ARG A 5 12.233 -1.648 -6.856 1.00 0.00 N ATOM 68 CZ ARG A 5 11.488 -0.598 -7.180 1.00 0.00 C ATOM 69 NH1 ARG A 5 11.117 -0.406 -8.439 1.00 0.00 N ATOM 70 NH2 ARG A 5 11.111 0.264 -6.244 1.00 0.00 N ATOM 0 H ARG A 5 10.199 -5.893 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 5 11.409 -5.314 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.658 -3.458 -10.161 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.943 -3.153 -10.351 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.598 -3.023 -8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.546 -4.460 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.450 -3.275 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.166 -2.139 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 5 12.500 -1.767 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.404 -1.066 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.545 0.402 -8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.394 0.120 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.539 1.070 -6.494 1.00 0.00 H new ATOM 84 N VAL A 6 13.650 -6.210 -10.539 1.00 0.00 N ATOM 85 CA VAL A 6 14.827 -6.993 -10.181 1.00 0.00 C ATOM 86 C VAL A 6 15.697 -6.248 -9.175 1.00 0.00 C ATOM 87 O VAL A 6 15.974 -5.060 -9.337 1.00 0.00 O ATOM 88 CB VAL A 6 15.673 -7.334 -11.422 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.097 -6.064 -12.144 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.886 -8.163 -11.027 1.00 0.00 C ATOM 0 H VAL A 6 13.694 -5.781 -11.463 1.00 0.00 H new ATOM 0 HA VAL A 6 14.467 -7.918 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 6 15.064 -7.926 -12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.694 -6.324 -13.018 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.212 -5.512 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.690 -5.444 -11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.473 -8.395 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.499 -7.599 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.556 -9.090 -10.558 1.00 0.00 H new ATOM 100 N GLY A 7 16.127 -6.955 -8.134 1.00 0.00 N ATOM 101 CA GLY A 7 16.962 -6.344 -7.116 1.00 0.00 C ATOM 102 C GLY A 7 16.260 -6.238 -5.777 1.00 0.00 C ATOM 103 O GLY A 7 16.906 -6.090 -4.739 1.00 0.00 O ATOM 0 H GLY A 7 15.912 -7.940 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.874 -6.929 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.262 -5.349 -7.445 1.00 0.00 H new ATOM 107 N LEU A 8 14.934 -6.311 -5.798 1.00 0.00 N ATOM 108 CA LEU A 8 14.142 -6.220 -4.576 1.00 0.00 C ATOM 109 C LEU A 8 14.373 -7.437 -3.686 1.00 0.00 C ATOM 110 O LEU A 8 14.300 -7.345 -2.460 1.00 0.00 O ATOM 111 CB LEU A 8 12.656 -6.098 -4.916 1.00 0.00 C ATOM 112 CG LEU A 8 11.934 -7.403 -5.254 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.309 -8.006 -4.005 1.00 0.00 C ATOM 114 CD2 LEU A 8 10.876 -7.166 -6.321 1.00 0.00 C ATOM 0 H LEU A 8 14.384 -6.433 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 8 14.458 -5.330 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.148 -5.634 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.552 -5.419 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 8 12.665 -8.110 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.800 -8.934 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.088 -8.213 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.590 -7.304 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.372 -8.105 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.147 -6.443 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.350 -6.780 -7.224 1.00 0.00 H new ATOM 126 N CYS A 9 14.655 -8.576 -4.311 1.00 0.00 N ATOM 127 CA CYS A 9 14.899 -9.811 -3.575 1.00 0.00 C ATOM 128 C CYS A 9 15.731 -10.783 -4.406 1.00 0.00 C ATOM 129 O CYS A 9 15.822 -10.673 -5.629 1.00 0.00 O ATOM 130 CB CYS A 9 13.573 -10.465 -3.181 1.00 0.00 C ATOM 131 SG CYS A 9 12.979 -9.995 -1.539 1.00 0.00 S ATOM 0 H CYS A 9 14.720 -8.669 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 9 15.456 -9.563 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.816 -10.200 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.689 -11.548 -3.218 1.00 0.00 H new ATOM 0 HG CYS A 9 13.293 -8.756 -1.302 1.00 0.00 H new ATOM 137 N PRO A 10 16.357 -11.756 -3.727 1.00 0.00 N ATOM 138 CA PRO A 10 17.194 -12.765 -4.382 1.00 0.00 C ATOM 139 C PRO A 10 16.377 -13.741 -5.221 1.00 0.00 C ATOM 140 O PRO A 10 16.910 -14.417 -6.100 1.00 0.00 O ATOM 141 CB PRO A 10 17.856 -13.493 -3.208 1.00 0.00 C ATOM 142 CG PRO A 10 16.919 -13.299 -2.066 1.00 0.00 C ATOM 143 CD PRO A 10 16.294 -11.947 -2.268 1.00 0.00 C ATOM 0 HA PRO A 10 17.903 -12.317 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.999 -14.551 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.840 -13.078 -2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.160 -14.081 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.449 -13.346 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.267 -11.921 -1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.841 -11.168 -1.737 1.00 0.00 H new ATOM 151 N GLY A 11 15.078 -13.809 -4.945 1.00 0.00 N ATOM 152 CA GLY A 11 14.208 -14.705 -5.684 1.00 0.00 C ATOM 153 C GLY A 11 13.906 -14.199 -7.081 1.00 0.00 C ATOM 154 O GLY A 11 14.162 -14.889 -8.068 1.00 0.00 O ATOM 0 H GLY A 11 14.613 -13.259 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.675 -15.688 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.274 -14.832 -5.137 1.00 0.00 H new ATOM 158 N LEU A 12 13.360 -12.991 -7.165 1.00 0.00 N ATOM 159 CA LEU A 12 13.021 -12.393 -8.452 1.00 0.00 C ATOM 160 C LEU A 12 14.280 -12.007 -9.221 1.00 0.00 C ATOM 161 O LEU A 12 15.193 -11.390 -8.671 1.00 0.00 O ATOM 162 CB LEU A 12 12.137 -11.161 -8.247 1.00 0.00 C ATOM 163 CG LEU A 12 10.635 -11.425 -8.130 1.00 0.00 C ATOM 164 CD1 LEU A 12 10.089 -11.986 -9.433 1.00 0.00 C ATOM 165 CD2 LEU A 12 10.349 -12.374 -6.976 1.00 0.00 C ATOM 0 H LEU A 12 13.143 -12.406 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 12 12.473 -13.133 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.467 -10.648 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.302 -10.478 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 12 10.133 -10.479 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.019 -12.168 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.261 -11.271 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.595 -12.923 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.276 -12.551 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.862 -13.320 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.704 -11.932 -6.045 1.00 0.00 H new ATOM 177 N THR A 13 14.322 -12.372 -10.499 1.00 0.00 N ATOM 178 CA THR A 13 15.468 -12.063 -11.345 1.00 0.00 C ATOM 179 C THR A 13 15.072 -11.140 -12.491 1.00 0.00 C ATOM 180 O THR A 13 13.890 -10.979 -12.790 1.00 0.00 O ATOM 181 CB THR A 13 16.098 -13.343 -11.926 1.00 0.00 C ATOM 182 OG1 THR A 13 15.079 -14.180 -12.486 1.00 0.00 O ATOM 183 CG2 THR A 13 16.857 -14.109 -10.853 1.00 0.00 C ATOM 0 H THR A 13 13.575 -12.882 -10.971 1.00 0.00 H new ATOM 0 HA THR A 13 16.201 -11.560 -10.714 1.00 0.00 H new ATOM 0 HB THR A 13 16.800 -13.053 -12.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.488 -14.991 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.293 -15.009 -11.288 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.650 -13.480 -10.449 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.172 -14.388 -10.052 1.00 0.00 H new ATOM 191 N GLU A 14 16.070 -10.536 -13.129 1.00 0.00 N ATOM 192 CA GLU A 14 15.824 -9.627 -14.243 1.00 0.00 C ATOM 193 C GLU A 14 15.072 -10.335 -15.367 1.00 0.00 C ATOM 194 O GLU A 14 14.343 -9.705 -16.132 1.00 0.00 O ATOM 195 CB GLU A 14 17.145 -9.066 -14.774 1.00 0.00 C ATOM 196 CG GLU A 14 16.975 -8.115 -15.946 1.00 0.00 C ATOM 197 CD GLU A 14 16.466 -6.751 -15.522 1.00 0.00 C ATOM 198 OE1 GLU A 14 15.231 -6.569 -15.472 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.301 -5.866 -15.241 1.00 0.00 O ATOM 0 H GLU A 14 17.055 -10.659 -12.894 1.00 0.00 H new ATOM 0 HA GLU A 14 15.208 -8.805 -13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.660 -8.545 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.785 -9.894 -15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.931 -7.999 -16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.281 -8.550 -16.665 1.00 0.00 H new ATOM 206 N GLU A 15 15.256 -11.648 -15.459 1.00 0.00 N ATOM 207 CA GLU A 15 14.596 -12.441 -16.489 1.00 0.00 C ATOM 208 C GLU A 15 13.084 -12.445 -16.287 1.00 0.00 C ATOM 209 O GLU A 15 12.320 -12.287 -17.239 1.00 0.00 O ATOM 210 CB GLU A 15 15.127 -13.876 -16.478 1.00 0.00 C ATOM 211 CG GLU A 15 16.293 -14.101 -17.427 1.00 0.00 C ATOM 212 CD GLU A 15 15.875 -14.066 -18.884 1.00 0.00 C ATOM 213 OE1 GLU A 15 15.461 -15.121 -19.408 1.00 0.00 O ATOM 214 OE2 GLU A 15 15.961 -12.983 -19.499 1.00 0.00 O ATOM 0 H GLU A 15 15.856 -12.185 -14.833 1.00 0.00 H new ATOM 0 HA GLU A 15 14.815 -11.988 -17.456 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.439 -14.131 -15.465 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.317 -14.556 -16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.051 -13.338 -17.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.754 -15.064 -17.208 1.00 0.00 H new ATOM 221 N MET A 16 12.660 -12.628 -15.041 1.00 0.00 N ATOM 222 CA MET A 16 11.239 -12.653 -14.714 1.00 0.00 C ATOM 223 C MET A 16 10.582 -11.316 -15.044 1.00 0.00 C ATOM 224 O MET A 16 9.403 -11.264 -15.396 1.00 0.00 O ATOM 225 CB MET A 16 11.040 -12.980 -13.233 1.00 0.00 C ATOM 226 CG MET A 16 11.405 -14.411 -12.872 1.00 0.00 C ATOM 227 SD MET A 16 10.936 -14.844 -11.186 1.00 0.00 S ATOM 228 CE MET A 16 9.153 -14.913 -11.338 1.00 0.00 C ATOM 0 H MET A 16 13.279 -12.761 -14.242 1.00 0.00 H new ATOM 0 HA MET A 16 10.767 -13.429 -15.316 1.00 0.00 H new ATOM 0 HB2 MET A 16 11.644 -12.298 -12.634 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.998 -12.801 -12.967 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.916 -15.093 -13.567 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.479 -14.549 -12.993 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.704 -14.149 -10.703 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.869 -14.736 -12.375 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.799 -15.896 -11.028 1.00 0.00 H new ATOM 238 N ILE A 17 11.351 -10.239 -14.927 1.00 0.00 N ATOM 239 CA ILE A 17 10.843 -8.903 -15.214 1.00 0.00 C ATOM 240 C ILE A 17 10.403 -8.783 -16.669 1.00 0.00 C ATOM 241 O ILE A 17 9.308 -8.301 -16.958 1.00 0.00 O ATOM 242 CB ILE A 17 11.901 -7.823 -14.919 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.503 -8.035 -13.528 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.287 -6.436 -15.031 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.470 -8.080 -12.423 1.00 0.00 C ATOM 0 H ILE A 17 12.328 -10.265 -14.635 1.00 0.00 H new ATOM 0 HA ILE A 17 9.983 -8.746 -14.563 1.00 0.00 H new ATOM 0 HB ILE A 17 12.700 -7.906 -15.656 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.069 -8.967 -13.524 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.210 -7.232 -13.321 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.047 -5.684 -14.820 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.901 -6.289 -16.040 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.472 -6.340 -14.314 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.968 -8.233 -11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.920 -7.139 -12.400 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.777 -8.901 -12.606 1.00 0.00 H new ATOM 257 N GLN A 18 11.263 -9.227 -17.580 1.00 0.00 N ATOM 258 CA GLN A 18 10.961 -9.170 -19.006 1.00 0.00 C ATOM 259 C GLN A 18 9.795 -10.089 -19.352 1.00 0.00 C ATOM 260 O GLN A 18 8.927 -9.734 -20.152 1.00 0.00 O ATOM 261 CB GLN A 18 12.193 -9.558 -19.825 1.00 0.00 C ATOM 262 CG GLN A 18 12.191 -8.988 -21.234 1.00 0.00 C ATOM 263 CD GLN A 18 12.984 -9.837 -22.208 1.00 0.00 C ATOM 264 OE1 GLN A 18 13.713 -10.745 -21.808 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.845 -9.546 -23.496 1.00 0.00 N ATOM 0 H GLN A 18 12.173 -9.630 -17.357 1.00 0.00 H new ATOM 0 HA GLN A 18 10.678 -8.146 -19.252 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.087 -9.215 -19.305 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.254 -10.645 -19.882 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.163 -8.903 -21.586 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.606 -7.980 -21.215 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.230 -8.785 -23.783 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.353 -10.084 -24.198 1.00 0.00 H new ATOM 274 N LEU A 19 9.779 -11.271 -18.747 1.00 0.00 N ATOM 275 CA LEU A 19 8.719 -12.243 -18.992 1.00 0.00 C ATOM 276 C LEU A 19 7.367 -11.698 -18.541 1.00 0.00 C ATOM 277 O LEU A 19 6.348 -11.916 -19.197 1.00 0.00 O ATOM 278 CB LEU A 19 9.023 -13.553 -18.263 1.00 0.00 C ATOM 279 CG LEU A 19 10.265 -14.310 -18.733 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.845 -15.141 -17.599 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.932 -15.193 -19.927 1.00 0.00 C ATOM 0 H LEU A 19 10.489 -11.580 -18.083 1.00 0.00 H new ATOM 0 HA LEU A 19 8.674 -12.434 -20.064 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.134 -13.337 -17.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.160 -14.211 -18.366 1.00 0.00 H new ATOM 0 HG LEU A 19 11.015 -13.582 -19.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.728 -15.673 -17.953 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.122 -14.486 -16.773 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.101 -15.861 -17.258 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.828 -15.724 -20.248 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.165 -15.914 -19.644 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.564 -14.574 -20.746 1.00 0.00 H new ATOM 293 N LEU A 20 7.366 -10.988 -17.418 1.00 0.00 N ATOM 294 CA LEU A 20 6.140 -10.410 -16.880 1.00 0.00 C ATOM 295 C LEU A 20 5.668 -9.239 -17.736 1.00 0.00 C ATOM 296 O LEU A 20 4.480 -9.114 -18.033 1.00 0.00 O ATOM 297 CB LEU A 20 6.361 -9.946 -15.439 1.00 0.00 C ATOM 298 CG LEU A 20 6.663 -11.044 -14.419 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.538 -10.505 -13.298 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.372 -11.623 -13.859 1.00 0.00 C ATOM 0 H LEU A 20 8.200 -10.799 -16.863 1.00 0.00 H new ATOM 0 HA LEU A 20 5.369 -11.180 -16.893 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.186 -9.233 -15.430 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.471 -9.408 -15.111 1.00 0.00 H new ATOM 0 HG LEU A 20 7.206 -11.843 -14.924 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.743 -11.301 -12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.477 -10.140 -13.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.022 -9.687 -12.795 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.607 -12.403 -13.135 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.801 -10.834 -13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.782 -12.048 -14.671 1.00 0.00 H new ATOM 312 N ARG A 21 6.607 -8.386 -18.132 1.00 0.00 N ATOM 313 CA ARG A 21 6.288 -7.226 -18.955 1.00 0.00 C ATOM 314 C ARG A 21 5.848 -7.656 -20.352 1.00 0.00 C ATOM 315 O ARG A 21 5.075 -6.960 -21.011 1.00 0.00 O ATOM 316 CB ARG A 21 7.498 -6.295 -19.054 1.00 0.00 C ATOM 317 CG ARG A 21 7.128 -4.828 -19.192 1.00 0.00 C ATOM 318 CD ARG A 21 7.086 -4.398 -20.650 1.00 0.00 C ATOM 319 NE ARG A 21 8.385 -4.545 -21.301 1.00 0.00 N ATOM 320 CZ ARG A 21 8.631 -4.158 -22.548 1.00 0.00 C ATOM 321 NH1 ARG A 21 7.670 -3.604 -23.274 1.00 0.00 N ATOM 322 NH2 ARG A 21 9.839 -4.325 -23.070 1.00 0.00 N ATOM 0 H ARG A 21 7.595 -8.477 -17.896 1.00 0.00 H new ATOM 0 HA ARG A 21 5.465 -6.691 -18.481 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.118 -6.423 -18.166 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.104 -6.590 -19.911 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.156 -4.652 -18.732 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.851 -4.217 -18.652 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.344 -4.993 -21.182 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.765 -3.358 -20.712 1.00 0.00 H new ATOM 0 HE ARG A 21 9.145 -4.968 -20.769 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.740 -3.474 -22.875 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.861 -3.307 -24.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.580 -4.751 -22.514 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.026 -4.027 -24.027 1.00 0.00 H new ATOM 336 N SER A 22 6.346 -8.805 -20.796 1.00 0.00 N ATOM 337 CA SER A 22 6.008 -9.325 -22.116 1.00 0.00 C ATOM 338 C SER A 22 4.511 -9.604 -22.223 1.00 0.00 C ATOM 339 O SER A 22 3.902 -9.388 -23.271 1.00 0.00 O ATOM 340 CB SER A 22 6.798 -10.604 -22.401 1.00 0.00 C ATOM 341 OG SER A 22 6.532 -11.088 -23.706 1.00 0.00 O ATOM 0 H SER A 22 6.985 -9.394 -20.262 1.00 0.00 H new ATOM 0 HA SER A 22 6.273 -8.570 -22.856 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.865 -10.408 -22.293 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.538 -11.367 -21.667 1.00 0.00 H new ATOM 0 HG SER A 22 7.050 -11.905 -23.864 1.00 0.00 H new ATOM 347 N HIS A 23 3.926 -10.084 -21.131 1.00 0.00 N ATOM 348 CA HIS A 23 2.500 -10.392 -21.101 1.00 0.00 C ATOM 349 C HIS A 23 1.713 -9.259 -20.450 1.00 0.00 C ATOM 350 O HIS A 23 0.581 -9.451 -20.005 1.00 0.00 O ATOM 351 CB HIS A 23 2.255 -11.698 -20.345 1.00 0.00 C ATOM 352 CG HIS A 23 1.138 -12.519 -20.913 1.00 0.00 C ATOM 353 ND1 HIS A 23 -0.110 -12.597 -20.330 1.00 0.00 N ATOM 354 CD2 HIS A 23 1.085 -13.298 -22.018 1.00 0.00 C ATOM 355 CE1 HIS A 23 -0.881 -13.390 -21.052 1.00 0.00 C ATOM 356 NE2 HIS A 23 -0.180 -13.828 -22.082 1.00 0.00 N ATOM 0 H HIS A 23 4.416 -10.268 -20.256 1.00 0.00 H new ATOM 0 HA HIS A 23 2.156 -10.506 -22.129 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.170 -12.290 -20.353 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.033 -11.469 -19.303 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.888 -13.471 -22.719 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.910 -13.638 -20.837 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.523 -14.458 -22.807 1.00 0.00 H new ATOM 364 N ARG A 24 2.320 -8.077 -20.398 1.00 0.00 N ATOM 365 CA ARG A 24 1.677 -6.914 -19.800 1.00 0.00 C ATOM 366 C ARG A 24 1.240 -7.210 -18.368 1.00 0.00 C ATOM 367 O ARG A 24 0.304 -6.596 -17.855 1.00 0.00 O ATOM 368 CB ARG A 24 0.468 -6.487 -20.635 1.00 0.00 C ATOM 369 CG ARG A 24 0.840 -5.839 -21.959 1.00 0.00 C ATOM 370 CD ARG A 24 -0.157 -4.760 -22.351 1.00 0.00 C ATOM 371 NE ARG A 24 0.182 -3.464 -21.771 1.00 0.00 N ATOM 372 CZ ARG A 24 1.243 -2.751 -22.135 1.00 0.00 C ATOM 373 NH1 ARG A 24 2.062 -3.206 -23.073 1.00 0.00 N ATOM 374 NH2 ARG A 24 1.485 -1.580 -21.560 1.00 0.00 N ATOM 0 H ARG A 24 3.256 -7.900 -20.763 1.00 0.00 H new ATOM 0 HA ARG A 24 2.402 -6.100 -19.780 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.155 -7.360 -20.830 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.135 -5.788 -20.055 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.837 -5.405 -21.885 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.880 -6.599 -22.739 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.189 -4.674 -23.437 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.155 -5.053 -22.025 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.429 -3.085 -21.047 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.879 -4.106 -23.518 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.875 -2.656 -23.350 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.857 -1.227 -20.838 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.299 -1.033 -21.840 1.00 0.00 H new ATOM 388 N ILE A 25 1.924 -8.153 -17.730 1.00 0.00 N ATOM 389 CA ILE A 25 1.607 -8.530 -16.358 1.00 0.00 C ATOM 390 C ILE A 25 1.571 -7.308 -15.447 1.00 0.00 C ATOM 391 O ILE A 25 2.313 -6.346 -15.650 1.00 0.00 O ATOM 392 CB ILE A 25 2.626 -9.542 -15.802 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.608 -10.826 -16.633 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.328 -9.845 -14.341 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.336 -11.629 -16.477 1.00 0.00 C ATOM 0 H ILE A 25 2.701 -8.670 -18.141 1.00 0.00 H new ATOM 0 HA ILE A 25 0.621 -8.994 -16.378 1.00 0.00 H new ATOM 0 HB ILE A 25 3.622 -9.105 -15.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.740 -10.571 -17.684 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.457 -11.446 -16.347 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.057 -10.562 -13.962 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.387 -8.925 -13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.326 -10.265 -14.254 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.393 -12.525 -17.095 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.212 -11.915 -15.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.484 -11.026 -16.791 1.00 0.00 H new ATOM 407 N LYS A 26 0.705 -7.352 -14.440 1.00 0.00 N ATOM 408 CA LYS A 26 0.573 -6.250 -13.495 1.00 0.00 C ATOM 409 C LYS A 26 1.548 -6.411 -12.333 1.00 0.00 C ATOM 410 O LYS A 26 2.402 -7.299 -12.343 1.00 0.00 O ATOM 411 CB LYS A 26 -0.860 -6.174 -12.964 1.00 0.00 C ATOM 412 CG LYS A 26 -1.557 -4.862 -13.279 1.00 0.00 C ATOM 413 CD LYS A 26 -2.276 -4.919 -14.616 1.00 0.00 C ATOM 414 CE LYS A 26 -2.883 -3.573 -14.981 1.00 0.00 C ATOM 415 NZ LYS A 26 -3.995 -3.199 -14.064 1.00 0.00 N ATOM 0 H LYS A 26 0.084 -8.140 -14.258 1.00 0.00 H new ATOM 0 HA LYS A 26 0.809 -5.324 -14.020 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.439 -6.994 -13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.846 -6.318 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.272 -4.631 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.825 -4.054 -13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.577 -5.227 -15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.061 -5.674 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.110 -2.805 -14.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.253 -3.607 -16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.448 -2.327 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.696 -3.966 -14.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.618 -3.042 -13.108 1.00 0.00 H new ATOM 429 N THR A 27 1.416 -5.548 -11.330 1.00 0.00 N ATOM 430 CA THR A 27 2.285 -5.595 -10.161 1.00 0.00 C ATOM 431 C THR A 27 1.969 -6.805 -9.290 1.00 0.00 C ATOM 432 O THR A 27 1.117 -7.625 -9.634 1.00 0.00 O ATOM 433 CB THR A 27 2.153 -4.317 -9.312 1.00 0.00 C ATOM 434 OG1 THR A 27 0.814 -4.193 -8.818 1.00 0.00 O ATOM 435 CG2 THR A 27 2.514 -3.085 -10.128 1.00 0.00 C ATOM 0 H THR A 27 0.715 -4.808 -11.304 1.00 0.00 H new ATOM 0 HA THR A 27 3.308 -5.673 -10.530 1.00 0.00 H new ATOM 0 HB THR A 27 2.844 -4.392 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.739 -3.379 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.413 -2.195 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.543 -3.169 -10.478 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.845 -3.007 -10.985 1.00 0.00 H new ATOM 443 N VAL A 28 2.660 -6.911 -8.160 1.00 0.00 N ATOM 444 CA VAL A 28 2.452 -8.022 -7.238 1.00 0.00 C ATOM 445 C VAL A 28 0.967 -8.256 -6.986 1.00 0.00 C ATOM 446 O VAL A 28 0.544 -9.377 -6.702 1.00 0.00 O ATOM 447 CB VAL A 28 3.157 -7.772 -5.891 1.00 0.00 C ATOM 448 CG1 VAL A 28 2.987 -8.970 -4.969 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.630 -7.462 -6.110 1.00 0.00 C ATOM 0 H VAL A 28 3.369 -6.241 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 28 2.882 -8.907 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 28 2.695 -6.908 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.491 -8.775 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.926 -9.141 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.421 -9.854 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.112 -7.288 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.109 -8.305 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.726 -6.571 -6.730 1.00 0.00 H new ATOM 459 N VAL A 29 0.179 -7.191 -7.093 1.00 0.00 N ATOM 460 CA VAL A 29 -1.260 -7.281 -6.879 1.00 0.00 C ATOM 461 C VAL A 29 -1.885 -8.338 -7.782 1.00 0.00 C ATOM 462 O VAL A 29 -2.668 -9.173 -7.328 1.00 0.00 O ATOM 463 CB VAL A 29 -1.951 -5.928 -7.137 1.00 0.00 C ATOM 464 CG1 VAL A 29 -3.464 -6.084 -7.089 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.482 -4.890 -6.129 1.00 0.00 C ATOM 0 H VAL A 29 0.513 -6.256 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.408 -7.564 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.676 -5.583 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.935 -5.119 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.781 -6.794 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.761 -6.451 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.980 -3.941 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.726 -5.225 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.403 -4.759 -6.217 1.00 0.00 H new ATOM 475 N ASP A 30 -1.534 -8.297 -9.062 1.00 0.00 N ATOM 476 CA ASP A 30 -2.060 -9.254 -10.030 1.00 0.00 C ATOM 477 C ASP A 30 -1.497 -10.649 -9.776 1.00 0.00 C ATOM 478 O ASP A 30 -2.167 -11.654 -10.019 1.00 0.00 O ATOM 479 CB ASP A 30 -1.725 -8.807 -11.454 1.00 0.00 C ATOM 480 CG ASP A 30 -2.051 -9.869 -12.486 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.250 -10.152 -12.687 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.106 -10.416 -13.092 1.00 0.00 O ATOM 0 H ASP A 30 -0.888 -7.612 -9.454 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.143 -9.292 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.279 -7.897 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.665 -8.559 -11.514 1.00 0.00 H new ATOM 487 N LEU A 31 -0.264 -10.703 -9.287 1.00 0.00 N ATOM 488 CA LEU A 31 0.390 -11.976 -9.000 1.00 0.00 C ATOM 489 C LEU A 31 -0.469 -12.834 -8.077 1.00 0.00 C ATOM 490 O LEU A 31 -0.694 -14.015 -8.340 1.00 0.00 O ATOM 491 CB LEU A 31 1.760 -11.736 -8.364 1.00 0.00 C ATOM 492 CG LEU A 31 2.744 -12.905 -8.427 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.992 -13.317 -9.870 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.053 -12.539 -7.743 1.00 0.00 C ATOM 0 H LEU A 31 0.304 -9.881 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 31 0.522 -12.509 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.218 -10.875 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.611 -11.469 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 31 2.306 -13.752 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.695 -14.150 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.051 -13.622 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.408 -12.475 -10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.741 -13.383 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.496 -11.677 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.862 -12.294 -6.698 1.00 0.00 H new ATOM 506 N VAL A 32 -0.948 -12.230 -6.993 1.00 0.00 N ATOM 507 CA VAL A 32 -1.786 -12.938 -6.032 1.00 0.00 C ATOM 508 C VAL A 32 -2.986 -13.580 -6.717 1.00 0.00 C ATOM 509 O VAL A 32 -3.333 -14.728 -6.438 1.00 0.00 O ATOM 510 CB VAL A 32 -2.286 -11.994 -4.922 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.194 -12.740 -3.956 1.00 0.00 C ATOM 512 CG2 VAL A 32 -1.111 -11.367 -4.187 1.00 0.00 C ATOM 0 H VAL A 32 -0.770 -11.253 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.168 -13.717 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.865 -11.194 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.538 -12.057 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.053 -13.136 -4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.642 -13.562 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.483 -10.703 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.503 -12.152 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.505 -10.796 -4.890 1.00 0.00 H new ATOM 522 N SER A 33 -3.618 -12.832 -7.616 1.00 0.00 N ATOM 523 CA SER A 33 -4.783 -13.327 -8.339 1.00 0.00 C ATOM 524 C SER A 33 -4.360 -14.174 -9.536 1.00 0.00 C ATOM 525 O SER A 33 -5.197 -14.757 -10.225 1.00 0.00 O ATOM 526 CB SER A 33 -5.653 -12.159 -8.809 1.00 0.00 C ATOM 527 OG SER A 33 -6.551 -12.568 -9.826 1.00 0.00 O ATOM 0 H SER A 33 -3.343 -11.881 -7.861 1.00 0.00 H new ATOM 0 HA SER A 33 -5.362 -13.952 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.213 -11.757 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.018 -11.356 -9.182 1.00 0.00 H new ATOM 0 HG SER A 33 -6.481 -13.537 -9.953 1.00 0.00 H new ATOM 533 N ALA A 34 -3.055 -14.238 -9.776 1.00 0.00 N ATOM 534 CA ALA A 34 -2.519 -15.014 -10.887 1.00 0.00 C ATOM 535 C ALA A 34 -2.193 -16.440 -10.454 1.00 0.00 C ATOM 536 O ALA A 34 -2.554 -16.862 -9.355 1.00 0.00 O ATOM 537 CB ALA A 34 -1.281 -14.337 -11.455 1.00 0.00 C ATOM 0 H ALA A 34 -2.349 -13.761 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.281 -15.063 -11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.891 -14.928 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.542 -13.340 -11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.521 -14.257 -10.678 1.00 0.00 H new ATOM 543 N ASP A 35 -1.511 -17.176 -11.324 1.00 0.00 N ATOM 544 CA ASP A 35 -1.136 -18.554 -11.030 1.00 0.00 C ATOM 545 C ASP A 35 0.348 -18.654 -10.691 1.00 0.00 C ATOM 546 O ASP A 35 1.153 -19.110 -11.504 1.00 0.00 O ATOM 547 CB ASP A 35 -1.461 -19.458 -12.221 1.00 0.00 C ATOM 548 CG ASP A 35 -2.934 -19.810 -12.296 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.705 -19.017 -12.875 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.315 -20.879 -11.775 1.00 0.00 O ATOM 0 H ASP A 35 -1.207 -16.842 -12.238 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.711 -18.884 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.162 -18.960 -13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.875 -20.374 -12.149 1.00 0.00 H new ATOM 555 N LEU A 36 0.703 -18.223 -9.486 1.00 0.00 N ATOM 556 CA LEU A 36 2.091 -18.262 -9.038 1.00 0.00 C ATOM 557 C LEU A 36 2.655 -19.675 -9.135 1.00 0.00 C ATOM 558 O LEU A 36 3.836 -19.864 -9.428 1.00 0.00 O ATOM 559 CB LEU A 36 2.198 -17.756 -7.598 1.00 0.00 C ATOM 560 CG LEU A 36 3.527 -17.105 -7.212 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.657 -18.120 -7.278 1.00 0.00 C ATOM 562 CD2 LEU A 36 3.822 -15.917 -8.116 1.00 0.00 C ATOM 0 H LEU A 36 0.049 -17.843 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 36 2.675 -17.612 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.400 -17.034 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.018 -18.594 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 36 3.448 -16.745 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.595 -17.639 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.451 -18.939 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.736 -18.511 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.771 -15.466 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.881 -16.253 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.026 -15.179 -8.019 1.00 0.00 H new ATOM 574 N GLU A 37 1.803 -20.665 -8.890 1.00 0.00 N ATOM 575 CA GLU A 37 2.217 -22.062 -8.951 1.00 0.00 C ATOM 576 C GLU A 37 2.746 -22.412 -10.339 1.00 0.00 C ATOM 577 O GLU A 37 3.782 -23.063 -10.473 1.00 0.00 O ATOM 578 CB GLU A 37 1.046 -22.981 -8.594 1.00 0.00 C ATOM 579 CG GLU A 37 -0.197 -22.737 -9.433 1.00 0.00 C ATOM 580 CD GLU A 37 -1.398 -23.518 -8.936 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.239 -24.311 -7.985 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.498 -23.334 -9.499 1.00 0.00 O ATOM 0 H GLU A 37 0.822 -20.526 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 37 3.018 -22.208 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.359 -24.018 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.796 -22.845 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.432 -21.673 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.008 -23.012 -10.468 1.00 0.00 H new ATOM 589 N GLU A 38 2.027 -21.975 -11.368 1.00 0.00 N ATOM 590 CA GLU A 38 2.424 -22.243 -12.745 1.00 0.00 C ATOM 591 C GLU A 38 3.596 -21.358 -13.156 1.00 0.00 C ATOM 592 O GLU A 38 4.586 -21.836 -13.710 1.00 0.00 O ATOM 593 CB GLU A 38 1.243 -22.017 -13.693 1.00 0.00 C ATOM 594 CG GLU A 38 1.408 -22.696 -15.042 1.00 0.00 C ATOM 595 CD GLU A 38 1.209 -24.197 -14.968 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.042 -24.642 -14.987 1.00 0.00 O ATOM 597 OE2 GLU A 38 2.219 -24.927 -14.891 1.00 0.00 O ATOM 0 H GLU A 38 1.167 -21.434 -11.274 1.00 0.00 H new ATOM 0 HA GLU A 38 2.738 -23.285 -12.809 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.332 -22.384 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.112 -20.946 -13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.693 -22.273 -15.747 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.404 -22.484 -15.432 1.00 0.00 H new ATOM 604 N VAL A 39 3.477 -20.063 -12.881 1.00 0.00 N ATOM 605 CA VAL A 39 4.526 -19.109 -13.221 1.00 0.00 C ATOM 606 C VAL A 39 5.855 -19.505 -12.588 1.00 0.00 C ATOM 607 O VAL A 39 6.910 -19.391 -13.211 1.00 0.00 O ATOM 608 CB VAL A 39 4.158 -17.684 -12.767 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.265 -16.705 -13.129 1.00 0.00 C ATOM 610 CG2 VAL A 39 2.834 -17.255 -13.380 1.00 0.00 C ATOM 0 H VAL A 39 2.664 -19.650 -12.423 1.00 0.00 H new ATOM 0 HA VAL A 39 4.626 -19.122 -14.306 1.00 0.00 H new ATOM 0 HB VAL A 39 4.047 -17.684 -11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.987 -15.704 -12.800 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.191 -17.004 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.412 -16.705 -14.209 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.590 -16.246 -13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.914 -17.270 -14.467 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.048 -17.941 -13.065 1.00 0.00 H new ATOM 620 N ALA A 40 5.796 -19.972 -11.345 1.00 0.00 N ATOM 621 CA ALA A 40 6.995 -20.388 -10.627 1.00 0.00 C ATOM 622 C ALA A 40 7.656 -21.582 -11.308 1.00 0.00 C ATOM 623 O ALA A 40 8.881 -21.691 -11.336 1.00 0.00 O ATOM 624 CB ALA A 40 6.656 -20.723 -9.183 1.00 0.00 C ATOM 0 H ALA A 40 4.931 -20.072 -10.814 1.00 0.00 H new ATOM 0 HA ALA A 40 7.702 -19.558 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.561 -21.032 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.236 -19.844 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.928 -21.534 -9.159 1.00 0.00 H new ATOM 630 N GLN A 41 6.836 -22.474 -11.855 1.00 0.00 N ATOM 631 CA GLN A 41 7.342 -23.661 -12.534 1.00 0.00 C ATOM 632 C GLN A 41 8.056 -23.284 -13.828 1.00 0.00 C ATOM 633 O GLN A 41 9.193 -23.695 -14.065 1.00 0.00 O ATOM 634 CB GLN A 41 6.198 -24.631 -12.833 1.00 0.00 C ATOM 635 CG GLN A 41 6.372 -25.995 -12.187 1.00 0.00 C ATOM 636 CD GLN A 41 5.682 -27.101 -12.961 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.853 -27.224 -14.175 1.00 0.00 O ATOM 638 NE2 GLN A 41 4.897 -27.913 -12.263 1.00 0.00 N ATOM 0 H GLN A 41 5.819 -22.397 -11.841 1.00 0.00 H new ATOM 0 HA GLN A 41 8.058 -24.149 -11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.261 -24.192 -12.489 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.113 -24.758 -13.912 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.435 -26.222 -12.107 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.975 -25.965 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.784 -27.775 -11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.407 -28.675 -12.731 1.00 0.00 H new ATOM 647 N LYS A 42 7.383 -22.500 -14.663 1.00 0.00 N ATOM 648 CA LYS A 42 7.952 -22.067 -15.933 1.00 0.00 C ATOM 649 C LYS A 42 9.149 -21.148 -15.708 1.00 0.00 C ATOM 650 O LYS A 42 10.177 -21.278 -16.373 1.00 0.00 O ATOM 651 CB LYS A 42 6.893 -21.346 -16.771 1.00 0.00 C ATOM 652 CG LYS A 42 6.258 -20.163 -16.062 1.00 0.00 C ATOM 653 CD LYS A 42 5.109 -19.580 -16.868 1.00 0.00 C ATOM 654 CE LYS A 42 3.825 -20.367 -16.656 1.00 0.00 C ATOM 655 NZ LYS A 42 2.904 -20.249 -17.820 1.00 0.00 N ATOM 0 H LYS A 42 6.442 -22.151 -14.482 1.00 0.00 H new ATOM 0 HA LYS A 42 8.291 -22.952 -16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.349 -21.001 -17.699 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.113 -22.056 -17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.895 -20.477 -15.083 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.011 -19.393 -15.891 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.952 -18.540 -16.580 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.368 -19.582 -17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.066 -21.417 -16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.323 -20.008 -15.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.041 -20.799 -17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.654 -19.250 -17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.373 -20.615 -18.673 1.00 0.00 H new ATOM 669 N CYS A 43 9.008 -20.221 -14.767 1.00 0.00 N ATOM 670 CA CYS A 43 10.078 -19.281 -14.453 1.00 0.00 C ATOM 671 C CYS A 43 11.223 -19.982 -13.728 1.00 0.00 C ATOM 672 O CYS A 43 12.356 -19.503 -13.725 1.00 0.00 O ATOM 673 CB CYS A 43 9.542 -18.133 -13.596 1.00 0.00 C ATOM 674 SG CYS A 43 8.435 -17.009 -14.478 1.00 0.00 S ATOM 0 H CYS A 43 8.163 -20.100 -14.208 1.00 0.00 H new ATOM 0 HA CYS A 43 10.459 -18.877 -15.391 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.012 -18.550 -12.739 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.384 -17.563 -13.203 1.00 0.00 H new ATOM 0 HG CYS A 43 8.816 -15.782 -14.281 1.00 0.00 H new ATOM 680 N GLY A 44 10.917 -21.120 -13.112 1.00 0.00 N ATOM 681 CA GLY A 44 11.930 -21.868 -12.390 1.00 0.00 C ATOM 682 C GLY A 44 12.163 -21.329 -10.993 1.00 0.00 C ATOM 683 O GLY A 44 13.183 -21.622 -10.368 1.00 0.00 O ATOM 0 H GLY A 44 9.986 -21.537 -13.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.629 -22.914 -12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.866 -21.839 -12.948 1.00 0.00 H new ATOM 687 N LEU A 45 11.215 -20.539 -10.500 1.00 0.00 N ATOM 688 CA LEU A 45 11.322 -19.956 -9.167 1.00 0.00 C ATOM 689 C LEU A 45 10.698 -20.873 -8.120 1.00 0.00 C ATOM 690 O LEU A 45 9.649 -21.474 -8.353 1.00 0.00 O ATOM 691 CB LEU A 45 10.642 -18.586 -9.132 1.00 0.00 C ATOM 692 CG LEU A 45 10.336 -18.024 -7.743 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.804 -16.581 -7.637 1.00 0.00 C ATOM 694 CD2 LEU A 45 8.848 -18.127 -7.442 1.00 0.00 C ATOM 0 H LEU A 45 10.364 -20.288 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 45 12.380 -19.836 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.277 -17.874 -9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.708 -18.652 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 45 10.877 -18.616 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.578 -16.197 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.879 -16.534 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.290 -15.976 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.649 -17.722 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.286 -17.560 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.541 -19.172 -7.476 1.00 0.00 H new ATOM 706 N SER A 46 11.349 -20.974 -6.966 1.00 0.00 N ATOM 707 CA SER A 46 10.859 -21.819 -5.883 1.00 0.00 C ATOM 708 C SER A 46 9.767 -21.107 -5.090 1.00 0.00 C ATOM 709 O SER A 46 9.992 -20.037 -4.525 1.00 0.00 O ATOM 710 CB SER A 46 12.008 -22.209 -4.952 1.00 0.00 C ATOM 711 OG SER A 46 13.226 -22.329 -5.668 1.00 0.00 O ATOM 0 H SER A 46 12.217 -20.481 -6.757 1.00 0.00 H new ATOM 0 HA SER A 46 10.435 -22.722 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.116 -21.459 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.777 -23.154 -4.460 1.00 0.00 H new ATOM 0 HG SER A 46 13.945 -22.577 -5.051 1.00 0.00 H new ATOM 717 N TYR A 47 8.583 -21.710 -5.054 1.00 0.00 N ATOM 718 CA TYR A 47 7.455 -21.133 -4.333 1.00 0.00 C ATOM 719 C TYR A 47 7.842 -20.793 -2.897 1.00 0.00 C ATOM 720 O TYR A 47 7.301 -19.862 -2.300 1.00 0.00 O ATOM 721 CB TYR A 47 6.271 -22.103 -4.338 1.00 0.00 C ATOM 722 CG TYR A 47 4.970 -21.471 -3.898 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.254 -20.642 -4.752 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.456 -21.703 -2.628 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.064 -20.062 -4.355 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.267 -21.129 -2.222 1.00 0.00 C ATOM 727 CZ TYR A 47 2.575 -20.309 -3.089 1.00 0.00 C ATOM 728 OH TYR A 47 1.391 -19.734 -2.688 1.00 0.00 O ATOM 0 H TYR A 47 8.380 -22.597 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 47 7.165 -20.212 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.147 -22.507 -5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.497 -22.943 -3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.634 -20.447 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.996 -22.344 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.520 -19.419 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.881 -21.321 -1.232 1.00 0.00 H new ATOM 0 HH TYR A 47 1.188 -20.010 -1.770 1.00 0.00 H new ATOM 738 N LYS A 48 8.782 -21.554 -2.348 1.00 0.00 N ATOM 739 CA LYS A 48 9.245 -21.335 -0.983 1.00 0.00 C ATOM 740 C LYS A 48 9.762 -19.911 -0.807 1.00 0.00 C ATOM 741 O LYS A 48 9.560 -19.292 0.238 1.00 0.00 O ATOM 742 CB LYS A 48 10.347 -22.336 -0.629 1.00 0.00 C ATOM 743 CG LYS A 48 11.441 -22.432 -1.678 1.00 0.00 C ATOM 744 CD LYS A 48 12.616 -23.261 -1.185 1.00 0.00 C ATOM 745 CE LYS A 48 12.431 -24.736 -1.505 1.00 0.00 C ATOM 746 NZ LYS A 48 12.929 -25.074 -2.867 1.00 0.00 N ATOM 0 H LYS A 48 9.239 -22.329 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 48 8.400 -21.482 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.793 -22.051 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.901 -23.321 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.037 -22.877 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.785 -21.431 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.536 -22.900 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.727 -23.132 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.960 -25.337 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.375 -24.994 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.151 -25.470 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.290 -24.214 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.694 -25.774 -2.793 1.00 0.00 H new ATOM 760 N ALA A 49 10.429 -19.396 -1.835 1.00 0.00 N ATOM 761 CA ALA A 49 10.971 -18.044 -1.794 1.00 0.00 C ATOM 762 C ALA A 49 9.859 -17.004 -1.872 1.00 0.00 C ATOM 763 O ALA A 49 9.947 -15.939 -1.259 1.00 0.00 O ATOM 764 CB ALA A 49 11.967 -17.840 -2.927 1.00 0.00 C ATOM 0 H ALA A 49 10.607 -19.895 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 49 11.487 -17.915 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.364 -16.826 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.784 -18.554 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.467 -17.994 -3.883 1.00 0.00 H new ATOM 770 N LEU A 50 8.813 -17.318 -2.629 1.00 0.00 N ATOM 771 CA LEU A 50 7.683 -16.409 -2.787 1.00 0.00 C ATOM 772 C LEU A 50 6.828 -16.379 -1.524 1.00 0.00 C ATOM 773 O LEU A 50 6.280 -15.339 -1.158 1.00 0.00 O ATOM 774 CB LEU A 50 6.829 -16.830 -3.984 1.00 0.00 C ATOM 775 CG LEU A 50 6.152 -15.697 -4.757 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.199 -14.930 -3.854 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.194 -14.762 -5.354 1.00 0.00 C ATOM 0 H LEU A 50 8.724 -18.195 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 50 8.075 -15.407 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.459 -17.389 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.057 -17.514 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 50 5.575 -16.133 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.727 -14.128 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.433 -15.607 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.753 -14.505 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.695 -13.962 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.799 -14.333 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.836 -15.320 -6.035 1.00 0.00 H new ATOM 789 N VAL A 51 6.720 -17.525 -0.861 1.00 0.00 N ATOM 790 CA VAL A 51 5.935 -17.630 0.364 1.00 0.00 C ATOM 791 C VAL A 51 6.431 -16.648 1.419 1.00 0.00 C ATOM 792 O VAL A 51 5.638 -16.047 2.144 1.00 0.00 O ATOM 793 CB VAL A 51 5.984 -19.056 0.942 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.196 -19.133 2.240 1.00 0.00 C ATOM 795 CG2 VAL A 51 5.456 -20.060 -0.072 1.00 0.00 C ATOM 0 H VAL A 51 7.166 -18.395 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 51 4.905 -17.388 0.102 1.00 0.00 H new ATOM 0 HB VAL A 51 7.022 -19.306 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.242 -20.148 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.624 -18.442 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.157 -18.864 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.498 -21.063 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.424 -19.815 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.067 -20.022 -0.974 1.00 0.00 H new ATOM 805 N ALA A 52 7.748 -16.490 1.501 1.00 0.00 N ATOM 806 CA ALA A 52 8.350 -15.579 2.466 1.00 0.00 C ATOM 807 C ALA A 52 7.833 -14.157 2.276 1.00 0.00 C ATOM 808 O ALA A 52 7.484 -13.478 3.243 1.00 0.00 O ATOM 809 CB ALA A 52 9.867 -15.611 2.348 1.00 0.00 C ATOM 0 H ALA A 52 8.419 -16.982 0.910 1.00 0.00 H new ATOM 0 HA ALA A 52 8.067 -15.910 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.303 -14.926 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.226 -16.622 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.160 -15.308 1.343 1.00 0.00 H new ATOM 815 N LEU A 53 7.785 -13.712 1.026 1.00 0.00 N ATOM 816 CA LEU A 53 7.311 -12.370 0.709 1.00 0.00 C ATOM 817 C LEU A 53 5.813 -12.246 0.971 1.00 0.00 C ATOM 818 O LEU A 53 5.361 -11.292 1.604 1.00 0.00 O ATOM 819 CB LEU A 53 7.614 -12.032 -0.752 1.00 0.00 C ATOM 820 CG LEU A 53 9.056 -11.628 -1.062 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.913 -12.859 -1.314 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.102 -10.691 -2.260 1.00 0.00 C ATOM 0 H LEU A 53 8.069 -14.261 0.215 1.00 0.00 H new ATOM 0 HA LEU A 53 7.834 -11.665 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.361 -12.897 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.956 -11.220 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 53 9.459 -11.100 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.936 -12.552 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.907 -13.494 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.512 -13.414 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.136 -10.414 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.681 -11.193 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.523 -9.794 -2.043 1.00 0.00 H new ATOM 834 N ARG A 54 5.050 -13.217 0.481 1.00 0.00 N ATOM 835 CA ARG A 54 3.603 -13.218 0.664 1.00 0.00 C ATOM 836 C ARG A 54 3.242 -13.207 2.146 1.00 0.00 C ATOM 837 O ARG A 54 2.361 -12.462 2.575 1.00 0.00 O ATOM 838 CB ARG A 54 2.982 -14.440 -0.015 1.00 0.00 C ATOM 839 CG ARG A 54 2.201 -14.105 -1.275 1.00 0.00 C ATOM 840 CD ARG A 54 1.105 -15.126 -1.538 1.00 0.00 C ATOM 841 NE ARG A 54 -0.184 -14.694 -1.004 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.348 -15.203 -1.392 1.00 0.00 C ATOM 843 NH1 ARG A 54 -1.385 -16.157 -2.313 1.00 0.00 N ATOM 844 NH2 ARG A 54 -2.479 -14.758 -0.859 1.00 0.00 N ATOM 0 H ARG A 54 5.409 -14.013 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 54 3.204 -12.314 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.773 -15.147 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.319 -14.940 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.760 -13.113 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.880 -14.070 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.015 -15.293 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.382 -16.080 -1.089 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.191 -13.961 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.518 -16.502 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.280 -16.546 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.455 -14.024 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.372 -15.150 -1.158 1.00 0.00 H new ATOM 858 N ARG A 55 3.928 -14.040 2.923 1.00 0.00 N ATOM 859 CA ARG A 55 3.678 -14.128 4.356 1.00 0.00 C ATOM 860 C ARG A 55 3.886 -12.774 5.029 1.00 0.00 C ATOM 861 O ARG A 55 3.141 -12.397 5.933 1.00 0.00 O ATOM 862 CB ARG A 55 4.598 -15.172 4.993 1.00 0.00 C ATOM 863 CG ARG A 55 4.075 -15.723 6.309 1.00 0.00 C ATOM 864 CD ARG A 55 4.587 -17.131 6.566 1.00 0.00 C ATOM 865 NE ARG A 55 6.032 -17.158 6.777 1.00 0.00 N ATOM 866 CZ ARG A 55 6.776 -18.249 6.632 1.00 0.00 C ATOM 867 NH1 ARG A 55 6.214 -19.396 6.277 1.00 0.00 N ATOM 868 NH2 ARG A 55 8.085 -18.193 6.842 1.00 0.00 N ATOM 0 H ARG A 55 4.661 -14.663 2.584 1.00 0.00 H new ATOM 0 HA ARG A 55 2.641 -14.431 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.737 -15.996 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.579 -14.726 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.381 -15.069 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.985 -15.728 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.085 -17.545 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.332 -17.769 5.720 1.00 0.00 H new ATOM 0 HE ARG A 55 6.495 -16.292 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.208 -19.442 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.788 -20.232 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.520 -17.312 7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.656 -19.031 6.731 1.00 0.00 H new ATOM 882 N VAL A 56 4.905 -12.047 4.581 1.00 0.00 N ATOM 883 CA VAL A 56 5.211 -10.735 5.138 1.00 0.00 C ATOM 884 C VAL A 56 4.134 -9.719 4.775 1.00 0.00 C ATOM 885 O VAL A 56 3.759 -8.876 5.592 1.00 0.00 O ATOM 886 CB VAL A 56 6.575 -10.219 4.643 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.860 -8.835 5.207 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.681 -11.194 5.018 1.00 0.00 C ATOM 0 H VAL A 56 5.532 -12.345 3.834 1.00 0.00 H new ATOM 0 HA VAL A 56 5.246 -10.852 6.221 1.00 0.00 H new ATOM 0 HB VAL A 56 6.542 -10.142 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.828 -8.487 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.082 -8.143 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.874 -8.882 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.638 -10.814 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.716 -11.305 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.482 -12.163 4.561 1.00 0.00 H new ATOM 898 N LEU A 57 3.639 -9.803 3.545 1.00 0.00 N ATOM 899 CA LEU A 57 2.603 -8.891 3.073 1.00 0.00 C ATOM 900 C LEU A 57 1.310 -9.082 3.859 1.00 0.00 C ATOM 901 O LEU A 57 0.696 -8.114 4.310 1.00 0.00 O ATOM 902 CB LEU A 57 2.345 -9.110 1.581 1.00 0.00 C ATOM 903 CG LEU A 57 3.476 -8.703 0.637 1.00 0.00 C ATOM 904 CD1 LEU A 57 3.220 -9.237 -0.764 1.00 0.00 C ATOM 905 CD2 LEU A 57 3.632 -7.189 0.613 1.00 0.00 C ATOM 0 H LEU A 57 3.938 -10.493 2.856 1.00 0.00 H new ATOM 0 HA LEU A 57 2.953 -7.870 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.128 -10.166 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.449 -8.555 1.303 1.00 0.00 H new ATOM 0 HG LEU A 57 4.405 -9.138 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.036 -8.937 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.159 -10.325 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.281 -8.832 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.442 -6.917 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.703 -6.733 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.863 -6.831 1.616 1.00 0.00 H new ATOM 917 N LEU A 58 0.902 -10.336 4.020 1.00 0.00 N ATOM 918 CA LEU A 58 -0.318 -10.655 4.754 1.00 0.00 C ATOM 919 C LEU A 58 -0.127 -10.431 6.251 1.00 0.00 C ATOM 920 O LEU A 58 -1.059 -10.040 6.954 1.00 0.00 O ATOM 921 CB LEU A 58 -0.730 -12.104 4.492 1.00 0.00 C ATOM 922 CG LEU A 58 0.327 -13.167 4.791 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.273 -13.576 6.255 1.00 0.00 C ATOM 924 CD2 LEU A 58 0.135 -14.378 3.890 1.00 0.00 C ATOM 0 H LEU A 58 1.398 -11.148 3.652 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.108 -9.990 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.615 -12.323 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.021 -12.194 3.446 1.00 0.00 H new ATOM 0 HG LEU A 58 1.310 -12.741 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.032 -14.333 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.460 -12.705 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.712 -13.983 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.896 -15.125 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.854 -14.805 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.225 -14.074 2.847 1.00 0.00 H new ATOM 936 N ALA A 59 1.086 -10.681 6.731 1.00 0.00 N ATOM 937 CA ALA A 59 1.401 -10.503 8.143 1.00 0.00 C ATOM 938 C ALA A 59 1.113 -9.075 8.594 1.00 0.00 C ATOM 939 O ALA A 59 0.667 -8.847 9.718 1.00 0.00 O ATOM 940 CB ALA A 59 2.856 -10.859 8.409 1.00 0.00 C ATOM 0 H ALA A 59 1.867 -11.008 6.163 1.00 0.00 H new ATOM 0 HA ALA A 59 0.764 -11.174 8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.077 -10.721 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.032 -11.899 8.134 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.503 -10.212 7.816 1.00 0.00 H new ATOM 946 N GLN A 60 1.373 -8.117 7.710 1.00 0.00 N ATOM 947 CA GLN A 60 1.143 -6.710 8.019 1.00 0.00 C ATOM 948 C GLN A 60 -0.342 -6.437 8.240 1.00 0.00 C ATOM 949 O GLN A 60 -0.713 -5.582 9.044 1.00 0.00 O ATOM 950 CB GLN A 60 1.674 -5.825 6.890 1.00 0.00 C ATOM 951 CG GLN A 60 3.174 -5.946 6.677 1.00 0.00 C ATOM 952 CD GLN A 60 3.967 -4.999 7.556 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.211 -3.849 7.188 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.373 -5.477 8.727 1.00 0.00 N ATOM 0 H GLN A 60 1.743 -8.289 6.775 1.00 0.00 H new ATOM 0 HA GLN A 60 1.678 -6.473 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.162 -6.085 5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.429 -4.786 7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.484 -6.971 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.406 -5.745 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.149 -6.436 8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.909 -4.885 9.361 1.00 0.00 H new ATOM 963 N PHE A 61 -1.186 -7.168 7.520 1.00 0.00 N ATOM 964 CA PHE A 61 -2.631 -7.004 7.636 1.00 0.00 C ATOM 965 C PHE A 61 -3.166 -7.748 8.856 1.00 0.00 C ATOM 966 O PHE A 61 -3.944 -7.201 9.638 1.00 0.00 O ATOM 967 CB PHE A 61 -3.326 -7.510 6.371 1.00 0.00 C ATOM 968 CG PHE A 61 -3.440 -6.469 5.293 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.384 -6.230 4.429 1.00 0.00 C ATOM 970 CD2 PHE A 61 -4.603 -5.731 5.145 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.486 -5.273 3.437 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.711 -4.773 4.154 1.00 0.00 C ATOM 973 CZ PHE A 61 -3.652 -4.545 3.299 1.00 0.00 C ATOM 0 H PHE A 61 -0.895 -7.880 6.850 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.843 -5.942 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.776 -8.366 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.324 -7.864 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.471 -6.798 4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.435 -5.906 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.655 -5.095 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.623 -4.204 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.735 -3.798 2.523 1.00 0.00 H new