USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 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 5 THR OG1 : rot -66:sc= 1.19 USER MOD Set 1.2: A 8 GLN : amide:sc= 1.04 X(o=2.2,f=1.7) USER MOD Single : A 9 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.056) USER MOD Single : A 18 HIS : no HD1:sc= -0.0263 K(o=-0.026,f=-2.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.148 K(o=-0.15,f=-6.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.821 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 39 SER OG : rot 29:sc= 1.27 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc=-0.00362 (180deg=-0.793) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.705 -1.252 -9.812 1.00 0.00 N ATOM 51 CA LEU A 4 -8.372 -1.857 -8.499 1.00 0.00 C ATOM 52 C LEU A 4 -9.605 -2.085 -7.572 1.00 0.00 C ATOM 53 O LEU A 4 -10.557 -1.300 -7.545 1.00 0.00 O ATOM 54 CB LEU A 4 -7.233 -1.028 -7.851 1.00 0.00 C ATOM 55 CG LEU A 4 -7.532 0.336 -7.199 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.250 0.843 -6.508 1.00 0.00 C ATOM 57 CD2 LEU A 4 -8.027 1.419 -8.156 1.00 0.00 C ATOM 0 HA LEU A 4 -8.014 -2.874 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.773 -1.655 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.480 -0.858 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.348 0.158 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.446 1.808 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.940 0.128 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.457 0.952 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.209 2.339 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.273 1.600 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.953 1.091 -8.629 1.00 0.00 H new ATOM 69 N THR A 5 -9.559 -3.164 -6.781 1.00 0.00 N ATOM 70 CA THR A 5 -10.654 -3.515 -5.824 1.00 0.00 C ATOM 71 C THR A 5 -10.668 -2.622 -4.528 1.00 0.00 C ATOM 72 O THR A 5 -9.650 -2.047 -4.144 1.00 0.00 O ATOM 73 CB THR A 5 -10.634 -5.034 -5.435 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.469 -5.405 -4.704 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.755 -6.002 -6.607 1.00 0.00 C ATOM 0 H THR A 5 -8.779 -3.821 -6.774 1.00 0.00 H new ATOM 0 HA THR A 5 -11.577 -3.306 -6.365 1.00 0.00 H new ATOM 0 HB THR A 5 -11.526 -5.124 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.680 -5.315 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.731 -7.027 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.696 -5.826 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.924 -5.846 -7.295 1.00 0.00 H new ATOM 83 N ALA A 6 -11.820 -2.514 -3.844 1.00 0.00 N ATOM 84 CA ALA A 6 -11.996 -1.567 -2.704 1.00 0.00 C ATOM 85 C ALA A 6 -10.988 -1.625 -1.505 1.00 0.00 C ATOM 86 O ALA A 6 -10.470 -0.578 -1.116 1.00 0.00 O ATOM 87 CB ALA A 6 -13.454 -1.711 -2.238 1.00 0.00 C ATOM 0 H ALA A 6 -12.651 -3.067 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.754 -0.579 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.637 -1.037 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.125 -1.460 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.635 -2.738 -1.922 1.00 0.00 H new ATOM 93 N ARG A 7 -10.678 -2.809 -0.952 1.00 0.00 N ATOM 94 CA ARG A 7 -9.645 -2.940 0.121 1.00 0.00 C ATOM 95 C ARG A 7 -8.147 -2.758 -0.308 1.00 0.00 C ATOM 96 O ARG A 7 -7.376 -2.228 0.494 1.00 0.00 O ATOM 97 CB ARG A 7 -9.891 -4.250 0.917 1.00 0.00 C ATOM 98 CG ARG A 7 -10.895 -4.068 2.087 1.00 0.00 C ATOM 99 CD ARG A 7 -10.208 -3.512 3.344 1.00 0.00 C ATOM 100 NE ARG A 7 -11.199 -2.983 4.306 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.892 -2.377 5.449 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.681 -2.187 5.888 1.00 0.00 N ATOM 103 NH2 ARG A 7 -11.861 -1.928 6.169 1.00 0.00 N ATOM 0 H ARG A 7 -11.117 -3.690 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.788 -2.074 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.267 -5.016 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.942 -4.612 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.693 -3.393 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.360 -5.026 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.621 -4.298 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.513 -2.721 3.062 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.187 -3.091 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.884 -2.513 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.530 -1.712 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.825 -2.043 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.664 -1.457 7.052 1.00 0.00 H new ATOM 116 N GLN A 8 -7.737 -3.114 -1.539 1.00 0.00 N ATOM 117 CA GLN A 8 -6.458 -2.595 -2.118 1.00 0.00 C ATOM 118 C GLN A 8 -6.444 -1.064 -2.495 1.00 0.00 C ATOM 119 O GLN A 8 -5.392 -0.437 -2.386 1.00 0.00 O ATOM 120 CB GLN A 8 -5.944 -3.509 -3.264 1.00 0.00 C ATOM 121 CG GLN A 8 -6.723 -3.415 -4.582 1.00 0.00 C ATOM 122 CD GLN A 8 -6.338 -4.370 -5.691 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.110 -5.238 -6.084 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.192 -4.205 -6.295 1.00 0.00 N ATOM 0 H GLN A 8 -8.252 -3.746 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.742 -2.645 -1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.900 -3.264 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.969 -4.543 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.779 -3.566 -4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.619 -2.399 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.545 -3.485 -5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.944 -4.796 -7.088 1.00 0.00 H new ATOM 133 N GLN A 9 -7.581 -0.470 -2.897 1.00 0.00 N ATOM 134 CA GLN A 9 -7.755 1.009 -2.982 1.00 0.00 C ATOM 135 C GLN A 9 -7.581 1.772 -1.624 1.00 0.00 C ATOM 136 O GLN A 9 -6.875 2.777 -1.603 1.00 0.00 O ATOM 137 CB GLN A 9 -9.116 1.308 -3.656 1.00 0.00 C ATOM 138 CG GLN A 9 -9.225 2.647 -4.421 1.00 0.00 C ATOM 139 CD GLN A 9 -9.179 3.923 -3.601 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.979 4.150 -2.702 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.259 4.812 -3.874 1.00 0.00 N ATOM 0 H GLN A 9 -8.412 -0.993 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.940 1.399 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.338 0.498 -4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.889 1.290 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.416 2.686 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.160 2.640 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.586 4.637 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.215 5.680 -3.341 1.00 0.00 H new ATOM 150 N GLU A 10 -8.137 1.282 -0.505 1.00 0.00 N ATOM 151 CA GLU A 10 -7.766 1.754 0.860 1.00 0.00 C ATOM 152 C GLU A 10 -6.230 1.676 1.214 1.00 0.00 C ATOM 153 O GLU A 10 -5.677 2.656 1.718 1.00 0.00 O ATOM 154 CB GLU A 10 -8.591 0.952 1.897 1.00 0.00 C ATOM 155 CG GLU A 10 -10.105 1.256 1.899 1.00 0.00 C ATOM 156 CD GLU A 10 -10.834 0.454 2.963 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.940 0.807 4.131 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.311 -0.724 2.477 1.00 0.00 O ATOM 0 H GLU A 10 -8.851 0.554 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.997 2.819 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.449 -0.112 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.193 1.155 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.263 2.320 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.524 1.027 0.919 1.00 0.00 H new ATOM 166 N VAL A 11 -5.553 0.557 0.900 1.00 0.00 N ATOM 167 CA VAL A 11 -4.053 0.465 0.930 1.00 0.00 C ATOM 168 C VAL A 11 -3.335 1.535 0.022 1.00 0.00 C ATOM 169 O VAL A 11 -2.461 2.245 0.519 1.00 0.00 O ATOM 170 CB VAL A 11 -3.616 -1.007 0.625 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.091 -1.212 0.518 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.098 -2.007 1.706 1.00 0.00 C ATOM 0 H VAL A 11 -6.010 -0.310 0.619 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.718 0.720 1.936 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.084 -1.197 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.879 -2.260 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.696 -0.591 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.619 -0.930 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.768 -3.012 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.680 -1.727 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.186 -1.986 1.762 1.00 0.00 H new ATOM 182 N PHE A 12 -3.729 1.674 -1.253 1.00 0.00 N ATOM 183 CA PHE A 12 -3.311 2.810 -2.125 1.00 0.00 C ATOM 184 C PHE A 12 -3.561 4.248 -1.547 1.00 0.00 C ATOM 185 O PHE A 12 -2.635 5.054 -1.566 1.00 0.00 O ATOM 186 CB PHE A 12 -3.996 2.579 -3.497 1.00 0.00 C ATOM 187 CG PHE A 12 -3.501 3.478 -4.635 1.00 0.00 C ATOM 188 CD1 PHE A 12 -2.344 3.160 -5.365 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.203 4.649 -4.960 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.897 3.998 -6.386 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.756 5.486 -5.982 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.600 5.164 -6.686 1.00 0.00 C ATOM 0 H PHE A 12 -4.346 1.009 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.224 2.803 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.849 1.539 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.069 2.728 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.796 2.259 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.099 4.905 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.008 3.744 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.306 6.383 -6.227 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.246 5.820 -7.468 1.00 0.00 H new ATOM 202 N ASP A 13 -4.754 4.546 -1.017 1.00 0.00 N ATOM 203 CA ASP A 13 -5.057 5.827 -0.320 1.00 0.00 C ATOM 204 C ASP A 13 -4.164 6.160 0.930 1.00 0.00 C ATOM 205 O ASP A 13 -3.689 7.293 1.037 1.00 0.00 O ATOM 206 CB ASP A 13 -6.568 5.778 0.019 1.00 0.00 C ATOM 207 CG ASP A 13 -7.171 7.118 0.385 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.487 7.438 1.524 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.325 7.928 -0.696 1.00 0.00 O ATOM 0 H ASP A 13 -5.549 3.908 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.809 6.654 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.107 5.372 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.720 5.086 0.848 1.00 0.00 H new ATOM 215 N LEU A 14 -3.895 5.199 1.829 1.00 0.00 N ATOM 216 CA LEU A 14 -2.864 5.375 2.894 1.00 0.00 C ATOM 217 C LEU A 14 -1.376 5.535 2.391 1.00 0.00 C ATOM 218 O LEU A 14 -0.626 6.334 2.954 1.00 0.00 O ATOM 219 CB LEU A 14 -2.985 4.207 3.908 1.00 0.00 C ATOM 220 CG LEU A 14 -2.571 4.607 5.345 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.760 5.208 6.105 1.00 0.00 C ATOM 222 CD2 LEU A 14 -2.077 3.395 6.130 1.00 0.00 C ATOM 0 H LEU A 14 -4.367 4.295 1.850 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.081 6.334 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.014 3.848 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.362 3.377 3.574 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.771 5.342 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.447 5.482 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.115 6.095 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.564 4.474 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.793 3.704 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.872 2.652 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.213 2.962 5.626 1.00 0.00 H new ATOM 234 N ILE A 15 -0.980 4.818 1.328 1.00 0.00 N ATOM 235 CA ILE A 15 0.282 5.089 0.565 1.00 0.00 C ATOM 236 C ILE A 15 0.326 6.527 -0.069 1.00 0.00 C ATOM 237 O ILE A 15 1.314 7.224 0.148 1.00 0.00 O ATOM 238 CB ILE A 15 0.552 3.913 -0.451 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.815 2.574 0.307 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.740 4.192 -1.403 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.732 1.310 -0.540 1.00 0.00 C ATOM 0 H ILE A 15 -1.515 4.031 0.961 1.00 0.00 H new ATOM 0 HA ILE A 15 1.117 5.104 1.265 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.350 3.833 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.805 2.622 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.096 2.491 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.873 3.345 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.536 5.090 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.648 4.337 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.931 0.439 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.265 1.226 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.471 1.359 -1.340 1.00 0.00 H new ATOM 253 N ARG A 16 -0.720 6.985 -0.773 1.00 0.00 N ATOM 254 CA ARG A 16 -0.874 8.411 -1.193 1.00 0.00 C ATOM 255 C ARG A 16 -0.711 9.482 -0.049 1.00 0.00 C ATOM 256 O ARG A 16 0.037 10.447 -0.228 1.00 0.00 O ATOM 257 CB ARG A 16 -2.248 8.619 -1.890 1.00 0.00 C ATOM 258 CG ARG A 16 -2.500 7.798 -3.168 1.00 0.00 C ATOM 259 CD ARG A 16 -2.776 8.629 -4.422 1.00 0.00 C ATOM 260 NE ARG A 16 -4.167 9.142 -4.423 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.767 9.714 -5.452 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.223 9.896 -6.618 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.979 10.120 -5.286 1.00 0.00 N ATOM 0 H ARG A 16 -1.490 6.388 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.044 8.583 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.034 8.383 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.349 9.676 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.632 7.165 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.348 7.135 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.077 9.464 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.608 8.020 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.703 9.046 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.266 9.588 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.753 10.347 -7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.440 9.995 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.477 10.567 -6.056 1.00 0.00 H new ATOM 276 N ASP A 17 -1.351 9.275 1.115 1.00 0.00 N ATOM 277 CA ASP A 17 -1.107 10.100 2.326 1.00 0.00 C ATOM 278 C ASP A 17 0.363 10.052 2.871 1.00 0.00 C ATOM 279 O ASP A 17 0.934 11.115 3.104 1.00 0.00 O ATOM 280 CB ASP A 17 -2.141 9.716 3.417 1.00 0.00 C ATOM 281 CG ASP A 17 -2.671 10.917 4.183 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.666 11.545 3.838 1.00 0.00 O ATOM 283 OD2 ASP A 17 -1.920 11.214 5.280 1.00 0.00 O ATOM 0 H ASP A 17 -2.046 8.541 1.250 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.240 11.141 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.976 9.193 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.680 9.020 4.118 1.00 0.00 H new ATOM 289 N HIS A 18 0.969 8.867 3.053 1.00 0.00 N ATOM 290 CA HIS A 18 2.372 8.752 3.547 1.00 0.00 C ATOM 291 C HIS A 18 3.525 9.176 2.563 1.00 0.00 C ATOM 292 O HIS A 18 4.567 9.651 3.019 1.00 0.00 O ATOM 293 CB HIS A 18 2.586 7.325 4.090 1.00 0.00 C ATOM 294 CG HIS A 18 3.543 7.279 5.293 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.091 7.485 6.590 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.929 7.013 5.291 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.268 7.320 7.270 1.00 0.00 C ATOM 298 NE2 HIS A 18 5.410 7.033 6.581 1.00 0.00 N ATOM 0 H HIS A 18 0.519 7.970 2.869 1.00 0.00 H new ATOM 0 HA HIS A 18 2.462 9.504 4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.624 6.905 4.382 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.981 6.694 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.523 6.822 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.292 7.416 8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.357 6.877 6.926 1.00 0.00 H new ATOM 306 N ILE A 19 3.316 9.075 1.245 1.00 0.00 N ATOM 307 CA ILE A 19 4.086 9.853 0.215 1.00 0.00 C ATOM 308 C ILE A 19 4.125 11.412 0.492 1.00 0.00 C ATOM 309 O ILE A 19 5.200 12.002 0.383 1.00 0.00 O ATOM 310 CB ILE A 19 3.540 9.449 -1.202 1.00 0.00 C ATOM 311 CG1 ILE A 19 3.870 7.973 -1.603 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.919 10.394 -2.362 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.296 7.656 -2.045 1.00 0.00 C ATOM 0 H ILE A 19 2.612 8.456 0.842 1.00 0.00 H new ATOM 0 HA ILE A 19 5.142 9.588 0.268 1.00 0.00 H new ATOM 0 HB ILE A 19 2.464 9.548 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.634 7.334 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.198 7.688 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.490 10.019 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.531 11.392 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.004 10.439 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.374 6.597 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.546 8.252 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.988 7.893 -1.237 1.00 0.00 H new ATOM 325 N SER A 20 3.006 12.047 0.881 1.00 0.00 N ATOM 326 CA SER A 20 3.014 13.442 1.402 1.00 0.00 C ATOM 327 C SER A 20 3.499 13.662 2.885 1.00 0.00 C ATOM 328 O SER A 20 4.099 14.704 3.151 1.00 0.00 O ATOM 329 CB SER A 20 1.593 14.025 1.208 1.00 0.00 C ATOM 330 OG SER A 20 1.575 15.431 1.468 1.00 0.00 O ATOM 0 H SER A 20 2.079 11.623 0.848 1.00 0.00 H new ATOM 0 HA SER A 20 3.777 13.963 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.255 13.836 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.895 13.519 1.875 1.00 0.00 H new ATOM 0 HG SER A 20 0.667 15.776 1.337 1.00 0.00 H new ATOM 336 N GLN A 21 3.223 12.751 3.832 1.00 0.00 N ATOM 337 CA GLN A 21 3.714 12.863 5.240 1.00 0.00 C ATOM 338 C GLN A 21 5.266 12.624 5.470 1.00 0.00 C ATOM 339 O GLN A 21 5.818 13.114 6.456 1.00 0.00 O ATOM 340 CB GLN A 21 2.968 11.837 6.152 1.00 0.00 C ATOM 341 CG GLN A 21 1.445 12.013 6.293 1.00 0.00 C ATOM 342 CD GLN A 21 0.737 10.771 6.824 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.265 9.920 6.079 1.00 0.00 O ATOM 344 NE2 GLN A 21 0.584 10.630 8.112 1.00 0.00 N ATOM 0 H GLN A 21 2.659 11.919 3.659 1.00 0.00 H new ATOM 0 HA GLN A 21 3.511 13.904 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.160 10.836 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.409 11.884 7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.244 12.850 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.026 12.273 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.969 11.326 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.080 9.824 8.480 1.00 0.00 H new ATOM 353 N THR A 22 5.914 11.803 4.641 1.00 0.00 N ATOM 354 CA THR A 22 7.357 11.441 4.778 1.00 0.00 C ATOM 355 C THR A 22 8.042 11.215 3.383 1.00 0.00 C ATOM 356 O THR A 22 9.126 11.754 3.158 1.00 0.00 O ATOM 357 CB THR A 22 7.512 10.221 5.739 1.00 0.00 C ATOM 358 OG1 THR A 22 6.973 10.534 7.022 1.00 0.00 O ATOM 359 CG2 THR A 22 8.950 9.797 6.010 1.00 0.00 C ATOM 0 H THR A 22 5.462 11.358 3.842 1.00 0.00 H new ATOM 0 HA THR A 22 7.887 12.282 5.226 1.00 0.00 H new ATOM 0 HB THR A 22 6.991 9.414 5.224 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.074 9.761 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.956 8.943 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.430 9.519 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.494 10.625 6.465 1.00 0.00 H new ATOM 367 N GLY A 23 7.443 10.408 2.495 1.00 0.00 N ATOM 368 CA GLY A 23 8.004 10.119 1.149 1.00 0.00 C ATOM 369 C GLY A 23 8.020 8.651 0.669 1.00 0.00 C ATOM 370 O GLY A 23 8.758 8.352 -0.269 1.00 0.00 O ATOM 0 H GLY A 23 6.559 9.934 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.441 10.702 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.029 10.488 1.129 1.00 0.00 H new ATOM 374 N MET A 24 7.227 7.749 1.266 1.00 0.00 N ATOM 375 CA MET A 24 7.297 6.289 0.985 1.00 0.00 C ATOM 376 C MET A 24 5.956 5.525 1.302 1.00 0.00 C ATOM 377 O MET A 24 5.175 6.001 2.133 1.00 0.00 O ATOM 378 CB MET A 24 8.511 5.664 1.735 1.00 0.00 C ATOM 379 CG MET A 24 8.463 5.667 3.271 1.00 0.00 C ATOM 380 SD MET A 24 10.018 5.009 3.906 1.00 0.00 S ATOM 381 CE MET A 24 10.965 6.530 4.081 1.00 0.00 C ATOM 0 H MET A 24 6.519 7.999 1.956 1.00 0.00 H new ATOM 0 HA MET A 24 7.443 6.172 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.619 4.632 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.411 6.195 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.303 6.680 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.627 5.063 3.623 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.958 6.298 4.466 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.057 7.015 3.109 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.454 7.199 4.774 1.00 0.00 H new ATOM 391 N PRO A 25 5.666 4.315 0.747 1.00 0.00 N ATOM 392 CA PRO A 25 4.637 3.384 1.325 1.00 0.00 C ATOM 393 C PRO A 25 4.864 2.995 2.827 1.00 0.00 C ATOM 394 O PRO A 25 5.981 2.569 3.131 1.00 0.00 O ATOM 395 CB PRO A 25 4.767 2.129 0.404 1.00 0.00 C ATOM 396 CG PRO A 25 5.433 2.629 -0.893 1.00 0.00 C ATOM 397 CD PRO A 25 6.365 3.752 -0.418 1.00 0.00 C ATOM 0 HA PRO A 25 3.652 3.850 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.369 1.355 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.790 1.691 0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.987 1.833 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.695 2.997 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.349 3.369 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.517 4.502 -1.195 1.00 0.00 H new ATOM 405 N PRO A 26 3.907 3.099 3.790 1.00 0.00 N ATOM 406 CA PRO A 26 4.195 2.779 5.229 1.00 0.00 C ATOM 407 C PRO A 26 4.264 1.268 5.578 1.00 0.00 C ATOM 408 O PRO A 26 4.033 0.385 4.748 1.00 0.00 O ATOM 409 CB PRO A 26 3.082 3.581 5.948 1.00 0.00 C ATOM 410 CG PRO A 26 1.908 3.666 4.959 1.00 0.00 C ATOM 411 CD PRO A 26 2.551 3.626 3.567 1.00 0.00 C ATOM 0 HA PRO A 26 5.201 3.061 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.779 3.085 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.434 4.576 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.216 2.835 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.337 4.584 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.985 2.987 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.582 4.619 3.118 1.00 0.00 H new ATOM 419 N THR A 27 4.619 0.969 6.836 1.00 0.00 N ATOM 420 CA THR A 27 4.779 -0.431 7.320 1.00 0.00 C ATOM 421 C THR A 27 3.436 -1.241 7.365 1.00 0.00 C ATOM 422 O THR A 27 2.365 -0.675 7.584 1.00 0.00 O ATOM 423 CB THR A 27 5.414 -0.492 8.758 1.00 0.00 C ATOM 424 OG1 THR A 27 4.587 0.132 9.735 1.00 0.00 O ATOM 425 CG2 THR A 27 6.792 0.123 8.926 1.00 0.00 C ATOM 0 H THR A 27 4.804 1.675 7.549 1.00 0.00 H new ATOM 0 HA THR A 27 5.443 -0.888 6.586 1.00 0.00 H new ATOM 0 HB THR A 27 5.508 -1.568 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.692 1.105 9.679 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.115 0.015 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.499 -0.385 8.270 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.752 1.181 8.667 1.00 0.00 H new ATOM 433 N ARG A 28 3.507 -2.572 7.275 1.00 0.00 N ATOM 434 CA ARG A 28 2.326 -3.453 7.533 1.00 0.00 C ATOM 435 C ARG A 28 1.684 -3.399 8.970 1.00 0.00 C ATOM 436 O ARG A 28 0.498 -3.701 9.089 1.00 0.00 O ATOM 437 CB ARG A 28 2.710 -4.892 7.124 1.00 0.00 C ATOM 438 CG ARG A 28 2.468 -5.249 5.645 1.00 0.00 C ATOM 439 CD ARG A 28 3.131 -4.382 4.571 1.00 0.00 C ATOM 440 NE ARG A 28 4.605 -4.536 4.545 1.00 0.00 N ATOM 441 CZ ARG A 28 5.467 -3.629 4.104 1.00 0.00 C ATOM 442 NH1 ARG A 28 5.150 -2.439 3.689 1.00 0.00 N ATOM 443 NH2 ARG A 28 6.714 -3.951 4.091 1.00 0.00 N ATOM 0 H ARG A 28 4.358 -3.077 7.028 1.00 0.00 H new ATOM 0 HA ARG A 28 1.515 -3.056 6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.766 -5.045 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.148 -5.590 7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.798 -6.277 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.392 -5.230 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.724 -4.645 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.882 -3.336 4.749 1.00 0.00 H new ATOM 0 HE ARG A 28 4.989 -5.413 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.174 -2.143 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.877 -1.801 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.006 -4.874 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.410 -3.283 3.759 1.00 0.00 H new ATOM 456 N ALA A 29 2.413 -2.972 10.015 1.00 0.00 N ATOM 457 CA ALA A 29 1.790 -2.490 11.277 1.00 0.00 C ATOM 458 C ALA A 29 1.004 -1.132 11.175 1.00 0.00 C ATOM 459 O ALA A 29 -0.130 -1.064 11.651 1.00 0.00 O ATOM 460 CB ALA A 29 2.911 -2.430 12.325 1.00 0.00 C ATOM 0 H ALA A 29 3.433 -2.948 10.019 1.00 0.00 H new ATOM 0 HA ALA A 29 1.004 -3.191 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.504 -2.080 13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.338 -3.424 12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.687 -1.743 11.988 1.00 0.00 H new ATOM 466 N GLU A 30 1.573 -0.091 10.536 1.00 0.00 N ATOM 467 CA GLU A 30 0.824 1.145 10.161 1.00 0.00 C ATOM 468 C GLU A 30 -0.433 0.903 9.239 1.00 0.00 C ATOM 469 O GLU A 30 -1.528 1.323 9.605 1.00 0.00 O ATOM 470 CB GLU A 30 1.795 2.152 9.477 1.00 0.00 C ATOM 471 CG GLU A 30 2.820 2.828 10.407 1.00 0.00 C ATOM 472 CD GLU A 30 3.821 3.703 9.658 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.682 4.909 9.496 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.892 2.996 9.193 1.00 0.00 O ATOM 0 H GLU A 30 2.556 -0.073 10.263 1.00 0.00 H new ATOM 0 HA GLU A 30 0.428 1.549 11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.337 1.628 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.202 2.929 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.291 3.437 11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.360 2.061 10.961 1.00 0.00 H new ATOM 482 N ILE A 31 -0.281 0.210 8.103 1.00 0.00 N ATOM 483 CA ILE A 31 -1.409 -0.133 7.174 1.00 0.00 C ATOM 484 C ILE A 31 -2.529 -1.014 7.837 1.00 0.00 C ATOM 485 O ILE A 31 -3.710 -0.722 7.643 1.00 0.00 O ATOM 486 CB ILE A 31 -0.835 -0.743 5.832 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.103 0.272 5.108 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.947 -1.145 4.833 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.928 -0.277 3.951 1.00 0.00 C ATOM 0 H ILE A 31 0.624 -0.138 7.785 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.927 0.793 6.926 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.284 -1.634 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.507 1.094 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.786 0.693 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.494 -1.557 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.593 -1.895 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.538 -0.267 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.539 0.521 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.575 -1.077 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.262 -0.669 3.183 1.00 0.00 H new ATOM 501 N ALA A 32 -2.178 -2.044 8.626 1.00 0.00 N ATOM 502 CA ALA A 32 -3.161 -2.793 9.442 1.00 0.00 C ATOM 503 C ALA A 32 -3.929 -1.999 10.546 1.00 0.00 C ATOM 504 O ALA A 32 -5.153 -2.112 10.615 1.00 0.00 O ATOM 505 CB ALA A 32 -2.427 -4.018 10.006 1.00 0.00 C ATOM 0 H ALA A 32 -1.220 -2.381 8.719 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.983 -3.067 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.113 -4.604 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.059 -4.632 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.587 -3.689 10.618 1.00 0.00 H new ATOM 511 N GLN A 33 -3.248 -1.219 11.396 1.00 0.00 N ATOM 512 CA GLN A 33 -3.918 -0.454 12.486 1.00 0.00 C ATOM 513 C GLN A 33 -4.617 0.889 12.072 1.00 0.00 C ATOM 514 O GLN A 33 -5.661 1.203 12.643 1.00 0.00 O ATOM 515 CB GLN A 33 -2.937 -0.235 13.663 1.00 0.00 C ATOM 516 CG GLN A 33 -2.351 -1.502 14.328 1.00 0.00 C ATOM 517 CD GLN A 33 -3.332 -2.501 14.915 1.00 0.00 C ATOM 518 OE1 GLN A 33 -3.694 -2.455 16.085 1.00 0.00 O ATOM 519 NE2 GLN A 33 -3.793 -3.451 14.138 1.00 0.00 N ATOM 0 H GLN A 33 -2.236 -1.093 11.360 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.751 -1.086 12.792 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.108 0.375 13.305 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.451 0.344 14.430 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.745 -2.022 13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.678 -1.184 15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.499 -3.500 13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.446 -4.141 14.509 1.00 0.00 H new ATOM 528 N ARG A 34 -4.083 1.655 11.110 1.00 0.00 N ATOM 529 CA ARG A 34 -4.765 2.872 10.572 1.00 0.00 C ATOM 530 C ARG A 34 -6.041 2.599 9.686 1.00 0.00 C ATOM 531 O ARG A 34 -7.013 3.345 9.808 1.00 0.00 O ATOM 532 CB ARG A 34 -3.723 3.729 9.801 1.00 0.00 C ATOM 533 CG ARG A 34 -2.679 4.425 10.708 1.00 0.00 C ATOM 534 CD ARG A 34 -1.373 4.813 9.999 1.00 0.00 C ATOM 535 NE ARG A 34 -1.550 5.945 9.065 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.607 6.456 8.287 1.00 0.00 C ATOM 537 NH1 ARG A 34 0.629 6.054 8.262 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.945 7.422 7.503 1.00 0.00 N ATOM 0 H ARG A 34 -3.179 1.464 10.678 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.158 3.410 11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.201 3.091 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.250 4.488 9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.127 5.323 11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.442 3.763 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.623 5.076 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.991 3.951 9.452 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.477 6.369 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.930 5.293 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.298 6.499 7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.906 7.763 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.251 7.845 6.887 1.00 0.00 H new ATOM 551 N LEU A 35 -6.043 1.567 8.829 1.00 0.00 N ATOM 552 CA LEU A 35 -7.232 1.199 8.003 1.00 0.00 C ATOM 553 C LEU A 35 -8.233 0.136 8.612 1.00 0.00 C ATOM 554 O LEU A 35 -9.367 0.042 8.135 1.00 0.00 O ATOM 555 CB LEU A 35 -6.738 0.653 6.632 1.00 0.00 C ATOM 556 CG LEU A 35 -5.956 1.639 5.738 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.339 0.858 4.573 1.00 0.00 C ATOM 558 CD2 LEU A 35 -6.839 2.769 5.205 1.00 0.00 C ATOM 0 H LEU A 35 -5.236 0.962 8.680 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.805 2.124 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.104 -0.214 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.605 0.300 6.073 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.179 2.107 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.783 1.541 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.665 0.096 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.131 0.381 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.242 3.435 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.650 2.348 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.255 3.331 6.041 1.00 0.00 H new ATOM 570 N GLY A 36 -7.817 -0.678 9.590 1.00 0.00 N ATOM 571 CA GLY A 36 -8.671 -1.740 10.175 1.00 0.00 C ATOM 572 C GLY A 36 -8.550 -3.159 9.582 1.00 0.00 C ATOM 573 O GLY A 36 -9.568 -3.809 9.344 1.00 0.00 O ATOM 0 H GLY A 36 -6.885 -0.626 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.449 -1.801 11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.710 -1.425 10.083 1.00 0.00 H new ATOM 577 N PHE A 37 -7.321 -3.665 9.437 1.00 0.00 N ATOM 578 CA PHE A 37 -7.064 -5.098 9.167 1.00 0.00 C ATOM 579 C PHE A 37 -6.532 -5.744 10.495 1.00 0.00 C ATOM 580 O PHE A 37 -5.401 -5.466 10.909 1.00 0.00 O ATOM 581 CB PHE A 37 -5.996 -5.313 8.062 1.00 0.00 C ATOM 582 CG PHE A 37 -6.295 -4.772 6.665 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.950 -5.581 5.730 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.841 -3.503 6.262 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.130 -5.146 4.418 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.024 -3.069 4.947 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.663 -3.893 4.025 1.00 0.00 C ATOM 0 H PHE A 37 -6.473 -3.101 9.502 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.993 -5.553 8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.065 -4.860 8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.816 -6.384 7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.319 -6.551 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.347 -2.859 6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.633 -5.782 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.670 -2.094 4.646 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.797 -3.562 3.006 1.00 0.00 H new ATOM 597 N ARG A 38 -7.304 -6.628 11.142 1.00 0.00 N ATOM 598 CA ARG A 38 -6.844 -7.288 12.415 1.00 0.00 C ATOM 599 C ARG A 38 -5.921 -8.540 12.190 1.00 0.00 C ATOM 600 O ARG A 38 -6.191 -9.649 12.655 1.00 0.00 O ATOM 601 CB ARG A 38 -8.113 -7.519 13.260 1.00 0.00 C ATOM 602 CG ARG A 38 -7.930 -7.985 14.720 1.00 0.00 C ATOM 603 CD ARG A 38 -6.910 -7.236 15.590 1.00 0.00 C ATOM 604 NE ARG A 38 -7.204 -5.787 15.670 1.00 0.00 N ATOM 605 CZ ARG A 38 -6.416 -4.871 16.206 1.00 0.00 C ATOM 606 NH1 ARG A 38 -5.275 -5.122 16.778 1.00 0.00 N ATOM 607 NH2 ARG A 38 -6.801 -3.644 16.141 1.00 0.00 N ATOM 0 H ARG A 38 -8.233 -6.911 10.830 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.161 -6.646 12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.680 -6.588 13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.727 -8.259 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.900 -7.925 15.214 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.646 -9.037 14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.909 -7.661 16.594 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.910 -7.381 15.181 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.090 -5.468 15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.933 -6.081 16.835 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.722 -4.359 17.170 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.685 -3.410 15.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.222 -2.906 16.542 1.00 0.00 H new ATOM 620 N SER A 39 -4.814 -8.310 11.468 1.00 0.00 N ATOM 621 CA SER A 39 -3.834 -9.327 11.024 1.00 0.00 C ATOM 622 C SER A 39 -2.828 -8.622 10.027 1.00 0.00 C ATOM 623 O SER A 39 -3.262 -8.269 8.923 1.00 0.00 O ATOM 624 CB SER A 39 -4.453 -10.559 10.301 1.00 0.00 C ATOM 625 OG SER A 39 -5.033 -11.469 11.232 1.00 0.00 O ATOM 0 H SER A 39 -4.561 -7.371 11.161 1.00 0.00 H new ATOM 0 HA SER A 39 -3.354 -9.713 11.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.213 -10.225 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.682 -11.069 9.723 1.00 0.00 H new ATOM 0 HG SER A 39 -5.338 -10.978 12.023 1.00 0.00 H new ATOM 631 N PRO A 40 -1.509 -8.449 10.309 1.00 0.00 N ATOM 632 CA PRO A 40 -0.520 -7.929 9.292 1.00 0.00 C ATOM 633 C PRO A 40 -0.426 -8.623 7.904 1.00 0.00 C ATOM 634 O PRO A 40 -0.206 -7.939 6.904 1.00 0.00 O ATOM 635 CB PRO A 40 0.815 -7.960 10.081 1.00 0.00 C ATOM 636 CG PRO A 40 0.377 -7.752 11.549 1.00 0.00 C ATOM 637 CD PRO A 40 -0.925 -8.567 11.662 1.00 0.00 C ATOM 0 HA PRO A 40 -0.843 -6.948 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.336 -8.908 9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.494 -7.174 9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.134 -8.109 12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.210 -6.698 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.729 -9.606 11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.590 -8.162 12.425 1.00 0.00 H new ATOM 645 N ASN A 41 -0.634 -9.949 7.834 1.00 0.00 N ATOM 646 CA ASN A 41 -0.795 -10.677 6.543 1.00 0.00 C ATOM 647 C ASN A 41 -2.076 -10.327 5.700 1.00 0.00 C ATOM 648 O ASN A 41 -1.994 -10.349 4.471 1.00 0.00 O ATOM 649 CB ASN A 41 -0.687 -12.192 6.852 1.00 0.00 C ATOM 650 CG ASN A 41 -0.481 -13.064 5.619 1.00 0.00 C ATOM 651 OD1 ASN A 41 0.414 -12.841 4.815 1.00 0.00 O ATOM 652 ND2 ASN A 41 -1.287 -14.070 5.411 1.00 0.00 N ATOM 0 H ASN A 41 -0.696 -10.550 8.656 1.00 0.00 H new ATOM 0 HA ASN A 41 0.003 -10.343 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.142 -12.353 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.594 -12.513 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.166 -14.658 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.037 -14.268 6.073 1.00 0.00 H new ATOM 659 N ALA A 42 -3.227 -10.011 6.319 1.00 0.00 N ATOM 660 CA ALA A 42 -4.385 -9.416 5.589 1.00 0.00 C ATOM 661 C ALA A 42 -4.120 -8.034 4.897 1.00 0.00 C ATOM 662 O ALA A 42 -4.503 -7.865 3.738 1.00 0.00 O ATOM 663 CB ALA A 42 -5.560 -9.361 6.574 1.00 0.00 C ATOM 0 H ALA A 42 -3.390 -10.152 7.316 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.606 -10.057 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.430 -8.931 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.797 -10.369 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.288 -8.744 7.430 1.00 0.00 H new ATOM 669 N ALA A 43 -3.407 -7.105 5.558 1.00 0.00 N ATOM 670 CA ALA A 43 -2.794 -5.938 4.874 1.00 0.00 C ATOM 671 C ALA A 43 -1.730 -6.285 3.773 1.00 0.00 C ATOM 672 O ALA A 43 -1.893 -5.833 2.639 1.00 0.00 O ATOM 673 CB ALA A 43 -2.234 -5.023 5.972 1.00 0.00 C ATOM 0 H ALA A 43 -3.238 -7.134 6.563 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.566 -5.434 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.772 -4.148 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.044 -4.705 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.488 -5.566 6.553 1.00 0.00 H new ATOM 679 N GLU A 44 -0.703 -7.107 4.073 1.00 0.00 N ATOM 680 CA GLU A 44 0.321 -7.544 3.075 1.00 0.00 C ATOM 681 C GLU A 44 -0.199 -8.188 1.746 1.00 0.00 C ATOM 682 O GLU A 44 0.279 -7.815 0.677 1.00 0.00 O ATOM 683 CB GLU A 44 1.328 -8.480 3.799 1.00 0.00 C ATOM 684 CG GLU A 44 2.645 -8.760 3.040 1.00 0.00 C ATOM 685 CD GLU A 44 3.542 -7.553 2.833 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.486 -6.819 1.852 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.373 -7.347 3.889 1.00 0.00 O ATOM 0 H GLU A 44 -0.552 -7.490 5.006 1.00 0.00 H new ATOM 0 HA GLU A 44 0.789 -6.628 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.573 -8.041 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.834 -9.431 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.205 -9.519 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.401 -9.182 2.065 1.00 0.00 H new ATOM 695 N GLU A 45 -1.171 -9.103 1.807 1.00 0.00 N ATOM 696 CA GLU A 45 -1.867 -9.647 0.604 1.00 0.00 C ATOM 697 C GLU A 45 -2.522 -8.595 -0.369 1.00 0.00 C ATOM 698 O GLU A 45 -2.426 -8.769 -1.585 1.00 0.00 O ATOM 699 CB GLU A 45 -2.925 -10.675 1.091 1.00 0.00 C ATOM 700 CG GLU A 45 -2.320 -11.992 1.631 1.00 0.00 C ATOM 701 CD GLU A 45 -3.320 -12.852 2.383 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.855 -13.848 1.910 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.534 -12.389 3.647 1.00 0.00 O ATOM 0 H GLU A 45 -1.508 -9.497 2.685 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.092 -10.102 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.529 -10.216 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.598 -10.908 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.914 -12.565 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.486 -11.756 2.292 1.00 0.00 H new ATOM 711 N HIS A 46 -3.121 -7.512 0.150 1.00 0.00 N ATOM 712 CA HIS A 46 -3.521 -6.345 -0.687 1.00 0.00 C ATOM 713 C HIS A 46 -2.353 -5.435 -1.205 1.00 0.00 C ATOM 714 O HIS A 46 -2.480 -4.932 -2.322 1.00 0.00 O ATOM 715 CB HIS A 46 -4.593 -5.511 0.048 1.00 0.00 C ATOM 716 CG HIS A 46 -5.972 -6.182 0.092 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.756 -6.411 -1.030 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.580 -6.724 1.231 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.789 -7.094 -0.449 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.779 -7.316 0.900 1.00 0.00 N ATOM 0 H HIS A 46 -3.343 -7.410 1.140 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.932 -6.780 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.258 -5.322 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.686 -4.542 -0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.167 -6.684 2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.608 -7.456 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.464 -7.786 1.492 1.00 0.00 H new ATOM 728 N LEU A 47 -1.225 -5.266 -0.485 1.00 0.00 N ATOM 729 CA LEU A 47 0.044 -4.795 -1.117 1.00 0.00 C ATOM 730 C LEU A 47 0.599 -5.731 -2.266 1.00 0.00 C ATOM 731 O LEU A 47 1.038 -5.197 -3.284 1.00 0.00 O ATOM 732 CB LEU A 47 1.186 -4.534 -0.095 1.00 0.00 C ATOM 733 CG LEU A 47 1.049 -3.268 0.779 1.00 0.00 C ATOM 734 CD1 LEU A 47 0.231 -3.537 2.040 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.443 -2.754 1.179 1.00 0.00 C ATOM 0 H LEU A 47 -1.157 -5.443 0.517 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.257 -3.851 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.258 -5.399 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.127 -4.471 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 47 0.527 -2.515 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.158 -2.622 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.769 -3.870 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.719 -4.311 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.339 -1.861 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.967 -3.525 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.012 -2.511 0.282 1.00 0.00 H new ATOM 747 N LYS A 48 0.543 -7.068 -2.131 1.00 0.00 N ATOM 748 CA LYS A 48 0.852 -8.002 -3.245 1.00 0.00 C ATOM 749 C LYS A 48 -0.083 -7.840 -4.504 1.00 0.00 C ATOM 750 O LYS A 48 0.439 -7.643 -5.599 1.00 0.00 O ATOM 751 CB LYS A 48 0.878 -9.487 -2.810 1.00 0.00 C ATOM 752 CG LYS A 48 1.729 -9.932 -1.612 1.00 0.00 C ATOM 753 CD LYS A 48 3.129 -9.320 -1.506 1.00 0.00 C ATOM 754 CE LYS A 48 4.005 -10.083 -0.508 1.00 0.00 C ATOM 755 NZ LYS A 48 5.218 -9.298 -0.212 1.00 0.00 N ATOM 0 H LYS A 48 0.286 -7.534 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 48 1.859 -7.709 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.151 -9.779 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.205 -10.069 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.183 -9.696 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.832 -11.016 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.604 -9.326 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.048 -8.278 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.448 -10.271 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.280 -11.055 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.811 -9.818 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.752 -9.140 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.947 -8.381 0.197 1.00 0.00 H new ATOM 768 N ALA A 49 -1.418 -7.849 -4.348 1.00 0.00 N ATOM 769 CA ALA A 49 -2.359 -7.475 -5.439 1.00 0.00 C ATOM 770 C ALA A 49 -2.183 -6.055 -6.093 1.00 0.00 C ATOM 771 O ALA A 49 -2.300 -5.928 -7.313 1.00 0.00 O ATOM 772 CB ALA A 49 -3.775 -7.655 -4.866 1.00 0.00 C ATOM 0 H ALA A 49 -1.879 -8.111 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.143 -8.129 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.511 -7.394 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.917 -8.693 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.902 -7.006 -4.000 1.00 0.00 H new ATOM 778 N LEU A 50 -1.890 -5.021 -5.298 1.00 0.00 N ATOM 779 CA LEU A 50 -1.521 -3.665 -5.803 1.00 0.00 C ATOM 780 C LEU A 50 -0.131 -3.558 -6.534 1.00 0.00 C ATOM 781 O LEU A 50 -0.035 -2.878 -7.557 1.00 0.00 O ATOM 782 CB LEU A 50 -1.636 -2.739 -4.566 1.00 0.00 C ATOM 783 CG LEU A 50 -1.786 -1.231 -4.823 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.096 -0.870 -5.529 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.757 -0.505 -3.464 1.00 0.00 C ATOM 0 H LEU A 50 -1.898 -5.086 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.195 -3.374 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.493 -3.067 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.750 -2.889 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.967 -0.927 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.142 0.208 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.141 -1.375 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.939 -1.186 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.862 0.568 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.579 -0.862 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.810 -0.707 -2.964 1.00 0.00 H new ATOM 797 N ALA A 51 0.907 -4.253 -6.052 1.00 0.00 N ATOM 798 CA ALA A 51 2.150 -4.500 -6.826 1.00 0.00 C ATOM 799 C ALA A 51 2.019 -5.384 -8.119 1.00 0.00 C ATOM 800 O ALA A 51 2.663 -5.065 -9.119 1.00 0.00 O ATOM 801 CB ALA A 51 3.165 -5.094 -5.838 1.00 0.00 C ATOM 0 H ALA A 51 0.918 -4.663 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 51 2.467 -3.544 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.102 -5.296 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.343 -4.385 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.771 -6.023 -5.426 1.00 0.00 H new ATOM 807 N ARG A 52 1.185 -6.438 -8.130 1.00 0.00 N ATOM 808 CA ARG A 52 0.807 -7.169 -9.378 1.00 0.00 C ATOM 809 C ARG A 52 -0.033 -6.348 -10.434 1.00 0.00 C ATOM 810 O ARG A 52 0.178 -6.531 -11.632 1.00 0.00 O ATOM 811 CB ARG A 52 0.063 -8.484 -9.027 1.00 0.00 C ATOM 812 CG ARG A 52 0.868 -9.554 -8.268 1.00 0.00 C ATOM 813 CD ARG A 52 1.993 -10.209 -9.076 1.00 0.00 C ATOM 814 NE ARG A 52 2.733 -11.171 -8.220 1.00 0.00 N ATOM 815 CZ ARG A 52 3.752 -10.879 -7.426 1.00 0.00 C ATOM 816 NH1 ARG A 52 4.239 -9.684 -7.259 1.00 0.00 N ATOM 817 NH2 ARG A 52 4.289 -11.852 -6.774 1.00 0.00 N ATOM 0 H ARG A 52 0.750 -6.814 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 52 1.758 -7.371 -9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.813 -8.230 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.301 -8.927 -9.954 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.299 -9.099 -7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.183 -10.332 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.578 -10.724 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.674 -9.446 -9.454 1.00 0.00 H new ATOM 0 HE ARG A 52 2.429 -12.144 -8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.832 -8.893 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.027 -9.538 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.927 -12.799 -6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.076 -11.675 -6.150 1.00 0.00 H new ATOM 830 N LYS A 53 -0.898 -5.415 -10.007 1.00 0.00 N ATOM 831 CA LYS A 53 -1.353 -4.283 -10.870 1.00 0.00 C ATOM 832 C LYS A 53 -0.252 -3.278 -11.418 1.00 0.00 C ATOM 833 O LYS A 53 -0.573 -2.476 -12.297 1.00 0.00 O ATOM 834 CB LYS A 53 -2.408 -3.470 -10.062 1.00 0.00 C ATOM 835 CG LYS A 53 -3.821 -4.065 -9.998 1.00 0.00 C ATOM 836 CD LYS A 53 -4.630 -4.052 -11.301 1.00 0.00 C ATOM 837 CE LYS A 53 -5.098 -2.677 -11.798 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.089 -1.969 -12.612 1.00 0.00 N ATOM 0 H LYS A 53 -1.304 -5.411 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.738 -4.760 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.041 -3.351 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.476 -2.472 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.741 -5.097 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.386 -3.521 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.026 -4.511 -12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.508 -4.683 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.006 -2.803 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.359 -2.059 -10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.972 -1.000 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.181 -2.472 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.403 -1.936 -13.603 1.00 0.00 H new ATOM 851 N GLY A 54 0.985 -3.308 -10.904 1.00 0.00 N ATOM 852 CA GLY A 54 2.081 -2.415 -11.352 1.00 0.00 C ATOM 853 C GLY A 54 2.229 -1.022 -10.709 1.00 0.00 C ATOM 854 O GLY A 54 2.971 -0.209 -11.260 1.00 0.00 O ATOM 0 H GLY A 54 1.262 -3.952 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.020 -2.947 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.967 -2.270 -12.426 1.00 0.00 H new ATOM 858 N VAL A 55 1.559 -0.740 -9.582 1.00 0.00 N ATOM 859 CA VAL A 55 1.372 0.662 -9.092 1.00 0.00 C ATOM 860 C VAL A 55 2.047 1.044 -7.720 1.00 0.00 C ATOM 861 O VAL A 55 1.998 2.215 -7.335 1.00 0.00 O ATOM 862 CB VAL A 55 -0.127 1.118 -9.171 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.684 1.041 -10.611 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.094 0.403 -8.224 1.00 0.00 C ATOM 0 H VAL A 55 1.134 -1.450 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 55 1.954 1.246 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.080 2.154 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.724 1.366 -10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.098 1.689 -11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.623 0.014 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.100 0.798 -8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.090 -0.666 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.781 0.567 -7.193 1.00 0.00 H new ATOM 874 N ILE A 56 2.701 0.109 -7.014 1.00 0.00 N ATOM 875 CA ILE A 56 3.494 0.406 -5.784 1.00 0.00 C ATOM 876 C ILE A 56 4.823 -0.439 -5.762 1.00 0.00 C ATOM 877 O ILE A 56 4.817 -1.637 -6.064 1.00 0.00 O ATOM 878 CB ILE A 56 2.697 0.228 -4.436 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.158 -1.199 -4.180 1.00 0.00 C ATOM 880 CG2 ILE A 56 1.555 1.266 -4.324 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.965 -1.531 -2.700 1.00 0.00 C ATOM 0 H ILE A 56 2.703 -0.878 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 56 3.735 1.467 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 56 3.434 0.404 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.205 -1.315 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.847 -1.921 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.022 1.120 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.974 2.272 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.864 1.138 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.585 -2.548 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.920 -1.449 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.252 -0.833 -2.261 1.00 0.00 H new ATOM 893 N GLU A 57 5.947 0.178 -5.371 1.00 0.00 N ATOM 894 CA GLU A 57 7.256 -0.525 -5.261 1.00 0.00 C ATOM 895 C GLU A 57 7.675 -0.674 -3.768 1.00 0.00 C ATOM 896 O GLU A 57 8.076 0.292 -3.112 1.00 0.00 O ATOM 897 CB GLU A 57 8.282 0.248 -6.124 1.00 0.00 C ATOM 898 CG GLU A 57 9.545 -0.541 -6.527 1.00 0.00 C ATOM 899 CD GLU A 57 10.754 -0.411 -5.620 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.657 0.391 -5.829 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.737 -1.290 -4.576 1.00 0.00 O ATOM 0 H GLU A 57 5.987 1.166 -5.122 1.00 0.00 H new ATOM 0 HA GLU A 57 7.194 -1.545 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.783 0.588 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.591 1.139 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.280 -1.596 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.837 -0.225 -7.529 1.00 0.00 H new ATOM 909 N ILE A 58 7.603 -1.908 -3.257 1.00 0.00 N ATOM 910 CA ILE A 58 8.047 -2.258 -1.877 1.00 0.00 C ATOM 911 C ILE A 58 9.520 -2.832 -1.948 1.00 0.00 C ATOM 912 O ILE A 58 9.846 -3.623 -2.839 1.00 0.00 O ATOM 913 CB ILE A 58 7.106 -3.315 -1.178 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.572 -3.086 -1.306 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.410 -3.373 0.352 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.950 -3.675 -2.576 1.00 0.00 C ATOM 0 H ILE A 58 7.236 -2.704 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 58 8.005 -1.349 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 58 7.336 -4.235 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.078 -3.522 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.373 -2.015 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.756 -4.105 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.450 -3.662 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.237 -2.392 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.879 -3.470 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.414 -3.222 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.114 -4.752 -2.595 1.00 0.00 H new ATOM 928 N VAL A 59 10.381 -2.439 -1.004 1.00 0.00 N ATOM 929 CA VAL A 59 11.753 -3.022 -0.873 1.00 0.00 C ATOM 930 C VAL A 59 11.770 -4.295 0.032 1.00 0.00 C ATOM 931 O VAL A 59 11.213 -4.303 1.133 1.00 0.00 O ATOM 932 CB VAL A 59 12.747 -1.908 -0.413 1.00 0.00 C ATOM 933 CG1 VAL A 59 12.540 -1.347 1.000 1.00 0.00 C ATOM 934 CG2 VAL A 59 14.225 -2.338 -0.551 1.00 0.00 C ATOM 0 H VAL A 59 10.168 -1.721 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 59 12.087 -3.378 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 59 12.508 -1.101 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.290 -0.583 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.545 -0.908 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.637 -2.152 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.873 -1.527 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.406 -3.221 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.441 -2.569 -1.594 1.00 0.00 H new ATOM 944 N SER A 60 12.472 -5.349 -0.408 1.00 0.00 N ATOM 945 CA SER A 60 12.749 -6.538 0.448 1.00 0.00 C ATOM 946 C SER A 60 13.970 -6.319 1.406 1.00 0.00 C ATOM 947 O SER A 60 15.075 -6.813 1.165 1.00 0.00 O ATOM 948 CB SER A 60 12.932 -7.739 -0.510 1.00 0.00 C ATOM 949 OG SER A 60 13.218 -8.939 0.212 1.00 0.00 O ATOM 0 H SER A 60 12.863 -5.414 -1.348 1.00 0.00 H new ATOM 0 HA SER A 60 11.918 -6.726 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.028 -7.875 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.742 -7.530 -1.208 1.00 0.00 H new ATOM 0 HG SER A 60 13.327 -9.682 -0.418 1.00 0.00 H new ATOM 955 N GLY A 61 13.745 -5.575 2.494 1.00 0.00 N ATOM 956 CA GLY A 61 14.826 -5.201 3.439 1.00 0.00 C ATOM 957 C GLY A 61 14.379 -4.208 4.521 1.00 0.00 C ATOM 958 O GLY A 61 14.230 -4.587 5.683 1.00 0.00 O ATOM 0 H GLY A 61 12.826 -5.215 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.205 -6.103 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.653 -4.766 2.878 1.00 0.00 H new ATOM 962 N ALA A 62 14.158 -2.943 4.139 1.00 0.00 N ATOM 963 CA ALA A 62 13.517 -1.950 5.037 1.00 0.00 C ATOM 964 C ALA A 62 11.969 -2.144 5.149 1.00 0.00 C ATOM 965 O ALA A 62 11.276 -2.312 4.143 1.00 0.00 O ATOM 966 CB ALA A 62 13.848 -0.553 4.487 1.00 0.00 C ATOM 0 H ALA A 62 14.409 -2.576 3.221 1.00 0.00 H new ATOM 0 HA ALA A 62 13.905 -2.081 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.392 0.206 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.929 -0.414 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.458 -0.459 3.474 1.00 0.00 H new ATOM 972 N SER A 63 11.436 -2.080 6.374 1.00 0.00 N ATOM 973 CA SER A 63 10.000 -2.380 6.642 1.00 0.00 C ATOM 974 C SER A 63 8.884 -1.450 6.040 1.00 0.00 C ATOM 975 O SER A 63 7.717 -1.834 6.102 1.00 0.00 O ATOM 976 CB SER A 63 9.829 -2.455 8.188 1.00 0.00 C ATOM 977 OG SER A 63 10.681 -3.433 8.792 1.00 0.00 O ATOM 0 H SER A 63 11.968 -1.824 7.206 1.00 0.00 H new ATOM 0 HA SER A 63 9.821 -3.311 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.042 -1.477 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.791 -2.689 8.423 1.00 0.00 H new ATOM 0 HG SER A 63 10.536 -3.439 9.761 1.00 0.00 H new ATOM 983 N ARG A 64 9.216 -0.276 5.485 1.00 0.00 N ATOM 984 CA ARG A 64 8.238 0.588 4.772 1.00 0.00 C ATOM 985 C ARG A 64 8.184 0.256 3.240 1.00 0.00 C ATOM 986 O ARG A 64 7.368 -0.568 2.819 1.00 0.00 O ATOM 987 CB ARG A 64 8.515 2.077 5.136 1.00 0.00 C ATOM 988 CG ARG A 64 8.029 2.462 6.549 1.00 0.00 C ATOM 989 CD ARG A 64 8.001 3.975 6.784 1.00 0.00 C ATOM 990 NE ARG A 64 7.440 4.246 8.135 1.00 0.00 N ATOM 991 CZ ARG A 64 7.586 5.384 8.801 1.00 0.00 C ATOM 992 NH1 ARG A 64 8.216 6.428 8.347 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.066 5.466 9.978 1.00 0.00 N ATOM 0 H ARG A 64 10.161 0.108 5.512 1.00 0.00 H new ATOM 0 HA ARG A 64 7.221 0.381 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.586 2.268 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.026 2.720 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.029 2.058 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.680 1.997 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.007 4.387 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.396 4.463 6.020 1.00 0.00 H new ATOM 0 HE ARG A 64 6.904 3.502 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.639 6.405 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.287 7.270 8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.561 4.671 10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.159 6.326 10.518 1.00 0.00 H new ATOM 1006 N GLY A 65 9.042 0.872 2.427 1.00 0.00 N ATOM 1007 CA GLY A 65 8.975 0.761 0.952 1.00 0.00 C ATOM 1008 C GLY A 65 9.769 1.847 0.204 1.00 0.00 C ATOM 1009 O GLY A 65 10.598 2.547 0.791 1.00 0.00 O ATOM 0 H GLY A 65 9.804 1.462 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.350 -0.218 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.931 0.810 0.642 1.00 0.00 H new ATOM 1013 N ILE A 66 9.509 1.986 -1.101 1.00 0.00 N ATOM 1014 CA ILE A 66 10.190 3.015 -1.954 1.00 0.00 C ATOM 1015 C ILE A 66 9.144 4.053 -2.485 1.00 0.00 C ATOM 1016 O ILE A 66 9.156 5.194 -2.024 1.00 0.00 O ATOM 1017 CB ILE A 66 11.078 2.381 -3.077 1.00 0.00 C ATOM 1018 CG1 ILE A 66 12.122 1.344 -2.586 1.00 0.00 C ATOM 1019 CG2 ILE A 66 11.807 3.433 -3.950 1.00 0.00 C ATOM 1020 CD1 ILE A 66 13.175 1.819 -1.588 1.00 0.00 C ATOM 0 H ILE A 66 8.836 1.409 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 66 10.898 3.562 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 66 10.341 1.850 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.582 0.512 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.641 0.950 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.404 2.926 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.072 4.074 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.458 4.040 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.836 0.990 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.759 2.626 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.683 2.181 -0.685 1.00 0.00 H new ATOM 1032 N ARG A 67 8.268 3.699 -3.446 1.00 0.00 N ATOM 1033 CA ARG A 67 7.506 4.712 -4.232 1.00 0.00 C ATOM 1034 C ARG A 67 6.115 4.223 -4.747 1.00 0.00 C ATOM 1035 O ARG A 67 5.836 3.026 -4.859 1.00 0.00 O ATOM 1036 CB ARG A 67 8.402 5.268 -5.383 1.00 0.00 C ATOM 1037 CG ARG A 67 8.847 4.263 -6.461 1.00 0.00 C ATOM 1038 CD ARG A 67 9.772 4.918 -7.495 1.00 0.00 C ATOM 1039 NE ARG A 67 10.265 3.859 -8.403 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.085 4.039 -9.423 1.00 0.00 C ATOM 1041 NH1 ARG A 67 11.568 5.192 -9.785 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.425 2.997 -10.099 1.00 0.00 N ATOM 0 H ARG A 67 8.066 2.732 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 67 7.259 5.521 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.861 6.077 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.295 5.706 -4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.362 3.426 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.970 3.855 -6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.235 5.682 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.607 5.414 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 67 9.944 2.907 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.317 6.035 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.197 5.253 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.063 2.080 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.056 3.089 -10.895 1.00 0.00 H new ATOM 1055 N LEU A 68 5.261 5.189 -5.105 1.00 0.00 N ATOM 1056 CA LEU A 68 4.042 4.935 -5.928 1.00 0.00 C ATOM 1057 C LEU A 68 4.411 5.028 -7.446 1.00 0.00 C ATOM 1058 O LEU A 68 4.912 6.051 -7.923 1.00 0.00 O ATOM 1059 CB LEU A 68 2.995 5.972 -5.456 1.00 0.00 C ATOM 1060 CG LEU A 68 1.533 5.742 -5.895 1.00 0.00 C ATOM 1061 CD1 LEU A 68 0.614 6.607 -5.009 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.262 6.115 -7.354 1.00 0.00 C ATOM 0 H LEU A 68 5.382 6.167 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 68 3.625 3.936 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.020 6.007 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.306 6.954 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 68 1.338 4.675 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.424 6.457 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.738 6.319 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.877 7.658 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.215 5.926 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.484 7.171 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.895 5.514 -8.007 1.00 0.00 H new ATOM 1074 N LEU A 69 4.177 3.940 -8.183 1.00 0.00 N ATOM 1075 CA LEU A 69 4.494 3.849 -9.628 1.00 0.00 C ATOM 1076 C LEU A 69 3.246 4.286 -10.480 1.00 0.00 C ATOM 1077 O LEU A 69 2.198 3.639 -10.458 1.00 0.00 O ATOM 1078 CB LEU A 69 4.875 2.388 -9.990 1.00 0.00 C ATOM 1079 CG LEU A 69 6.150 1.799 -9.350 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.181 0.283 -9.626 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.427 2.431 -9.902 1.00 0.00 C ATOM 0 H LEU A 69 3.761 3.090 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 69 5.332 4.511 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.037 1.746 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.985 2.329 -11.073 1.00 0.00 H new ATOM 0 HG LEU A 69 6.117 2.010 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.077 -0.150 -9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.297 -0.184 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.191 0.109 -10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.294 1.981 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.482 2.261 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.417 3.503 -9.705 1.00 0.00 H new