USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 53 THR OG1 : rot 180:sc= 0.12 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.0627 K(o=0.057,f=-0.5) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.0212 (180deg=-0.495) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0805 X(o=-0.081,f=-0.43) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 11 HIS : no HD1:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 12 THR OG1 : rot -108:sc= 0.123 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 23 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.13) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.77) USER MOD Single : A 27 HIS : no HE2:sc= -0.0239 K(o=-0.024,f=-1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.458 K(o=-0.46,f=-2.8!) USER MOD Single : A 57 CYS SG : rot 72:sc= -0.0852 USER MOD Single : A 63 THR OG1 : rot 115:sc= 0.337 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 162:sc= -0.0725 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.833 -0.943 0.230 1.00 0.00 N ATOM 2 CA MET A 1 1.824 -0.515 -0.785 1.00 0.00 C ATOM 3 C MET A 1 2.931 -1.581 -0.893 1.00 0.00 C ATOM 4 O MET A 1 3.907 -1.559 -0.150 1.00 0.00 O ATOM 5 CB MET A 1 2.396 0.887 -0.412 1.00 0.00 C ATOM 6 CG MET A 1 3.414 1.478 -1.406 1.00 0.00 C ATOM 7 SD MET A 1 4.080 3.062 -0.833 1.00 0.00 S ATOM 8 CE MET A 1 5.388 3.382 -2.020 1.00 0.00 C ATOM 0 H1 MET A 1 0.083 -0.226 0.307 1.00 0.00 H new ATOM 0 H2 MET A 1 0.415 -1.852 -0.054 1.00 0.00 H new ATOM 0 H3 MET A 1 1.304 -1.051 1.151 1.00 0.00 H new ATOM 0 HA MET A 1 1.348 -0.422 -1.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.564 1.584 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.870 0.817 0.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.232 0.772 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.936 1.615 -2.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.429 4.449 -2.237 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.343 3.059 -1.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.188 2.832 -2.939 1.00 0.00 H new ATOM 18 N GLN A 2 2.728 -2.548 -1.794 1.00 0.00 N ATOM 19 CA GLN A 2 3.629 -3.705 -1.971 1.00 0.00 C ATOM 20 C GLN A 2 4.515 -3.505 -3.213 1.00 0.00 C ATOM 21 O GLN A 2 4.002 -3.401 -4.331 1.00 0.00 O ATOM 22 CB GLN A 2 2.775 -5.002 -2.104 1.00 0.00 C ATOM 23 CG GLN A 2 3.575 -6.296 -2.359 1.00 0.00 C ATOM 24 CD GLN A 2 2.706 -7.557 -2.453 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.653 -7.655 -1.826 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.146 -8.535 -3.230 1.00 0.00 N ATOM 0 H GLN A 2 1.929 -2.555 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 2 4.283 -3.796 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.192 -5.129 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.065 -4.867 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.139 -6.186 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.301 -6.426 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.023 -8.427 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.608 -9.397 -3.320 1.00 0.00 H new ATOM 35 N LEU A 3 5.847 -3.453 -3.011 1.00 0.00 N ATOM 36 CA LEU A 3 6.830 -3.366 -4.108 1.00 0.00 C ATOM 37 C LEU A 3 7.978 -4.375 -3.882 1.00 0.00 C ATOM 38 O LEU A 3 8.151 -4.913 -2.785 1.00 0.00 O ATOM 39 CB LEU A 3 7.340 -1.892 -4.297 1.00 0.00 C ATOM 40 CG LEU A 3 7.899 -1.114 -3.045 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.287 -1.626 -2.572 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.954 0.404 -3.329 1.00 0.00 C ATOM 0 H LEU A 3 6.271 -3.470 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 3 6.342 -3.641 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.126 -1.909 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.516 -1.308 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 3 7.203 -1.307 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.613 -1.048 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.212 -2.678 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.011 -1.512 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.342 0.924 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.607 0.591 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.952 0.769 -3.553 1.00 0.00 H new ATOM 54 N PHE A 4 8.762 -4.614 -4.937 1.00 0.00 N ATOM 55 CA PHE A 4 9.872 -5.585 -4.938 1.00 0.00 C ATOM 56 C PHE A 4 11.205 -4.841 -4.771 1.00 0.00 C ATOM 57 O PHE A 4 11.369 -3.724 -5.279 1.00 0.00 O ATOM 58 CB PHE A 4 9.870 -6.387 -6.272 1.00 0.00 C ATOM 59 CG PHE A 4 8.490 -6.937 -6.655 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.017 -8.130 -6.117 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.662 -6.240 -7.547 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.769 -8.619 -6.460 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.418 -6.729 -7.888 1.00 0.00 C ATOM 64 CZ PHE A 4 5.970 -7.913 -7.344 1.00 0.00 C ATOM 0 H PHE A 4 8.646 -4.134 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 4 9.745 -6.281 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.231 -5.743 -7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.572 -7.216 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.633 -8.682 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.003 -5.308 -7.973 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.418 -9.550 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.795 -6.184 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.993 -8.291 -7.608 1.00 0.00 H new ATOM 74 N VAL A 5 12.129 -5.449 -4.015 1.00 0.00 N ATOM 75 CA VAL A 5 13.517 -4.985 -3.886 1.00 0.00 C ATOM 76 C VAL A 5 14.464 -6.152 -4.244 1.00 0.00 C ATOM 77 O VAL A 5 14.554 -7.162 -3.522 1.00 0.00 O ATOM 78 CB VAL A 5 13.825 -4.408 -2.452 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.325 -4.092 -2.260 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.964 -3.145 -2.161 1.00 0.00 C ATOM 0 H VAL A 5 11.931 -6.287 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 5 13.677 -4.158 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 5 13.559 -5.186 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.488 -3.697 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.908 -5.003 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.638 -3.352 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.197 -2.768 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.185 -2.376 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.907 -3.406 -2.212 1.00 0.00 H new ATOM 90 N ARG A 6 15.120 -5.999 -5.404 1.00 0.00 N ATOM 91 CA ARG A 6 16.077 -6.952 -5.959 1.00 0.00 C ATOM 92 C ARG A 6 17.455 -6.808 -5.277 1.00 0.00 C ATOM 93 O ARG A 6 18.251 -5.930 -5.604 1.00 0.00 O ATOM 94 CB ARG A 6 16.171 -6.742 -7.503 1.00 0.00 C ATOM 95 CG ARG A 6 17.276 -7.550 -8.221 1.00 0.00 C ATOM 96 CD ARG A 6 17.244 -7.372 -9.752 1.00 0.00 C ATOM 97 NE ARG A 6 18.522 -7.756 -10.380 1.00 0.00 N ATOM 98 CZ ARG A 6 18.795 -8.933 -10.953 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.891 -9.901 -10.996 1.00 0.00 N ATOM 100 NH2 ARG A 6 19.988 -9.130 -11.486 1.00 0.00 N ATOM 0 H ARG A 6 14.991 -5.179 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 6 15.734 -7.968 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.210 -7.002 -7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.336 -5.682 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.250 -7.240 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.162 -8.607 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.439 -7.976 -10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.020 -6.332 -9.991 1.00 0.00 H new ATOM 0 HE ARG A 6 19.267 -7.059 -10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.968 -9.755 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.118 -10.792 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.688 -8.389 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.209 -10.023 -11.926 1.00 0.00 H new ATOM 114 N ALA A 7 17.673 -7.646 -4.266 1.00 0.00 N ATOM 115 CA ALA A 7 18.996 -7.916 -3.673 1.00 0.00 C ATOM 116 C ALA A 7 19.570 -9.177 -4.343 1.00 0.00 C ATOM 117 O ALA A 7 18.993 -9.656 -5.329 1.00 0.00 O ATOM 118 CB ALA A 7 18.881 -8.086 -2.147 1.00 0.00 C ATOM 0 H ALA A 7 16.922 -8.172 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 7 19.669 -7.076 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.867 -8.285 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.477 -7.173 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.217 -8.921 -1.923 1.00 0.00 H new ATOM 124 N GLN A 8 20.740 -9.657 -3.859 1.00 0.00 N ATOM 125 CA GLN A 8 21.294 -11.000 -4.216 1.00 0.00 C ATOM 126 C GLN A 8 20.181 -12.096 -4.232 1.00 0.00 C ATOM 127 O GLN A 8 20.204 -13.006 -5.063 1.00 0.00 O ATOM 128 CB GLN A 8 22.443 -11.384 -3.229 1.00 0.00 C ATOM 129 CG GLN A 8 22.055 -11.318 -1.739 1.00 0.00 C ATOM 130 CD GLN A 8 23.150 -11.766 -0.765 1.00 0.00 C ATOM 131 OE1 GLN A 8 24.344 -11.651 -1.039 1.00 0.00 O ATOM 132 NE2 GLN A 8 22.742 -12.272 0.391 1.00 0.00 N ATOM 0 H GLN A 8 21.330 -9.133 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 8 21.702 -10.942 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.780 -12.395 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.290 -10.719 -3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.772 -10.293 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.173 -11.938 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 8 21.745 -12.354 0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.426 -12.579 1.083 1.00 0.00 H new ATOM 141 N GLU A 9 19.215 -11.973 -3.299 1.00 0.00 N ATOM 142 CA GLU A 9 17.928 -12.694 -3.343 1.00 0.00 C ATOM 143 C GLU A 9 16.804 -11.666 -3.617 1.00 0.00 C ATOM 144 O GLU A 9 16.808 -10.572 -3.022 1.00 0.00 O ATOM 145 CB GLU A 9 17.662 -13.408 -1.991 1.00 0.00 C ATOM 146 CG GLU A 9 18.763 -14.389 -1.541 1.00 0.00 C ATOM 147 CD GLU A 9 18.916 -15.614 -2.455 1.00 0.00 C ATOM 148 OE1 GLU A 9 18.027 -16.493 -2.437 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.918 -15.715 -3.192 1.00 0.00 O ATOM 0 H GLU A 9 19.308 -11.364 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 9 17.956 -13.447 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.533 -12.651 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.720 -13.952 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.714 -13.858 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.542 -14.728 -0.529 1.00 0.00 H new ATOM 156 N LEU A 10 15.857 -11.998 -4.516 1.00 0.00 N ATOM 157 CA LEU A 10 14.661 -11.157 -4.755 1.00 0.00 C ATOM 158 C LEU A 10 13.735 -11.262 -3.528 1.00 0.00 C ATOM 159 O LEU A 10 13.348 -12.370 -3.132 1.00 0.00 O ATOM 160 CB LEU A 10 13.930 -11.595 -6.079 1.00 0.00 C ATOM 161 CG LEU A 10 12.756 -10.683 -6.643 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.431 -10.817 -5.848 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.191 -9.200 -6.742 1.00 0.00 C ATOM 0 H LEU A 10 15.894 -12.841 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 10 14.955 -10.116 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.685 -11.681 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.524 -12.593 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 10 12.550 -11.055 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.675 -10.167 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.087 -11.851 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.598 -10.528 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.366 -8.604 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.468 -8.835 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.047 -9.116 -7.412 1.00 0.00 H new ATOM 175 N HIS A 11 13.414 -10.111 -2.920 1.00 0.00 N ATOM 176 CA HIS A 11 12.483 -10.025 -1.780 1.00 0.00 C ATOM 177 C HIS A 11 11.376 -9.011 -2.090 1.00 0.00 C ATOM 178 O HIS A 11 11.563 -8.105 -2.907 1.00 0.00 O ATOM 179 CB HIS A 11 13.231 -9.622 -0.483 1.00 0.00 C ATOM 180 CG HIS A 11 14.262 -10.626 -0.034 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.927 -11.833 0.544 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.617 -10.613 -0.098 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.023 -12.509 0.812 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.057 -11.791 0.433 1.00 0.00 N ATOM 0 H HIS A 11 13.793 -9.208 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 11 12.037 -11.007 -1.622 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.720 -8.661 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.503 -9.482 0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.232 -9.819 -0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.066 -13.488 1.266 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.034 -12.070 0.522 1.00 0.00 H new ATOM 193 N THR A 12 10.217 -9.193 -1.445 1.00 0.00 N ATOM 194 CA THR A 12 9.061 -8.292 -1.569 1.00 0.00 C ATOM 195 C THR A 12 8.821 -7.602 -0.212 1.00 0.00 C ATOM 196 O THR A 12 9.007 -8.222 0.845 1.00 0.00 O ATOM 197 CB THR A 12 7.790 -9.090 -2.010 1.00 0.00 C ATOM 198 OG1 THR A 12 8.093 -9.856 -3.183 1.00 0.00 O ATOM 199 CG2 THR A 12 6.599 -8.169 -2.315 1.00 0.00 C ATOM 0 H THR A 12 10.052 -9.978 -0.815 1.00 0.00 H new ATOM 0 HA THR A 12 9.264 -7.539 -2.331 1.00 0.00 H new ATOM 0 HB THR A 12 7.509 -9.739 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.650 -9.454 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.742 -8.771 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.345 -7.596 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.865 -7.486 -3.122 1.00 0.00 H new ATOM 207 N PHE A 13 8.418 -6.316 -0.250 1.00 0.00 N ATOM 208 CA PHE A 13 8.256 -5.473 0.946 1.00 0.00 C ATOM 209 C PHE A 13 6.956 -4.664 0.847 1.00 0.00 C ATOM 210 O PHE A 13 6.688 -4.017 -0.178 1.00 0.00 O ATOM 211 CB PHE A 13 9.456 -4.502 1.111 1.00 0.00 C ATOM 212 CG PHE A 13 10.788 -5.205 1.366 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.142 -5.623 2.645 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.678 -5.458 0.324 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.341 -6.267 2.871 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.877 -6.101 0.555 1.00 0.00 C ATOM 217 CZ PHE A 13 13.208 -6.501 1.824 1.00 0.00 C ATOM 0 H PHE A 13 8.195 -5.832 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 13 8.216 -6.128 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.544 -3.892 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.250 -3.823 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.470 -5.441 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.426 -5.146 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.601 -6.588 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.555 -6.289 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.149 -7.000 2.004 1.00 0.00 H new ATOM 227 N GLU A 14 6.148 -4.727 1.910 1.00 0.00 N ATOM 228 CA GLU A 14 5.023 -3.811 2.107 1.00 0.00 C ATOM 229 C GLU A 14 5.543 -2.602 2.911 1.00 0.00 C ATOM 230 O GLU A 14 5.987 -2.730 4.060 1.00 0.00 O ATOM 231 CB GLU A 14 3.831 -4.531 2.799 1.00 0.00 C ATOM 232 CG GLU A 14 4.172 -5.250 4.122 1.00 0.00 C ATOM 233 CD GLU A 14 2.963 -5.959 4.750 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.207 -5.308 5.503 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.755 -7.162 4.489 1.00 0.00 O ATOM 0 H GLU A 14 6.256 -5.414 2.656 1.00 0.00 H new ATOM 0 HA GLU A 14 4.633 -3.461 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.049 -3.797 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.416 -5.261 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.960 -5.981 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.569 -4.524 4.832 1.00 0.00 H new ATOM 242 N VAL A 15 5.529 -1.434 2.261 1.00 0.00 N ATOM 243 CA VAL A 15 6.185 -0.212 2.745 1.00 0.00 C ATOM 244 C VAL A 15 5.140 0.875 3.049 1.00 0.00 C ATOM 245 O VAL A 15 4.041 0.864 2.489 1.00 0.00 O ATOM 246 CB VAL A 15 7.220 0.298 1.682 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.376 -0.722 1.506 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.540 0.595 0.325 1.00 0.00 C ATOM 0 H VAL A 15 5.053 -1.308 1.368 1.00 0.00 H new ATOM 0 HA VAL A 15 6.717 -0.440 3.669 1.00 0.00 H new ATOM 0 HB VAL A 15 7.639 1.233 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.082 -0.348 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.889 -0.859 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.971 -1.677 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.287 0.946 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.075 -0.314 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.778 1.363 0.460 1.00 0.00 H new ATOM 258 N THR A 16 5.501 1.808 3.938 1.00 0.00 N ATOM 259 CA THR A 16 4.557 2.808 4.476 1.00 0.00 C ATOM 260 C THR A 16 4.377 4.036 3.530 1.00 0.00 C ATOM 261 O THR A 16 3.483 4.865 3.749 1.00 0.00 O ATOM 262 CB THR A 16 5.044 3.278 5.898 1.00 0.00 C ATOM 263 OG1 THR A 16 5.603 2.161 6.617 1.00 0.00 O ATOM 264 CG2 THR A 16 3.907 3.884 6.750 1.00 0.00 C ATOM 0 H THR A 16 6.448 1.895 4.306 1.00 0.00 H new ATOM 0 HA THR A 16 3.581 2.330 4.555 1.00 0.00 H new ATOM 0 HB THR A 16 5.792 4.053 5.730 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.906 2.459 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.302 4.190 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.491 4.751 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.125 3.139 6.896 1.00 0.00 H new ATOM 272 N GLY A 17 5.223 4.151 2.474 1.00 0.00 N ATOM 273 CA GLY A 17 5.216 5.340 1.597 1.00 0.00 C ATOM 274 C GLY A 17 6.132 6.431 2.147 1.00 0.00 C ATOM 275 O GLY A 17 6.994 6.960 1.437 1.00 0.00 O ATOM 0 H GLY A 17 5.909 3.442 2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.540 5.059 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.200 5.724 1.507 1.00 0.00 H new ATOM 279 N GLN A 18 5.940 6.749 3.445 1.00 0.00 N ATOM 280 CA GLN A 18 6.879 7.572 4.240 1.00 0.00 C ATOM 281 C GLN A 18 8.086 6.722 4.721 1.00 0.00 C ATOM 282 O GLN A 18 8.911 7.191 5.518 1.00 0.00 O ATOM 283 CB GLN A 18 6.127 8.222 5.434 1.00 0.00 C ATOM 284 CG GLN A 18 5.460 7.226 6.403 1.00 0.00 C ATOM 285 CD GLN A 18 4.583 7.905 7.466 1.00 0.00 C ATOM 286 OE1 GLN A 18 3.390 8.119 7.260 1.00 0.00 O ATOM 287 NE2 GLN A 18 5.170 8.258 8.600 1.00 0.00 N ATOM 0 H GLN A 18 5.125 6.441 3.975 1.00 0.00 H new ATOM 0 HA GLN A 18 7.276 8.369 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.830 8.837 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.362 8.891 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.850 6.527 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.233 6.641 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.162 8.067 8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.630 8.721 9.331 1.00 0.00 H new ATOM 296 N GLU A 19 8.156 5.467 4.228 1.00 0.00 N ATOM 297 CA GLU A 19 9.319 4.580 4.358 1.00 0.00 C ATOM 298 C GLU A 19 10.543 5.249 3.698 1.00 0.00 C ATOM 299 O GLU A 19 10.475 5.580 2.512 1.00 0.00 O ATOM 300 CB GLU A 19 9.001 3.238 3.630 1.00 0.00 C ATOM 301 CG GLU A 19 9.881 2.034 4.044 1.00 0.00 C ATOM 302 CD GLU A 19 9.370 1.336 5.317 1.00 0.00 C ATOM 303 OE1 GLU A 19 8.357 0.615 5.227 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.954 1.514 6.406 1.00 0.00 O ATOM 0 H GLU A 19 7.384 5.038 3.718 1.00 0.00 H new ATOM 0 HA GLU A 19 9.536 4.391 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.957 2.983 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.108 3.392 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.912 1.313 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.903 2.375 4.207 1.00 0.00 H new ATOM 311 N THR A 20 11.632 5.486 4.447 1.00 0.00 N ATOM 312 CA THR A 20 12.849 6.085 3.861 1.00 0.00 C ATOM 313 C THR A 20 13.653 5.024 3.099 1.00 0.00 C ATOM 314 O THR A 20 13.400 3.822 3.226 1.00 0.00 O ATOM 315 CB THR A 20 13.767 6.775 4.923 1.00 0.00 C ATOM 316 OG1 THR A 20 14.305 5.808 5.827 1.00 0.00 O ATOM 317 CG2 THR A 20 13.021 7.860 5.712 1.00 0.00 C ATOM 0 H THR A 20 11.699 5.277 5.443 1.00 0.00 H new ATOM 0 HA THR A 20 12.509 6.862 3.176 1.00 0.00 H new ATOM 0 HB THR A 20 14.580 7.255 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.878 6.257 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.697 8.312 6.438 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.661 8.626 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.175 7.413 6.234 1.00 0.00 H new ATOM 325 N VAL A 21 14.629 5.484 2.310 1.00 0.00 N ATOM 326 CA VAL A 21 15.568 4.606 1.598 1.00 0.00 C ATOM 327 C VAL A 21 16.484 3.884 2.605 1.00 0.00 C ATOM 328 O VAL A 21 16.853 2.733 2.393 1.00 0.00 O ATOM 329 CB VAL A 21 16.383 5.439 0.556 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.487 4.610 -0.139 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.423 6.077 -0.476 1.00 0.00 C ATOM 0 H VAL A 21 14.792 6.477 2.146 1.00 0.00 H new ATOM 0 HA VAL A 21 15.016 3.840 1.053 1.00 0.00 H new ATOM 0 HB VAL A 21 16.899 6.231 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.020 5.239 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.186 4.236 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.034 3.770 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.998 6.656 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.873 5.292 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.721 6.733 0.038 1.00 0.00 H new ATOM 341 N ALA A 22 16.793 4.564 3.722 1.00 0.00 N ATOM 342 CA ALA A 22 17.568 3.990 4.840 1.00 0.00 C ATOM 343 C ALA A 22 16.794 2.836 5.500 1.00 0.00 C ATOM 344 O ALA A 22 17.394 1.837 5.895 1.00 0.00 O ATOM 345 CB ALA A 22 17.905 5.077 5.874 1.00 0.00 C ATOM 0 H ALA A 22 16.512 5.532 3.877 1.00 0.00 H new ATOM 0 HA ALA A 22 18.501 3.591 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.476 4.637 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.496 5.860 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.982 5.505 6.266 1.00 0.00 H new ATOM 351 N GLN A 23 15.449 2.981 5.580 1.00 0.00 N ATOM 352 CA GLN A 23 14.548 1.928 6.096 1.00 0.00 C ATOM 353 C GLN A 23 14.485 0.739 5.131 1.00 0.00 C ATOM 354 O GLN A 23 14.494 -0.402 5.578 1.00 0.00 O ATOM 355 CB GLN A 23 13.126 2.489 6.367 1.00 0.00 C ATOM 356 CG GLN A 23 13.043 3.493 7.530 1.00 0.00 C ATOM 357 CD GLN A 23 13.494 2.909 8.872 1.00 0.00 C ATOM 358 OE1 GLN A 23 12.693 2.351 9.619 1.00 0.00 O ATOM 359 NE2 GLN A 23 14.776 3.035 9.191 1.00 0.00 N ATOM 0 H GLN A 23 14.962 3.829 5.289 1.00 0.00 H new ATOM 0 HA GLN A 23 14.958 1.577 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.762 2.973 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.455 1.656 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.659 4.361 7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.016 3.846 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.417 3.503 8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.120 2.664 10.077 1.00 0.00 H new ATOM 368 N ILE A 24 14.433 1.027 3.807 1.00 0.00 N ATOM 369 CA ILE A 24 14.475 -0.006 2.738 1.00 0.00 C ATOM 370 C ILE A 24 15.759 -0.841 2.859 1.00 0.00 C ATOM 371 O ILE A 24 15.703 -2.082 2.810 1.00 0.00 O ATOM 372 CB ILE A 24 14.375 0.638 1.291 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.002 1.357 1.096 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.610 -0.409 0.161 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.793 0.436 1.151 1.00 0.00 C ATOM 0 H ILE A 24 14.361 1.979 3.449 1.00 0.00 H new ATOM 0 HA ILE A 24 13.609 -0.654 2.871 1.00 0.00 H new ATOM 0 HB ILE A 24 15.172 1.378 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.895 2.122 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.008 1.870 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.531 0.080 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.604 -0.844 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.860 -1.196 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.884 1.020 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.871 -0.315 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.756 -0.058 2.122 1.00 0.00 H new ATOM 387 N LYS A 25 16.896 -0.131 3.054 1.00 0.00 N ATOM 388 CA LYS A 25 18.207 -0.751 3.271 1.00 0.00 C ATOM 389 C LYS A 25 18.182 -1.641 4.513 1.00 0.00 C ATOM 390 O LYS A 25 18.572 -2.784 4.444 1.00 0.00 O ATOM 391 CB LYS A 25 19.327 0.313 3.420 1.00 0.00 C ATOM 392 CG LYS A 25 19.583 1.166 2.166 1.00 0.00 C ATOM 393 CD LYS A 25 20.795 2.117 2.323 1.00 0.00 C ATOM 394 CE LYS A 25 20.959 3.061 1.120 1.00 0.00 C ATOM 395 NZ LYS A 25 22.255 3.786 1.157 1.00 0.00 N ATOM 0 H LYS A 25 16.920 0.889 3.064 1.00 0.00 H new ATOM 0 HA LYS A 25 18.425 -1.358 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.070 0.976 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.254 -0.192 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.751 0.508 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.692 1.754 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.675 2.708 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.703 1.527 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.891 2.487 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.141 3.781 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.257 4.530 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.385 4.217 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.031 3.119 0.972 1.00 0.00 H new ATOM 409 N ALA A 26 17.671 -1.087 5.633 1.00 0.00 N ATOM 410 CA ALA A 26 17.587 -1.781 6.933 1.00 0.00 C ATOM 411 C ALA A 26 16.747 -3.080 6.845 1.00 0.00 C ATOM 412 O ALA A 26 17.155 -4.114 7.385 1.00 0.00 O ATOM 413 CB ALA A 26 17.019 -0.832 7.998 1.00 0.00 C ATOM 0 H ALA A 26 17.302 -0.136 5.659 1.00 0.00 H new ATOM 0 HA ALA A 26 18.596 -2.076 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.960 -1.352 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.671 0.036 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.022 -0.506 7.700 1.00 0.00 H new ATOM 419 N HIS A 27 15.596 -3.015 6.133 1.00 0.00 N ATOM 420 CA HIS A 27 14.683 -4.166 5.931 1.00 0.00 C ATOM 421 C HIS A 27 15.408 -5.330 5.224 1.00 0.00 C ATOM 422 O HIS A 27 15.428 -6.471 5.716 1.00 0.00 O ATOM 423 CB HIS A 27 13.428 -3.759 5.094 1.00 0.00 C ATOM 424 CG HIS A 27 12.388 -2.935 5.817 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.849 -3.303 7.030 1.00 0.00 N ATOM 426 CD2 HIS A 27 11.771 -1.774 5.481 1.00 0.00 C ATOM 427 CE1 HIS A 27 10.942 -2.421 7.393 1.00 0.00 C ATOM 428 NE2 HIS A 27 10.879 -1.482 6.474 1.00 0.00 N ATOM 0 H HIS A 27 15.274 -2.159 5.681 1.00 0.00 H new ATOM 0 HA HIS A 27 14.358 -4.491 6.919 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.764 -3.199 4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.951 -4.667 4.726 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.112 -4.131 7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.952 -1.188 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.349 -2.461 8.295 1.00 0.00 H new ATOM 437 N VAL A 28 16.031 -5.018 4.072 1.00 0.00 N ATOM 438 CA VAL A 28 16.685 -6.037 3.234 1.00 0.00 C ATOM 439 C VAL A 28 18.027 -6.477 3.866 1.00 0.00 C ATOM 440 O VAL A 28 18.453 -7.616 3.696 1.00 0.00 O ATOM 441 CB VAL A 28 16.870 -5.538 1.744 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.865 -4.360 1.630 1.00 0.00 C ATOM 443 CG2 VAL A 28 17.257 -6.708 0.809 1.00 0.00 C ATOM 0 H VAL A 28 16.094 -4.070 3.702 1.00 0.00 H new ATOM 0 HA VAL A 28 16.033 -6.910 3.191 1.00 0.00 H new ATOM 0 HB VAL A 28 15.904 -5.153 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.954 -4.058 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.503 -3.519 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.841 -4.671 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.378 -6.336 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.194 -7.149 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.472 -7.464 0.828 1.00 0.00 H new ATOM 453 N ALA A 29 18.654 -5.566 4.644 1.00 0.00 N ATOM 454 CA ALA A 29 19.913 -5.833 5.366 1.00 0.00 C ATOM 455 C ALA A 29 19.693 -6.833 6.496 1.00 0.00 C ATOM 456 O ALA A 29 20.558 -7.665 6.760 1.00 0.00 O ATOM 457 CB ALA A 29 20.517 -4.531 5.921 1.00 0.00 C ATOM 0 H ALA A 29 18.297 -4.621 4.788 1.00 0.00 H new ATOM 0 HA ALA A 29 20.616 -6.265 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.444 -4.756 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.724 -3.847 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.811 -4.067 6.610 1.00 0.00 H new ATOM 463 N SER A 30 18.534 -6.735 7.165 1.00 0.00 N ATOM 464 CA SER A 30 18.148 -7.680 8.216 1.00 0.00 C ATOM 465 C SER A 30 17.897 -9.076 7.618 1.00 0.00 C ATOM 466 O SER A 30 18.296 -10.084 8.213 1.00 0.00 O ATOM 467 CB SER A 30 16.900 -7.174 8.970 1.00 0.00 C ATOM 468 OG SER A 30 16.587 -8.001 10.092 1.00 0.00 O ATOM 0 H SER A 30 17.845 -6.003 6.992 1.00 0.00 H new ATOM 0 HA SER A 30 18.968 -7.756 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.069 -6.152 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.049 -7.148 8.289 1.00 0.00 H new ATOM 0 HG SER A 30 15.793 -7.650 10.546 1.00 0.00 H new ATOM 474 N LEU A 31 17.239 -9.119 6.438 1.00 0.00 N ATOM 475 CA LEU A 31 16.991 -10.384 5.709 1.00 0.00 C ATOM 476 C LEU A 31 18.305 -11.078 5.297 1.00 0.00 C ATOM 477 O LEU A 31 18.489 -12.270 5.562 1.00 0.00 O ATOM 478 CB LEU A 31 16.101 -10.150 4.458 1.00 0.00 C ATOM 479 CG LEU A 31 14.637 -9.659 4.724 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.849 -9.539 3.407 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.887 -10.574 5.723 1.00 0.00 C ATOM 0 H LEU A 31 16.870 -8.292 5.970 1.00 0.00 H new ATOM 0 HA LEU A 31 16.461 -11.042 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.596 -9.418 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.051 -11.082 3.895 1.00 0.00 H new ATOM 0 HG LEU A 31 14.711 -8.671 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.836 -9.197 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.344 -8.823 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.808 -10.512 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.877 -10.194 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.837 -11.586 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.418 -10.586 6.675 1.00 0.00 H new ATOM 493 N GLU A 32 19.223 -10.315 4.669 1.00 0.00 N ATOM 494 CA GLU A 32 20.493 -10.858 4.123 1.00 0.00 C ATOM 495 C GLU A 32 21.605 -10.892 5.192 1.00 0.00 C ATOM 496 O GLU A 32 22.715 -11.362 4.919 1.00 0.00 O ATOM 497 CB GLU A 32 20.945 -10.027 2.879 1.00 0.00 C ATOM 498 CG GLU A 32 19.836 -9.722 1.830 1.00 0.00 C ATOM 499 CD GLU A 32 19.188 -10.952 1.152 1.00 0.00 C ATOM 500 OE1 GLU A 32 18.540 -11.769 1.846 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.263 -11.077 -0.089 1.00 0.00 O ATOM 0 H GLU A 32 19.110 -9.312 4.525 1.00 0.00 H new ATOM 0 HA GLU A 32 20.311 -11.887 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.359 -9.081 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.753 -10.564 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.051 -9.145 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.263 -9.087 1.054 1.00 0.00 H new ATOM 508 N GLY A 33 21.294 -10.372 6.406 1.00 0.00 N ATOM 509 CA GLY A 33 22.242 -10.333 7.529 1.00 0.00 C ATOM 510 C GLY A 33 23.407 -9.370 7.303 1.00 0.00 C ATOM 511 O GLY A 33 24.428 -9.457 7.988 1.00 0.00 O ATOM 0 H GLY A 33 20.382 -9.972 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.710 -10.042 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.636 -11.335 7.698 1.00 0.00 H new ATOM 515 N ILE A 34 23.251 -8.456 6.332 1.00 0.00 N ATOM 516 CA ILE A 34 24.306 -7.512 5.911 1.00 0.00 C ATOM 517 C ILE A 34 24.105 -6.133 6.568 1.00 0.00 C ATOM 518 O ILE A 34 23.118 -5.907 7.274 1.00 0.00 O ATOM 519 CB ILE A 34 24.344 -7.374 4.333 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.017 -6.762 3.775 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.645 -8.744 3.670 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.998 -6.535 2.267 1.00 0.00 C ATOM 0 H ILE A 34 22.381 -8.348 5.810 1.00 0.00 H new ATOM 0 HA ILE A 34 25.264 -7.912 6.243 1.00 0.00 H new ATOM 0 HB ILE A 34 25.151 -6.686 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.191 -7.422 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.836 -5.810 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.667 -8.627 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.612 -9.110 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.868 -9.458 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.038 -6.109 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.799 -5.848 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.144 -7.486 1.754 1.00 0.00 H new ATOM 534 N ALA A 35 25.059 -5.221 6.322 1.00 0.00 N ATOM 535 CA ALA A 35 25.022 -3.840 6.829 1.00 0.00 C ATOM 536 C ALA A 35 24.244 -2.930 5.853 1.00 0.00 C ATOM 537 O ALA A 35 24.484 -2.989 4.638 1.00 0.00 O ATOM 538 CB ALA A 35 26.462 -3.315 7.010 1.00 0.00 C ATOM 0 H ALA A 35 25.886 -5.424 5.760 1.00 0.00 H new ATOM 0 HA ALA A 35 24.512 -3.830 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.432 -2.292 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.993 -3.947 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.980 -3.334 6.051 1.00 0.00 H new ATOM 544 N PRO A 36 23.294 -2.066 6.356 1.00 0.00 N ATOM 545 CA PRO A 36 22.636 -1.024 5.525 1.00 0.00 C ATOM 546 C PRO A 36 23.636 0.076 5.073 1.00 0.00 C ATOM 547 O PRO A 36 23.354 0.831 4.134 1.00 0.00 O ATOM 548 CB PRO A 36 21.526 -0.462 6.458 1.00 0.00 C ATOM 549 CG PRO A 36 22.020 -0.743 7.847 1.00 0.00 C ATOM 550 CD PRO A 36 22.769 -2.056 7.755 1.00 0.00 C ATOM 0 HA PRO A 36 22.236 -1.420 4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.378 0.606 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.568 -0.948 6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.672 0.056 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.191 -0.813 8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 36 23.576 -2.109 8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.113 -2.906 7.943 1.00 0.00 H new ATOM 558 N GLU A 37 24.803 0.138 5.750 1.00 0.00 N ATOM 559 CA GLU A 37 25.913 1.048 5.389 1.00 0.00 C ATOM 560 C GLU A 37 26.696 0.530 4.166 1.00 0.00 C ATOM 561 O GLU A 37 27.389 1.301 3.511 1.00 0.00 O ATOM 562 CB GLU A 37 26.888 1.214 6.590 1.00 0.00 C ATOM 563 CG GLU A 37 26.271 1.886 7.832 1.00 0.00 C ATOM 564 CD GLU A 37 27.278 2.034 8.991 1.00 0.00 C ATOM 565 OE1 GLU A 37 28.076 2.999 8.989 1.00 0.00 O ATOM 566 OE2 GLU A 37 27.293 1.173 9.903 1.00 0.00 O ATOM 0 H GLU A 37 25.003 -0.443 6.564 1.00 0.00 H new ATOM 0 HA GLU A 37 25.474 2.013 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.263 0.231 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 37 27.747 1.801 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.893 2.871 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 37 25.417 1.299 8.171 1.00 0.00 H new ATOM 573 N ASP A 38 26.569 -0.772 3.859 1.00 0.00 N ATOM 574 CA ASP A 38 27.374 -1.451 2.815 1.00 0.00 C ATOM 575 C ASP A 38 26.589 -1.550 1.479 1.00 0.00 C ATOM 576 O ASP A 38 26.939 -2.328 0.584 1.00 0.00 O ATOM 577 CB ASP A 38 27.789 -2.855 3.348 1.00 0.00 C ATOM 578 CG ASP A 38 28.771 -3.626 2.432 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.902 -3.148 2.230 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.430 -4.729 1.945 1.00 0.00 O ATOM 0 H ASP A 38 25.905 -1.390 4.326 1.00 0.00 H new ATOM 0 HA ASP A 38 28.271 -0.869 2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.246 -2.736 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.891 -3.457 3.485 1.00 0.00 H new ATOM 585 N GLN A 39 25.556 -0.707 1.316 1.00 0.00 N ATOM 586 CA GLN A 39 24.635 -0.809 0.168 1.00 0.00 C ATOM 587 C GLN A 39 24.001 0.547 -0.185 1.00 0.00 C ATOM 588 O GLN A 39 24.073 1.514 0.587 1.00 0.00 O ATOM 589 CB GLN A 39 23.533 -1.853 0.491 1.00 0.00 C ATOM 590 CG GLN A 39 22.636 -1.481 1.689 1.00 0.00 C ATOM 591 CD GLN A 39 21.561 -2.523 1.994 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.470 -2.475 1.433 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.851 -3.448 2.898 1.00 0.00 N ATOM 0 H GLN A 39 25.337 0.051 1.962 1.00 0.00 H new ATOM 0 HA GLN A 39 25.208 -1.129 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.905 -1.985 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 24.007 -2.814 0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.261 -1.346 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.156 -0.523 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.769 -3.456 3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 39 21.156 -4.152 3.148 1.00 0.00 H new ATOM 602 N VAL A 40 23.385 0.590 -1.376 1.00 0.00 N ATOM 603 CA VAL A 40 22.574 1.717 -1.857 1.00 0.00 C ATOM 604 C VAL A 40 21.364 1.166 -2.644 1.00 0.00 C ATOM 605 O VAL A 40 21.443 0.077 -3.234 1.00 0.00 O ATOM 606 CB VAL A 40 23.422 2.717 -2.738 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.985 2.034 -4.004 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.609 3.992 -3.097 1.00 0.00 C ATOM 0 H VAL A 40 23.439 -0.177 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 40 22.219 2.287 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 40 24.274 3.029 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.562 2.757 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.630 1.204 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.162 1.658 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.224 4.657 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.718 3.710 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.314 4.505 -2.182 1.00 0.00 H new ATOM 618 N VAL A 41 20.237 1.899 -2.609 1.00 0.00 N ATOM 619 CA VAL A 41 19.004 1.522 -3.329 1.00 0.00 C ATOM 620 C VAL A 41 18.865 2.382 -4.608 1.00 0.00 C ATOM 621 O VAL A 41 19.043 3.602 -4.575 1.00 0.00 O ATOM 622 CB VAL A 41 17.739 1.676 -2.405 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.437 1.289 -3.135 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.913 0.852 -1.106 1.00 0.00 C ATOM 0 H VAL A 41 20.154 2.768 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 41 19.072 0.472 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 41 17.653 2.730 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.591 1.411 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.302 1.932 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.496 0.250 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.029 0.970 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.041 -0.201 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.791 1.206 -0.566 1.00 0.00 H new ATOM 634 N LEU A 42 18.570 1.698 -5.723 1.00 0.00 N ATOM 635 CA LEU A 42 18.496 2.260 -7.077 1.00 0.00 C ATOM 636 C LEU A 42 17.054 2.091 -7.604 1.00 0.00 C ATOM 637 O LEU A 42 16.592 0.964 -7.792 1.00 0.00 O ATOM 638 CB LEU A 42 19.492 1.514 -8.039 1.00 0.00 C ATOM 639 CG LEU A 42 21.037 1.628 -7.754 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.495 3.090 -7.665 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.468 0.827 -6.507 1.00 0.00 C ATOM 0 H LEU A 42 18.369 0.698 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 42 18.769 3.315 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.230 0.456 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.313 1.880 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 42 21.540 1.177 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.566 3.124 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.283 3.596 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 42 20.961 3.590 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.542 0.939 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.937 1.202 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.230 -0.227 -6.651 1.00 0.00 H new ATOM 653 N LEU A 43 16.340 3.206 -7.803 1.00 0.00 N ATOM 654 CA LEU A 43 14.996 3.187 -8.407 1.00 0.00 C ATOM 655 C LEU A 43 15.170 3.074 -9.925 1.00 0.00 C ATOM 656 O LEU A 43 15.431 4.080 -10.593 1.00 0.00 O ATOM 657 CB LEU A 43 14.226 4.488 -8.043 1.00 0.00 C ATOM 658 CG LEU A 43 12.660 4.467 -8.104 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.108 5.847 -7.675 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.084 4.046 -9.483 1.00 0.00 C ATOM 0 H LEU A 43 16.670 4.138 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 43 14.419 2.343 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.515 4.774 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.574 5.278 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 43 12.330 3.695 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.019 5.832 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.429 6.067 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.487 6.616 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.995 4.057 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.425 4.744 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.427 3.041 -9.729 1.00 0.00 H new ATOM 672 N ALA A 44 15.043 1.844 -10.441 1.00 0.00 N ATOM 673 CA ALA A 44 15.222 1.543 -11.874 1.00 0.00 C ATOM 674 C ALA A 44 16.631 1.963 -12.382 1.00 0.00 C ATOM 675 O ALA A 44 16.828 2.221 -13.579 1.00 0.00 O ATOM 676 CB ALA A 44 14.092 2.183 -12.714 1.00 0.00 C ATOM 0 H ALA A 44 14.813 1.025 -9.878 1.00 0.00 H new ATOM 0 HA ALA A 44 15.156 0.462 -11.998 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.244 1.948 -13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.129 1.788 -12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.105 3.264 -12.578 1.00 0.00 H new ATOM 682 N GLY A 45 17.615 1.989 -11.448 1.00 0.00 N ATOM 683 CA GLY A 45 18.987 2.432 -11.734 1.00 0.00 C ATOM 684 C GLY A 45 19.351 3.793 -11.119 1.00 0.00 C ATOM 685 O GLY A 45 20.538 4.108 -10.993 1.00 0.00 O ATOM 0 H GLY A 45 17.472 1.702 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.684 1.680 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.121 2.486 -12.814 1.00 0.00 H new ATOM 689 N ALA A 46 18.336 4.597 -10.744 1.00 0.00 N ATOM 690 CA ALA A 46 18.531 5.964 -10.204 1.00 0.00 C ATOM 691 C ALA A 46 18.876 5.932 -8.691 1.00 0.00 C ATOM 692 O ALA A 46 18.057 5.475 -7.894 1.00 0.00 O ATOM 693 CB ALA A 46 17.269 6.802 -10.458 1.00 0.00 C ATOM 0 H ALA A 46 17.356 4.320 -10.806 1.00 0.00 H new ATOM 0 HA ALA A 46 19.375 6.423 -10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.413 7.807 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.080 6.859 -11.530 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.417 6.335 -9.964 1.00 0.00 H new ATOM 699 N PRO A 47 20.100 6.417 -8.271 1.00 0.00 N ATOM 700 CA PRO A 47 20.537 6.399 -6.846 1.00 0.00 C ATOM 701 C PRO A 47 19.631 7.244 -5.920 1.00 0.00 C ATOM 702 O PRO A 47 19.615 8.479 -5.992 1.00 0.00 O ATOM 703 CB PRO A 47 21.994 6.944 -6.901 1.00 0.00 C ATOM 704 CG PRO A 47 22.062 7.726 -8.177 1.00 0.00 C ATOM 705 CD PRO A 47 21.153 7.003 -9.147 1.00 0.00 C ATOM 0 HA PRO A 47 20.474 5.400 -6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.214 7.574 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.721 6.132 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 47 21.734 8.754 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.083 7.770 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 47 20.728 7.686 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.689 6.232 -9.700 1.00 0.00 H new ATOM 713 N LEU A 48 18.856 6.543 -5.074 1.00 0.00 N ATOM 714 CA LEU A 48 17.974 7.161 -4.076 1.00 0.00 C ATOM 715 C LEU A 48 18.754 7.535 -2.801 1.00 0.00 C ATOM 716 O LEU A 48 19.612 6.769 -2.330 1.00 0.00 O ATOM 717 CB LEU A 48 16.808 6.204 -3.722 1.00 0.00 C ATOM 718 CG LEU A 48 15.827 5.832 -4.874 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.670 4.945 -4.349 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.288 7.101 -5.590 1.00 0.00 C ATOM 0 H LEU A 48 18.826 5.523 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 48 17.567 8.075 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.234 5.281 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.230 6.657 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 48 16.382 5.254 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.999 4.698 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.078 4.027 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.118 5.485 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.607 6.807 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.757 7.726 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.121 7.662 -6.013 1.00 0.00 H new ATOM 732 N GLU A 49 18.416 8.710 -2.249 1.00 0.00 N ATOM 733 CA GLU A 49 19.080 9.287 -1.066 1.00 0.00 C ATOM 734 C GLU A 49 18.535 8.644 0.219 1.00 0.00 C ATOM 735 O GLU A 49 17.321 8.565 0.389 1.00 0.00 O ATOM 736 CB GLU A 49 18.844 10.813 -1.051 1.00 0.00 C ATOM 737 CG GLU A 49 19.263 11.528 -2.351 1.00 0.00 C ATOM 738 CD GLU A 49 18.849 13.007 -2.376 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.669 13.297 -2.671 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.692 13.885 -2.096 1.00 0.00 O ATOM 0 H GLU A 49 17.665 9.295 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 49 20.151 9.088 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.787 11.004 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.395 11.247 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.344 11.456 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.816 11.016 -3.203 1.00 0.00 H new ATOM 747 N ASP A 50 19.453 8.223 1.109 1.00 0.00 N ATOM 748 CA ASP A 50 19.150 7.477 2.362 1.00 0.00 C ATOM 749 C ASP A 50 17.999 8.096 3.189 1.00 0.00 C ATOM 750 O ASP A 50 17.054 7.403 3.571 1.00 0.00 O ATOM 751 CB ASP A 50 20.431 7.392 3.237 1.00 0.00 C ATOM 752 CG ASP A 50 21.536 6.501 2.647 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.921 6.695 1.471 1.00 0.00 O ATOM 754 OD2 ASP A 50 22.027 5.591 3.362 1.00 0.00 O ATOM 0 H ASP A 50 20.451 8.392 0.981 1.00 0.00 H new ATOM 0 HA ASP A 50 18.817 6.484 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.827 8.397 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.160 7.012 4.222 1.00 0.00 H new ATOM 759 N GLU A 51 18.085 9.408 3.430 1.00 0.00 N ATOM 760 CA GLU A 51 17.146 10.127 4.324 1.00 0.00 C ATOM 761 C GLU A 51 15.803 10.452 3.622 1.00 0.00 C ATOM 762 O GLU A 51 14.805 10.734 4.297 1.00 0.00 O ATOM 763 CB GLU A 51 17.842 11.400 4.907 1.00 0.00 C ATOM 764 CG GLU A 51 18.660 12.248 3.902 1.00 0.00 C ATOM 765 CD GLU A 51 17.817 12.900 2.796 1.00 0.00 C ATOM 766 OE1 GLU A 51 17.039 13.826 3.095 1.00 0.00 O ATOM 767 OE2 GLU A 51 17.941 12.500 1.620 1.00 0.00 O ATOM 0 H GLU A 51 18.800 10.007 3.018 1.00 0.00 H new ATOM 0 HA GLU A 51 16.888 9.471 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.077 12.037 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.505 11.089 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.189 13.029 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.417 11.614 3.440 1.00 0.00 H new ATOM 774 N ALA A 52 15.798 10.419 2.276 1.00 0.00 N ATOM 775 CA ALA A 52 14.595 10.687 1.469 1.00 0.00 C ATOM 776 C ALA A 52 13.613 9.502 1.541 1.00 0.00 C ATOM 777 O ALA A 52 14.044 8.343 1.543 1.00 0.00 O ATOM 778 CB ALA A 52 14.984 10.991 0.012 1.00 0.00 C ATOM 0 H ALA A 52 16.626 10.206 1.720 1.00 0.00 H new ATOM 0 HA ALA A 52 14.093 11.563 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.084 11.187 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.633 11.867 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.511 10.135 -0.410 1.00 0.00 H new ATOM 784 N THR A 53 12.302 9.797 1.621 1.00 0.00 N ATOM 785 CA THR A 53 11.253 8.761 1.675 1.00 0.00 C ATOM 786 C THR A 53 10.864 8.311 0.263 1.00 0.00 C ATOM 787 O THR A 53 11.253 8.938 -0.722 1.00 0.00 O ATOM 788 CB THR A 53 9.979 9.257 2.432 1.00 0.00 C ATOM 789 OG1 THR A 53 9.341 10.313 1.703 1.00 0.00 O ATOM 790 CG2 THR A 53 10.313 9.746 3.846 1.00 0.00 C ATOM 0 H THR A 53 11.942 10.751 1.650 1.00 0.00 H new ATOM 0 HA THR A 53 11.669 7.917 2.226 1.00 0.00 H new ATOM 0 HB THR A 53 9.302 8.407 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.544 10.611 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.401 10.082 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.755 8.930 4.418 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.020 10.573 3.787 1.00 0.00 H new ATOM 798 N LEU A 54 10.059 7.242 0.176 1.00 0.00 N ATOM 799 CA LEU A 54 9.568 6.706 -1.106 1.00 0.00 C ATOM 800 C LEU A 54 8.570 7.679 -1.770 1.00 0.00 C ATOM 801 O LEU A 54 8.476 7.739 -3.004 1.00 0.00 O ATOM 802 CB LEU A 54 8.937 5.306 -0.882 1.00 0.00 C ATOM 803 CG LEU A 54 9.918 4.186 -0.393 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.242 2.808 -0.422 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.251 4.174 -1.190 1.00 0.00 C ATOM 0 H LEU A 54 9.729 6.724 0.990 1.00 0.00 H new ATOM 0 HA LEU A 54 10.410 6.599 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.134 5.403 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.481 4.980 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 54 10.173 4.420 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.946 2.050 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.370 2.817 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.930 2.577 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.894 3.380 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.042 4.000 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.753 5.134 -1.073 1.00 0.00 H new ATOM 817 N GLY A 55 7.844 8.445 -0.933 1.00 0.00 N ATOM 818 CA GLY A 55 6.978 9.527 -1.408 1.00 0.00 C ATOM 819 C GLY A 55 7.780 10.678 -2.021 1.00 0.00 C ATOM 820 O GLY A 55 7.415 11.208 -3.079 1.00 0.00 O ATOM 0 H GLY A 55 7.845 8.329 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.282 9.135 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.380 9.904 -0.578 1.00 0.00 H new ATOM 824 N GLN A 56 8.893 11.036 -1.355 1.00 0.00 N ATOM 825 CA GLN A 56 9.827 12.092 -1.815 1.00 0.00 C ATOM 826 C GLN A 56 10.587 11.653 -3.089 1.00 0.00 C ATOM 827 O GLN A 56 10.938 12.488 -3.928 1.00 0.00 O ATOM 828 CB GLN A 56 10.813 12.442 -0.665 1.00 0.00 C ATOM 829 CG GLN A 56 10.154 13.171 0.530 1.00 0.00 C ATOM 830 CD GLN A 56 11.030 13.247 1.784 1.00 0.00 C ATOM 831 OE1 GLN A 56 12.259 13.251 1.711 1.00 0.00 O ATOM 832 NE2 GLN A 56 10.400 13.319 2.949 1.00 0.00 N ATOM 0 H GLN A 56 9.175 10.601 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 56 9.255 12.982 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.277 11.523 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.612 13.068 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.892 14.183 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.223 12.663 0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.380 13.314 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.935 13.380 3.815 1.00 0.00 H new ATOM 841 N CYS A 57 10.833 10.338 -3.209 1.00 0.00 N ATOM 842 CA CYS A 57 11.401 9.729 -4.424 1.00 0.00 C ATOM 843 C CYS A 57 10.359 9.715 -5.564 1.00 0.00 C ATOM 844 O CYS A 57 10.721 9.778 -6.740 1.00 0.00 O ATOM 845 CB CYS A 57 11.892 8.298 -4.116 1.00 0.00 C ATOM 846 SG CYS A 57 13.184 8.227 -2.852 1.00 0.00 S ATOM 0 H CYS A 57 10.643 9.666 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 57 12.251 10.327 -4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.044 7.695 -3.790 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.269 7.848 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 57 12.667 8.487 -1.688 1.00 0.00 H new ATOM 852 N GLY A 58 9.067 9.649 -5.186 1.00 0.00 N ATOM 853 CA GLY A 58 7.950 9.624 -6.140 1.00 0.00 C ATOM 854 C GLY A 58 7.643 8.223 -6.658 1.00 0.00 C ATOM 855 O GLY A 58 7.034 8.069 -7.726 1.00 0.00 O ATOM 0 H GLY A 58 8.773 9.612 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.060 10.032 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.184 10.274 -6.983 1.00 0.00 H new ATOM 859 N VAL A 59 8.057 7.195 -5.896 1.00 0.00 N ATOM 860 CA VAL A 59 7.845 5.780 -6.255 1.00 0.00 C ATOM 861 C VAL A 59 6.598 5.232 -5.543 1.00 0.00 C ATOM 862 O VAL A 59 6.377 5.490 -4.353 1.00 0.00 O ATOM 863 CB VAL A 59 9.109 4.898 -5.930 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.544 4.984 -4.458 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.911 3.426 -6.361 1.00 0.00 C ATOM 0 H VAL A 59 8.549 7.322 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 59 7.686 5.730 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 59 9.921 5.319 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.419 4.354 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.791 6.017 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.731 4.642 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.806 2.853 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.056 3.004 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.732 3.382 -7.435 1.00 0.00 H new ATOM 875 N GLU A 60 5.780 4.494 -6.303 1.00 0.00 N ATOM 876 CA GLU A 60 4.540 3.862 -5.816 1.00 0.00 C ATOM 877 C GLU A 60 4.743 2.337 -5.685 1.00 0.00 C ATOM 878 O GLU A 60 5.877 1.836 -5.749 1.00 0.00 O ATOM 879 CB GLU A 60 3.388 4.202 -6.800 1.00 0.00 C ATOM 880 CG GLU A 60 3.074 5.711 -6.918 1.00 0.00 C ATOM 881 CD GLU A 60 2.023 6.027 -7.997 1.00 0.00 C ATOM 882 OE1 GLU A 60 0.812 5.979 -7.703 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.411 6.314 -9.152 1.00 0.00 O ATOM 0 H GLU A 60 5.961 4.314 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 60 4.281 4.244 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.645 3.818 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.487 3.680 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.719 6.078 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.993 6.250 -7.146 1.00 0.00 H new ATOM 890 N ALA A 61 3.637 1.601 -5.481 1.00 0.00 N ATOM 891 CA ALA A 61 3.652 0.128 -5.406 1.00 0.00 C ATOM 892 C ALA A 61 3.863 -0.505 -6.808 1.00 0.00 C ATOM 893 O ALA A 61 3.932 0.210 -7.817 1.00 0.00 O ATOM 894 CB ALA A 61 2.349 -0.363 -4.759 1.00 0.00 C ATOM 0 H ALA A 61 2.709 2.008 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 61 4.492 -0.187 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.358 -1.452 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.263 0.052 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.500 -0.038 -5.360 1.00 0.00 H new ATOM 900 N LEU A 62 3.981 -1.854 -6.836 1.00 0.00 N ATOM 901 CA LEU A 62 4.196 -2.664 -8.066 1.00 0.00 C ATOM 902 C LEU A 62 5.490 -2.259 -8.824 1.00 0.00 C ATOM 903 O LEU A 62 5.610 -2.491 -10.032 1.00 0.00 O ATOM 904 CB LEU A 62 2.941 -2.627 -9.017 1.00 0.00 C ATOM 905 CG LEU A 62 1.657 -3.407 -8.548 1.00 0.00 C ATOM 906 CD1 LEU A 62 1.981 -4.880 -8.212 1.00 0.00 C ATOM 907 CD2 LEU A 62 0.933 -2.702 -7.375 1.00 0.00 C ATOM 0 H LEU A 62 3.929 -2.423 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 62 4.331 -3.694 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.665 -1.584 -9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.241 -3.023 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 62 0.964 -3.404 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.072 -5.389 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.382 -5.375 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.719 -4.917 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.054 -3.280 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.609 -2.625 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.625 -1.703 -7.685 1.00 0.00 H new ATOM 919 N THR A 63 6.465 -1.703 -8.085 1.00 0.00 N ATOM 920 CA THR A 63 7.748 -1.217 -8.643 1.00 0.00 C ATOM 921 C THR A 63 8.905 -2.115 -8.155 1.00 0.00 C ATOM 922 O THR A 63 8.795 -2.732 -7.104 1.00 0.00 O ATOM 923 CB THR A 63 7.990 0.268 -8.199 1.00 0.00 C ATOM 924 OG1 THR A 63 6.838 1.060 -8.532 1.00 0.00 O ATOM 925 CG2 THR A 63 9.237 0.884 -8.861 1.00 0.00 C ATOM 0 H THR A 63 6.389 -1.575 -7.076 1.00 0.00 H new ATOM 0 HA THR A 63 7.706 -1.258 -9.731 1.00 0.00 H new ATOM 0 HB THR A 63 8.157 0.263 -7.122 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.415 1.384 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.359 1.912 -8.520 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.118 0.304 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.117 0.873 -9.944 1.00 0.00 H new ATOM 933 N THR A 64 10.006 -2.188 -8.929 1.00 0.00 N ATOM 934 CA THR A 64 11.210 -2.948 -8.546 1.00 0.00 C ATOM 935 C THR A 64 12.391 -1.984 -8.329 1.00 0.00 C ATOM 936 O THR A 64 12.903 -1.372 -9.277 1.00 0.00 O ATOM 937 CB THR A 64 11.589 -4.028 -9.613 1.00 0.00 C ATOM 938 OG1 THR A 64 10.467 -4.892 -9.841 1.00 0.00 O ATOM 939 CG2 THR A 64 12.797 -4.894 -9.168 1.00 0.00 C ATOM 0 H THR A 64 10.085 -1.723 -9.834 1.00 0.00 H new ATOM 0 HA THR A 64 10.986 -3.472 -7.617 1.00 0.00 H new ATOM 0 HB THR A 64 11.866 -3.498 -10.525 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.705 -5.567 -10.511 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.022 -5.629 -9.941 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.665 -4.254 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.553 -5.408 -8.238 1.00 0.00 H new ATOM 947 N LEU A 65 12.774 -1.825 -7.061 1.00 0.00 N ATOM 948 CA LEU A 65 13.992 -1.104 -6.650 1.00 0.00 C ATOM 949 C LEU A 65 15.123 -2.149 -6.534 1.00 0.00 C ATOM 950 O LEU A 65 14.840 -3.304 -6.244 1.00 0.00 O ATOM 951 CB LEU A 65 13.765 -0.368 -5.287 1.00 0.00 C ATOM 952 CG LEU A 65 12.692 0.799 -5.261 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.246 0.291 -5.478 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.783 1.614 -3.948 1.00 0.00 C ATOM 0 H LEU A 65 12.242 -2.197 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 65 14.254 -0.340 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.472 -1.112 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.720 0.045 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 65 12.933 1.452 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.556 1.134 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.176 -0.203 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.987 -0.416 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.035 2.407 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.601 0.956 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.777 2.054 -3.861 1.00 0.00 H new ATOM 966 N GLU A 66 16.388 -1.771 -6.776 1.00 0.00 N ATOM 967 CA GLU A 66 17.519 -2.731 -6.757 1.00 0.00 C ATOM 968 C GLU A 66 18.617 -2.261 -5.787 1.00 0.00 C ATOM 969 O GLU A 66 18.914 -1.080 -5.712 1.00 0.00 O ATOM 970 CB GLU A 66 18.088 -2.919 -8.191 1.00 0.00 C ATOM 971 CG GLU A 66 19.174 -4.015 -8.307 1.00 0.00 C ATOM 972 CD GLU A 66 19.669 -4.251 -9.746 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.848 -4.576 -10.624 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.881 -4.136 -10.001 1.00 0.00 O ATOM 0 H GLU A 66 16.660 -0.811 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 66 17.151 -3.694 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.268 -3.164 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.507 -1.972 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.023 -3.739 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.777 -4.950 -7.912 1.00 0.00 H new ATOM 981 N VAL A 67 19.198 -3.203 -5.030 1.00 0.00 N ATOM 982 CA VAL A 67 20.296 -2.927 -4.089 1.00 0.00 C ATOM 983 C VAL A 67 21.651 -3.250 -4.748 1.00 0.00 C ATOM 984 O VAL A 67 21.872 -4.381 -5.199 1.00 0.00 O ATOM 985 CB VAL A 67 20.112 -3.757 -2.760 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.330 -3.640 -1.813 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.814 -3.340 -2.033 1.00 0.00 C ATOM 0 H VAL A 67 18.919 -4.184 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 67 20.277 -1.868 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 67 20.035 -4.805 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.150 -4.230 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.221 -4.011 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.478 -2.596 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.705 -3.924 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.861 -2.280 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.958 -3.522 -2.683 1.00 0.00 H new ATOM 997 N ALA A 68 22.540 -2.239 -4.814 1.00 0.00 N ATOM 998 CA ALA A 68 23.932 -2.407 -5.288 1.00 0.00 C ATOM 999 C ALA A 68 24.927 -2.055 -4.173 1.00 0.00 C ATOM 1000 O ALA A 68 24.640 -1.210 -3.315 1.00 0.00 O ATOM 1001 CB ALA A 68 24.199 -1.533 -6.524 1.00 0.00 C ATOM 0 H ALA A 68 22.315 -1.282 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 68 24.068 -3.452 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.228 -1.674 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.519 -1.820 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.039 -0.485 -6.270 1.00 0.00 H new ATOM 1007 N GLY A 69 26.098 -2.707 -4.194 1.00 0.00 N ATOM 1008 CA GLY A 69 27.178 -2.402 -3.259 1.00 0.00 C ATOM 1009 C GLY A 69 28.070 -1.282 -3.785 1.00 0.00 C ATOM 1010 O GLY A 69 29.027 -1.538 -4.522 1.00 0.00 O ATOM 0 H GLY A 69 26.317 -3.453 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.757 -2.112 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.777 -3.297 -3.088 1.00 0.00 H new ATOM 1014 N ARG A 70 27.721 -0.031 -3.434 1.00 0.00 N ATOM 1015 CA ARG A 70 28.494 1.179 -3.817 1.00 0.00 C ATOM 1016 C ARG A 70 28.908 1.974 -2.560 1.00 0.00 C ATOM 1017 O ARG A 70 29.410 3.100 -2.669 1.00 0.00 O ATOM 1018 CB ARG A 70 27.642 2.094 -4.750 1.00 0.00 C ATOM 1019 CG ARG A 70 27.136 1.434 -6.060 1.00 0.00 C ATOM 1020 CD ARG A 70 26.337 2.423 -6.929 1.00 0.00 C ATOM 1021 NE ARG A 70 25.794 1.807 -8.148 1.00 0.00 N ATOM 1022 CZ ARG A 70 24.984 2.430 -9.029 1.00 0.00 C ATOM 1023 NH1 ARG A 70 24.632 3.703 -8.853 1.00 0.00 N ATOM 1024 NH2 ARG A 70 24.537 1.778 -10.084 1.00 0.00 N ATOM 0 H ARG A 70 26.893 0.177 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 70 29.389 0.857 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.779 2.452 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.237 2.969 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.986 1.056 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.509 0.576 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.517 2.835 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.981 3.257 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 70 26.048 0.838 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.976 4.220 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 70 24.019 4.161 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 70 24.804 0.805 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 70 23.925 2.247 -10.751 1.00 0.00 H new ATOM 1038 N MET A 71 28.717 1.378 -1.370 1.00 0.00 N ATOM 1039 CA MET A 71 28.844 2.096 -0.083 1.00 0.00 C ATOM 1040 C MET A 71 29.540 1.207 0.972 1.00 0.00 C ATOM 1041 O MET A 71 29.595 -0.011 0.825 1.00 0.00 O ATOM 1042 CB MET A 71 27.420 2.534 0.391 1.00 0.00 C ATOM 1043 CG MET A 71 27.391 3.670 1.430 1.00 0.00 C ATOM 1044 SD MET A 71 28.031 5.229 0.773 1.00 0.00 S ATOM 1045 CE MET A 71 26.855 5.598 -0.536 1.00 0.00 C ATOM 0 H MET A 71 28.472 0.393 -1.270 1.00 0.00 H new ATOM 0 HA MET A 71 29.464 2.983 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.846 2.847 -0.481 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.913 1.666 0.812 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.367 3.818 1.773 1.00 0.00 H new ATOM 0 HG3 MET A 71 27.980 3.377 2.300 1.00 0.00 H new ATOM 0 HE1 MET A 71 26.928 6.652 -0.805 1.00 0.00 H new ATOM 0 HE2 MET A 71 27.078 4.985 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 71 25.845 5.381 -0.189 1.00 0.00 H new ATOM 1055 N LEU A 72 30.067 1.843 2.023 1.00 0.00 N ATOM 1056 CA LEU A 72 30.727 1.163 3.159 1.00 0.00 C ATOM 1057 C LEU A 72 30.495 2.033 4.410 1.00 0.00 C ATOM 1058 O LEU A 72 30.158 1.529 5.491 1.00 0.00 O ATOM 1059 CB LEU A 72 32.255 0.961 2.853 1.00 0.00 C ATOM 1060 CG LEU A 72 33.065 -0.105 3.698 1.00 0.00 C ATOM 1061 CD1 LEU A 72 33.271 0.303 5.171 1.00 0.00 C ATOM 1062 CD2 LEU A 72 32.414 -1.502 3.597 1.00 0.00 C ATOM 0 H LEU A 72 30.051 2.859 2.117 1.00 0.00 H new ATOM 0 HA LEU A 72 30.310 0.170 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 32.348 0.689 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 72 32.747 1.925 2.978 1.00 0.00 H new ATOM 0 HG LEU A 72 34.060 -0.147 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 72 33.833 -0.474 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 72 33.824 1.241 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 72 32.301 0.431 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 72 32.990 -2.215 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 72 31.394 -1.456 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 72 32.398 -1.822 2.555 1.00 0.00 H new ATOM 1074 N GLY A 73 30.687 3.348 4.224 1.00 0.00 N ATOM 1075 CA GLY A 73 30.505 4.355 5.265 1.00 0.00 C ATOM 1076 C GLY A 73 31.662 5.348 5.261 1.00 0.00 C ATOM 1077 O GLY A 73 31.864 6.056 4.262 1.00 0.00 O ATOM 0 H GLY A 73 30.978 3.742 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 29.565 4.883 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.438 3.871 6.239 1.00 0.00 H new ATOM 1081 N GLY A 74 32.430 5.389 6.368 1.00 0.00 N ATOM 1082 CA GLY A 74 33.611 6.243 6.487 1.00 0.00 C ATOM 1083 C GLY A 74 34.870 5.544 5.957 1.00 0.00 C ATOM 1084 O GLY A 74 35.190 5.696 4.765 1.00 0.00 O ATOM 1085 OXT GLY A 74 35.529 4.819 6.729 1.00 0.00 O ATOM 0 H GLY A 74 32.243 4.829 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 74 33.448 7.169 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 74 33.759 6.517 7.532 1.00 0.00 H new TER 1089 GLY A 74