USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HE2:sc= -0.0497 K(o=1.2,f=0.3) USER MOD Set 1.2: A 22 THR OG1 : rot -39:sc= 1.24 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -51:sc= 1.24 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.22 K(o=2.5,f=-0.91!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.068 K(o=-0.068,f=-0.7) USER MOD Single : A 27 THR OG1 : rot -69:sc= 0.601 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.112 (180deg=0.0249) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 70 GLN :FLIP amide:sc= 0.0871 F(o=-0.42,f=0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.921 0.197 -13.759 1.00 0.00 N ATOM 2 CA MET A 1 -2.191 -0.561 -13.877 1.00 0.00 C ATOM 3 C MET A 1 -2.891 -0.729 -12.492 1.00 0.00 C ATOM 4 O MET A 1 -2.290 -1.205 -11.524 1.00 0.00 O ATOM 5 CB MET A 1 -1.881 -1.901 -14.574 1.00 0.00 C ATOM 6 CG MET A 1 -3.105 -2.764 -14.916 1.00 0.00 C ATOM 7 SD MET A 1 -4.210 -1.893 -16.038 1.00 0.00 S ATOM 8 CE MET A 1 -5.624 -3.001 -15.959 1.00 0.00 C ATOM 0 H1 MET A 1 -0.483 0.289 -14.698 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.116 1.143 -13.373 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.272 -0.309 -13.123 1.00 0.00 H new ATOM 0 HA MET A 1 -2.909 -0.011 -14.485 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.334 -1.695 -15.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.217 -2.480 -13.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.780 -3.699 -15.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.639 -3.024 -14.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.420 -2.621 -16.599 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.328 -3.993 -16.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.982 -3.061 -14.931 1.00 0.00 H new ATOM 19 N LYS A 2 -4.178 -0.359 -12.420 1.00 0.00 N ATOM 20 CA LYS A 2 -4.983 -0.462 -11.174 1.00 0.00 C ATOM 21 C LYS A 2 -6.471 -0.870 -11.457 1.00 0.00 C ATOM 22 O LYS A 2 -7.375 -0.034 -11.510 1.00 0.00 O ATOM 23 CB LYS A 2 -4.825 0.804 -10.288 1.00 0.00 C ATOM 24 CG LYS A 2 -5.176 2.166 -10.909 1.00 0.00 C ATOM 25 CD LYS A 2 -5.140 3.298 -9.865 1.00 0.00 C ATOM 26 CE LYS A 2 -5.487 4.646 -10.511 1.00 0.00 C ATOM 27 NZ LYS A 2 -5.481 5.717 -9.494 1.00 0.00 N ATOM 0 H LYS A 2 -4.696 0.019 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.580 -1.285 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.445 0.671 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.790 0.848 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.475 2.390 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.169 2.116 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.846 3.082 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.150 3.350 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.767 4.877 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.468 4.589 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.717 6.624 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.184 5.502 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.537 5.780 -9.062 1.00 0.00 H new ATOM 40 N ALA A 3 -6.729 -2.178 -11.598 1.00 0.00 N ATOM 41 CA ALA A 3 -8.107 -2.742 -11.542 1.00 0.00 C ATOM 42 C ALA A 3 -8.335 -3.430 -10.159 1.00 0.00 C ATOM 43 O ALA A 3 -7.962 -4.587 -9.945 1.00 0.00 O ATOM 44 CB ALA A 3 -8.250 -3.698 -12.732 1.00 0.00 C ATOM 0 H ALA A 3 -6.004 -2.878 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.876 -1.973 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.248 -4.135 -12.729 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.097 -3.148 -13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.506 -4.491 -12.653 1.00 0.00 H new ATOM 50 N LEU A 4 -8.867 -2.658 -9.202 1.00 0.00 N ATOM 51 CA LEU A 4 -8.627 -2.906 -7.755 1.00 0.00 C ATOM 52 C LEU A 4 -9.915 -2.945 -6.878 1.00 0.00 C ATOM 53 O LEU A 4 -10.822 -2.121 -7.025 1.00 0.00 O ATOM 54 CB LEU A 4 -7.558 -1.882 -7.278 1.00 0.00 C ATOM 55 CG LEU A 4 -7.940 -0.424 -6.962 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.688 0.294 -6.417 1.00 0.00 C ATOM 57 CD2 LEU A 4 -8.478 0.381 -8.141 1.00 0.00 C ATOM 0 H LEU A 4 -9.467 -1.855 -9.393 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.247 -3.919 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.101 -2.294 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.783 -1.850 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.756 -0.477 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.935 1.330 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.346 -0.208 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.898 0.268 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.717 1.393 -7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.724 0.423 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.378 -0.097 -8.527 1.00 0.00 H new ATOM 69 N THR A 5 -9.969 -3.885 -5.923 1.00 0.00 N ATOM 70 CA THR A 5 -11.077 -3.973 -4.924 1.00 0.00 C ATOM 71 C THR A 5 -10.994 -2.877 -3.795 1.00 0.00 C ATOM 72 O THR A 5 -9.922 -2.336 -3.519 1.00 0.00 O ATOM 73 CB THR A 5 -11.138 -5.391 -4.253 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.984 -5.669 -3.462 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.320 -6.560 -5.215 1.00 0.00 C ATOM 0 H THR A 5 -9.258 -4.607 -5.810 1.00 0.00 H new ATOM 0 HA THR A 5 -11.987 -3.794 -5.497 1.00 0.00 H new ATOM 0 HB THR A 5 -12.033 -5.319 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.176 -5.495 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.350 -7.493 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.254 -6.438 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.487 -6.586 -5.917 1.00 0.00 H new ATOM 83 N ALA A 6 -12.116 -2.584 -3.118 1.00 0.00 N ATOM 84 CA ALA A 6 -12.177 -1.526 -2.068 1.00 0.00 C ATOM 85 C ALA A 6 -11.128 -1.554 -0.902 1.00 0.00 C ATOM 86 O ALA A 6 -10.546 -0.510 -0.607 1.00 0.00 O ATOM 87 CB ALA A 6 -13.619 -1.523 -1.536 1.00 0.00 C ATOM 0 H ALA A 6 -13.004 -3.062 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.885 -0.599 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.719 -0.763 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.307 -1.302 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.854 -2.501 -1.117 1.00 0.00 H new ATOM 93 N ARG A 7 -10.849 -2.714 -0.286 1.00 0.00 N ATOM 94 CA ARG A 7 -9.779 -2.826 0.748 1.00 0.00 C ATOM 95 C ARG A 7 -8.302 -2.673 0.218 1.00 0.00 C ATOM 96 O ARG A 7 -7.502 -2.021 0.893 1.00 0.00 O ATOM 97 CB ARG A 7 -9.928 -4.131 1.562 1.00 0.00 C ATOM 98 CG ARG A 7 -11.217 -4.319 2.387 1.00 0.00 C ATOM 99 CD ARG A 7 -11.540 -3.241 3.430 1.00 0.00 C ATOM 100 NE ARG A 7 -10.594 -3.257 4.569 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.536 -2.341 5.528 1.00 0.00 C ATOM 102 NH1 ARG A 7 -11.303 -1.295 5.602 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.654 -2.491 6.454 1.00 0.00 N ATOM 0 H ARG A 7 -11.339 -3.588 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.937 -1.962 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.848 -4.969 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.081 -4.199 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.056 -4.382 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.154 -5.279 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.516 -2.260 2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.554 -3.390 3.801 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.935 -4.033 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.014 -1.132 4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.194 -0.637 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.027 -3.295 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.582 -1.806 7.206 1.00 0.00 H new ATOM 116 N GLN A 8 -7.945 -3.208 -0.966 1.00 0.00 N ATOM 117 CA GLN A 8 -6.653 -2.851 -1.633 1.00 0.00 C ATOM 118 C GLN A 8 -6.542 -1.396 -2.219 1.00 0.00 C ATOM 119 O GLN A 8 -5.448 -0.831 -2.207 1.00 0.00 O ATOM 120 CB GLN A 8 -6.214 -3.985 -2.589 1.00 0.00 C ATOM 121 CG GLN A 8 -6.795 -3.977 -4.006 1.00 0.00 C ATOM 122 CD GLN A 8 -6.798 -5.304 -4.742 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.845 -5.876 -5.026 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.669 -5.831 -5.127 1.00 0.00 N ATOM 0 H GLN A 8 -8.514 -3.879 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.911 -2.783 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.127 -3.955 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.473 -4.936 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.821 -3.614 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.233 -3.257 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.788 -5.370 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.667 -6.704 -5.655 1.00 0.00 H new ATOM 133 N GLN A 9 -7.652 -0.778 -2.659 1.00 0.00 N ATOM 134 CA GLN A 9 -7.758 0.701 -2.853 1.00 0.00 C ATOM 135 C GLN A 9 -7.447 1.556 -1.575 1.00 0.00 C ATOM 136 O GLN A 9 -6.639 2.480 -1.661 1.00 0.00 O ATOM 137 CB GLN A 9 -9.165 0.999 -3.432 1.00 0.00 C ATOM 138 CG GLN A 9 -9.330 2.299 -4.248 1.00 0.00 C ATOM 139 CD GLN A 9 -9.152 3.617 -3.516 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.748 3.879 -2.478 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.343 4.508 -4.027 1.00 0.00 N ATOM 0 H GLN A 9 -8.508 -1.280 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.979 1.008 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.453 0.162 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.872 1.028 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.615 2.272 -5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.326 2.293 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.840 4.304 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.215 5.407 -3.562 1.00 0.00 H new ATOM 150 N GLU A 10 -8.021 1.222 -0.410 1.00 0.00 N ATOM 151 CA GLU A 10 -7.605 1.796 0.899 1.00 0.00 C ATOM 152 C GLU A 10 -6.088 1.604 1.278 1.00 0.00 C ATOM 153 O GLU A 10 -5.460 2.568 1.718 1.00 0.00 O ATOM 154 CB GLU A 10 -8.530 1.217 2.005 1.00 0.00 C ATOM 155 CG GLU A 10 -9.985 1.725 1.932 1.00 0.00 C ATOM 156 CD GLU A 10 -10.898 1.149 2.999 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.766 0.312 2.772 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.649 1.685 4.229 1.00 0.00 O ATOM 0 H GLU A 10 -8.785 0.550 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.713 2.877 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.531 0.129 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.116 1.470 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.984 2.812 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.394 1.484 0.951 1.00 0.00 H new ATOM 166 N VAL A 11 -5.507 0.412 1.067 1.00 0.00 N ATOM 167 CA VAL A 11 -4.023 0.187 1.157 1.00 0.00 C ATOM 168 C VAL A 11 -3.173 1.083 0.181 1.00 0.00 C ATOM 169 O VAL A 11 -2.225 1.727 0.634 1.00 0.00 O ATOM 170 CB VAL A 11 -3.726 -1.344 1.031 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.229 -1.695 0.947 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.291 -2.153 2.224 1.00 0.00 C ATOM 0 H VAL A 11 -6.033 -0.429 0.830 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.691 0.522 2.139 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.216 -1.612 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.113 -2.775 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.791 -1.213 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.722 -1.346 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.059 -3.209 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.840 -1.797 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.372 -2.022 2.273 1.00 0.00 H new ATOM 182 N PHE A 12 -3.531 1.146 -1.108 1.00 0.00 N ATOM 183 CA PHE A 12 -2.996 2.161 -2.064 1.00 0.00 C ATOM 184 C PHE A 12 -3.127 3.663 -1.628 1.00 0.00 C ATOM 185 O PHE A 12 -2.127 4.383 -1.649 1.00 0.00 O ATOM 186 CB PHE A 12 -3.659 1.820 -3.420 1.00 0.00 C ATOM 187 CG PHE A 12 -3.251 2.677 -4.622 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.906 2.811 -5.015 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.235 3.357 -5.351 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.561 3.618 -6.099 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.889 4.160 -6.437 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.552 4.292 -6.806 1.00 0.00 C ATOM 0 H PHE A 12 -4.199 0.501 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.910 2.090 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.438 0.779 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.740 1.897 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.135 2.284 -4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.273 3.258 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.526 3.720 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.657 4.679 -6.992 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.284 4.919 -7.643 1.00 0.00 H new ATOM 202 N ASP A 13 -4.308 4.104 -1.176 1.00 0.00 N ATOM 203 CA ASP A 13 -4.492 5.440 -0.543 1.00 0.00 C ATOM 204 C ASP A 13 -3.612 5.741 0.729 1.00 0.00 C ATOM 205 O ASP A 13 -3.148 6.871 0.870 1.00 0.00 O ATOM 206 CB ASP A 13 -6.008 5.580 -0.253 1.00 0.00 C ATOM 207 CG ASP A 13 -6.469 7.008 -0.033 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.819 7.761 -0.936 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.452 7.361 1.280 1.00 0.00 O ATOM 0 H ASP A 13 -5.167 3.556 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.129 6.194 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.567 5.154 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.254 4.990 0.630 1.00 0.00 H new ATOM 215 N LEU A 14 -3.367 4.763 1.608 1.00 0.00 N ATOM 216 CA LEU A 14 -2.423 4.899 2.764 1.00 0.00 C ATOM 217 C LEU A 14 -0.924 5.140 2.380 1.00 0.00 C ATOM 218 O LEU A 14 -0.293 6.028 2.959 1.00 0.00 O ATOM 219 CB LEU A 14 -2.684 3.645 3.631 1.00 0.00 C ATOM 220 CG LEU A 14 -2.194 3.562 5.085 1.00 0.00 C ATOM 221 CD1 LEU A 14 -0.685 3.423 5.238 1.00 0.00 C ATOM 222 CD2 LEU A 14 -2.725 4.694 5.964 1.00 0.00 C ATOM 0 H LEU A 14 -3.810 3.846 1.553 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.617 5.815 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.763 3.491 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.251 2.797 3.101 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.625 2.628 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.430 3.372 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.351 2.513 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.193 4.285 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.342 4.577 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.398 5.652 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.814 4.661 5.981 1.00 0.00 H new ATOM 234 N ILE A 15 -0.367 4.408 1.398 1.00 0.00 N ATOM 235 CA ILE A 15 0.949 4.767 0.760 1.00 0.00 C ATOM 236 C ILE A 15 0.995 6.136 0.019 1.00 0.00 C ATOM 237 O ILE A 15 1.938 6.897 0.259 1.00 0.00 O ATOM 238 CB ILE A 15 1.543 3.542 -0.002 1.00 0.00 C ATOM 239 CG1 ILE A 15 3.009 3.713 -0.475 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.668 2.939 -1.109 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.273 4.426 -1.798 1.00 0.00 C ATOM 0 H ILE A 15 -0.793 3.563 1.018 1.00 0.00 H new ATOM 0 HA ILE A 15 1.644 4.984 1.571 1.00 0.00 H new ATOM 0 HB ILE A 15 1.551 2.798 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.547 4.252 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.453 2.720 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.187 2.096 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.275 2.597 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.469 3.695 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.346 4.463 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.783 3.885 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.878 5.441 -1.749 1.00 0.00 H new ATOM 253 N ARG A 16 -0.003 6.489 -0.809 1.00 0.00 N ATOM 254 CA ARG A 16 -0.137 7.874 -1.347 1.00 0.00 C ATOM 255 C ARG A 16 -0.235 9.018 -0.260 1.00 0.00 C ATOM 256 O ARG A 16 0.487 10.010 -0.368 1.00 0.00 O ATOM 257 CB ARG A 16 -1.343 7.975 -2.316 1.00 0.00 C ATOM 258 CG ARG A 16 -1.221 7.162 -3.616 1.00 0.00 C ATOM 259 CD ARG A 16 -2.261 7.541 -4.682 1.00 0.00 C ATOM 260 NE ARG A 16 -3.590 6.946 -4.415 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.613 7.536 -3.827 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.605 8.749 -3.361 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.690 6.843 -3.694 1.00 0.00 N ATOM 0 H ARG A 16 -0.730 5.847 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 16 0.800 8.049 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.239 7.649 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.490 9.023 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.222 7.302 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.323 6.102 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.354 8.626 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.910 7.213 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.729 5.981 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.763 9.319 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.441 9.131 -2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.724 5.883 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.509 7.254 -3.246 1.00 0.00 H new ATOM 276 N ASP A 17 -1.074 8.853 0.773 1.00 0.00 N ATOM 277 CA ASP A 17 -1.127 9.765 1.946 1.00 0.00 C ATOM 278 C ASP A 17 0.210 9.904 2.745 1.00 0.00 C ATOM 279 O ASP A 17 0.654 11.034 2.948 1.00 0.00 O ATOM 280 CB ASP A 17 -2.317 9.286 2.817 1.00 0.00 C ATOM 281 CG ASP A 17 -2.694 10.220 3.949 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.612 11.030 3.885 1.00 0.00 O ATOM 283 OD2 ASP A 17 -1.876 10.079 5.027 1.00 0.00 O ATOM 0 H ASP A 17 -1.741 8.083 0.827 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.278 10.787 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.186 9.148 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.072 8.310 3.236 1.00 0.00 H new ATOM 289 N HIS A 18 0.836 8.807 3.199 1.00 0.00 N ATOM 290 CA HIS A 18 2.064 8.884 4.040 1.00 0.00 C ATOM 291 C HIS A 18 3.355 9.424 3.337 1.00 0.00 C ATOM 292 O HIS A 18 4.088 10.185 3.972 1.00 0.00 O ATOM 293 CB HIS A 18 2.256 7.515 4.733 1.00 0.00 C ATOM 294 CG HIS A 18 3.067 7.587 6.042 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.617 8.289 7.151 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.342 7.045 6.299 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.706 8.152 7.968 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.757 7.370 7.575 1.00 0.00 N ATOM 0 H HIS A 18 0.522 7.856 3.005 1.00 0.00 H new ATOM 0 HA HIS A 18 1.900 9.664 4.784 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.277 7.086 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.758 6.836 4.043 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.731 8.768 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.914 6.458 5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.736 8.660 8.921 1.00 0.00 H new ATOM 306 N ILE A 19 3.599 9.115 2.051 1.00 0.00 N ATOM 307 CA ILE A 19 4.656 9.813 1.241 1.00 0.00 C ATOM 308 C ILE A 19 4.308 11.326 0.968 1.00 0.00 C ATOM 309 O ILE A 19 5.171 12.176 1.187 1.00 0.00 O ATOM 310 CB ILE A 19 4.993 9.014 -0.084 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.532 7.595 0.262 1.00 0.00 C ATOM 312 CG2 ILE A 19 6.040 9.755 -0.959 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.887 6.697 -0.920 1.00 0.00 C ATOM 0 H ILE A 19 3.091 8.394 1.538 1.00 0.00 H new ATOM 0 HA ILE A 19 5.565 9.824 1.843 1.00 0.00 H new ATOM 0 HB ILE A 19 4.066 8.933 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.420 7.709 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.783 7.083 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.242 9.172 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.651 10.733 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.963 9.881 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.250 5.738 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.001 6.538 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.664 7.173 -1.519 1.00 0.00 H new ATOM 325 N SER A 20 3.091 11.669 0.516 1.00 0.00 N ATOM 326 CA SER A 20 2.679 13.093 0.350 1.00 0.00 C ATOM 327 C SER A 20 2.607 13.997 1.637 1.00 0.00 C ATOM 328 O SER A 20 2.793 15.209 1.512 1.00 0.00 O ATOM 329 CB SER A 20 1.317 13.118 -0.387 1.00 0.00 C ATOM 330 OG SER A 20 0.959 14.448 -0.768 1.00 0.00 O ATOM 0 H SER A 20 2.372 10.993 0.258 1.00 0.00 H new ATOM 0 HA SER A 20 3.491 13.549 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.368 12.485 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.544 12.701 0.258 1.00 0.00 H new ATOM 0 HG SER A 20 0.096 14.434 -1.232 1.00 0.00 H new ATOM 336 N GLN A 21 2.302 13.438 2.812 1.00 0.00 N ATOM 337 CA GLN A 21 2.274 14.186 4.097 1.00 0.00 C ATOM 338 C GLN A 21 3.619 14.139 4.912 1.00 0.00 C ATOM 339 O GLN A 21 4.010 15.171 5.459 1.00 0.00 O ATOM 340 CB GLN A 21 1.091 13.662 4.965 1.00 0.00 C ATOM 341 CG GLN A 21 -0.300 14.022 4.393 1.00 0.00 C ATOM 342 CD GLN A 21 -1.493 13.443 5.137 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.424 12.576 6.003 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.676 13.857 4.761 1.00 0.00 N ATOM 0 H GLN A 21 2.065 12.451 2.911 1.00 0.00 H new ATOM 0 HA GLN A 21 2.136 15.237 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.169 12.579 5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.179 14.073 5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.396 15.108 4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.344 13.686 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.760 14.577 4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.514 13.460 5.186 1.00 0.00 H new ATOM 353 N THR A 22 4.285 12.978 5.019 1.00 0.00 N ATOM 354 CA THR A 22 5.558 12.833 5.787 1.00 0.00 C ATOM 355 C THR A 22 6.879 12.642 4.950 1.00 0.00 C ATOM 356 O THR A 22 7.960 12.834 5.512 1.00 0.00 O ATOM 357 CB THR A 22 5.479 11.685 6.856 1.00 0.00 C ATOM 358 OG1 THR A 22 5.437 10.384 6.275 1.00 0.00 O ATOM 359 CG2 THR A 22 4.318 11.793 7.840 1.00 0.00 C ATOM 0 H THR A 22 3.969 12.112 4.583 1.00 0.00 H new ATOM 0 HA THR A 22 5.641 13.812 6.260 1.00 0.00 H new ATOM 0 HB THR A 22 6.406 11.824 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.870 10.401 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.352 10.955 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.397 12.728 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.375 11.773 7.294 1.00 0.00 H new ATOM 367 N GLY A 23 6.817 12.235 3.673 1.00 0.00 N ATOM 368 CA GLY A 23 8.025 11.908 2.870 1.00 0.00 C ATOM 369 C GLY A 23 8.355 10.412 2.685 1.00 0.00 C ATOM 370 O GLY A 23 8.664 9.983 1.572 1.00 0.00 O ATOM 0 H GLY A 23 5.941 12.121 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.907 12.354 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.884 12.390 3.337 1.00 0.00 H new ATOM 374 N MET A 24 8.349 9.642 3.774 1.00 0.00 N ATOM 375 CA MET A 24 8.743 8.214 3.769 1.00 0.00 C ATOM 376 C MET A 24 7.587 7.191 3.482 1.00 0.00 C ATOM 377 O MET A 24 6.446 7.456 3.874 1.00 0.00 O ATOM 378 CB MET A 24 9.491 7.882 5.089 1.00 0.00 C ATOM 379 CG MET A 24 8.728 8.022 6.414 1.00 0.00 C ATOM 380 SD MET A 24 8.688 9.740 6.949 1.00 0.00 S ATOM 381 CE MET A 24 7.980 9.511 8.588 1.00 0.00 C ATOM 0 H MET A 24 8.071 9.984 4.694 1.00 0.00 H new ATOM 0 HA MET A 24 9.407 8.088 2.914 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.849 6.855 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.371 8.523 5.143 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.711 7.650 6.294 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.204 7.409 7.179 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.878 10.479 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.999 9.045 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.633 8.871 9.180 1.00 0.00 H new ATOM 391 N PRO A 25 7.821 5.996 2.864 1.00 0.00 N ATOM 392 CA PRO A 25 6.776 4.925 2.763 1.00 0.00 C ATOM 393 C PRO A 25 6.255 4.329 4.111 1.00 0.00 C ATOM 394 O PRO A 25 7.043 4.244 5.059 1.00 0.00 O ATOM 395 CB PRO A 25 7.479 3.835 1.910 1.00 0.00 C ATOM 396 CG PRO A 25 8.583 4.579 1.135 1.00 0.00 C ATOM 397 CD PRO A 25 9.047 5.677 2.103 1.00 0.00 C ATOM 0 HA PRO A 25 5.862 5.339 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.900 3.052 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.777 3.353 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.402 3.911 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.201 5.002 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.847 5.327 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.429 6.548 1.571 1.00 0.00 H new ATOM 405 N PRO A 26 4.978 3.884 4.258 1.00 0.00 N ATOM 406 CA PRO A 26 4.468 3.335 5.553 1.00 0.00 C ATOM 407 C PRO A 26 4.878 1.867 5.858 1.00 0.00 C ATOM 408 O PRO A 26 4.987 1.010 4.976 1.00 0.00 O ATOM 409 CB PRO A 26 2.936 3.499 5.369 1.00 0.00 C ATOM 410 CG PRO A 26 2.714 3.295 3.854 1.00 0.00 C ATOM 411 CD PRO A 26 3.946 3.947 3.205 1.00 0.00 C ATOM 0 HA PRO A 26 4.887 3.852 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.383 2.765 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.599 4.484 5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.642 2.237 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.790 3.767 3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.257 3.410 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.743 4.975 2.906 1.00 0.00 H new ATOM 419 N THR A 27 5.049 1.588 7.149 1.00 0.00 N ATOM 420 CA THR A 27 5.371 0.228 7.655 1.00 0.00 C ATOM 421 C THR A 27 4.147 -0.762 7.649 1.00 0.00 C ATOM 422 O THR A 27 2.979 -0.372 7.560 1.00 0.00 O ATOM 423 CB THR A 27 5.976 0.314 9.102 1.00 0.00 C ATOM 424 OG1 THR A 27 5.119 1.009 10.006 1.00 0.00 O ATOM 425 CG2 THR A 27 7.346 0.978 9.166 1.00 0.00 C ATOM 0 H THR A 27 4.971 2.290 7.885 1.00 0.00 H new ATOM 0 HA THR A 27 6.104 -0.182 6.960 1.00 0.00 H new ATOM 0 HB THR A 27 6.080 -0.730 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.086 1.958 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.693 0.998 10.199 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.052 0.414 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.274 1.998 8.788 1.00 0.00 H new ATOM 433 N ARG A 28 4.447 -2.058 7.800 1.00 0.00 N ATOM 434 CA ARG A 28 3.438 -3.148 7.896 1.00 0.00 C ATOM 435 C ARG A 28 2.291 -2.955 8.972 1.00 0.00 C ATOM 436 O ARG A 28 1.121 -3.194 8.660 1.00 0.00 O ATOM 437 CB ARG A 28 4.170 -4.491 8.175 1.00 0.00 C ATOM 438 CG ARG A 28 5.094 -5.069 7.088 1.00 0.00 C ATOM 439 CD ARG A 28 6.462 -4.385 6.969 1.00 0.00 C ATOM 440 NE ARG A 28 7.426 -5.263 6.269 1.00 0.00 N ATOM 441 CZ ARG A 28 7.673 -5.285 4.971 1.00 0.00 C ATOM 442 NH1 ARG A 28 7.107 -4.508 4.095 1.00 0.00 N ATOM 443 NH2 ARG A 28 8.548 -6.135 4.559 1.00 0.00 N ATOM 0 H ARG A 28 5.408 -2.395 7.861 1.00 0.00 H new ATOM 0 HA ARG A 28 2.924 -3.136 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.764 -4.362 9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.411 -5.241 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.251 -6.128 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.586 -5.001 6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.358 -3.445 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.840 -4.140 7.962 1.00 0.00 H new ATOM 0 HE ARG A 28 7.953 -5.917 6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.417 -3.819 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.353 -4.588 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.014 -6.751 5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.775 -6.192 3.566 1.00 0.00 H new ATOM 456 N ALA A 29 2.642 -2.504 10.188 1.00 0.00 N ATOM 457 CA ALA A 29 1.661 -2.075 11.213 1.00 0.00 C ATOM 458 C ALA A 29 0.833 -0.779 10.913 1.00 0.00 C ATOM 459 O ALA A 29 -0.346 -0.754 11.259 1.00 0.00 O ATOM 460 CB ALA A 29 2.442 -1.947 12.531 1.00 0.00 C ATOM 0 H ALA A 29 3.612 -2.425 10.493 1.00 0.00 H new ATOM 0 HA ALA A 29 0.878 -2.833 11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.766 -1.632 13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.881 -2.911 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.234 -1.207 12.414 1.00 0.00 H new ATOM 466 N GLU A 30 1.400 0.253 10.264 1.00 0.00 N ATOM 467 CA GLU A 30 0.603 1.393 9.712 1.00 0.00 C ATOM 468 C GLU A 30 -0.467 0.982 8.627 1.00 0.00 C ATOM 469 O GLU A 30 -1.638 1.337 8.764 1.00 0.00 O ATOM 470 CB GLU A 30 1.568 2.455 9.122 1.00 0.00 C ATOM 471 CG GLU A 30 2.391 3.244 10.159 1.00 0.00 C ATOM 472 CD GLU A 30 3.432 4.131 9.496 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.560 3.748 9.202 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.968 5.383 9.245 1.00 0.00 O ATOM 0 H GLU A 30 2.404 0.333 10.103 1.00 0.00 H new ATOM 0 HA GLU A 30 0.033 1.797 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.256 1.957 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.986 3.162 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.723 3.857 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.885 2.548 10.837 1.00 0.00 H new ATOM 482 N ILE A 31 -0.067 0.197 7.616 1.00 0.00 N ATOM 483 CA ILE A 31 -1.001 -0.418 6.617 1.00 0.00 C ATOM 484 C ILE A 31 -2.134 -1.310 7.254 1.00 0.00 C ATOM 485 O ILE A 31 -3.291 -1.192 6.849 1.00 0.00 O ATOM 486 CB ILE A 31 -0.138 -1.181 5.538 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.759 -0.204 4.712 1.00 0.00 C ATOM 488 CG2 ILE A 31 -0.997 -1.987 4.534 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.989 -0.882 4.107 1.00 0.00 C ATOM 0 H ILE A 31 0.912 -0.040 7.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.564 0.380 6.134 1.00 0.00 H new ATOM 0 HB ILE A 31 0.479 -1.869 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.164 0.236 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.083 0.614 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.346 -2.488 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.585 -2.730 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.667 -1.310 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.569 -0.149 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.604 -1.299 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.671 -1.682 3.438 1.00 0.00 H new ATOM 501 N ALA A 32 -1.811 -2.177 8.226 1.00 0.00 N ATOM 502 CA ALA A 32 -2.824 -2.959 8.966 1.00 0.00 C ATOM 503 C ALA A 32 -3.715 -2.177 9.986 1.00 0.00 C ATOM 504 O ALA A 32 -4.936 -2.319 9.950 1.00 0.00 O ATOM 505 CB ALA A 32 -2.073 -4.127 9.627 1.00 0.00 C ATOM 0 H ALA A 32 -0.852 -2.358 8.522 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.571 -3.293 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.777 -4.740 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.596 -4.735 8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.313 -3.735 10.303 1.00 0.00 H new ATOM 511 N GLN A 33 -3.130 -1.416 10.916 1.00 0.00 N ATOM 512 CA GLN A 33 -3.868 -0.855 12.080 1.00 0.00 C ATOM 513 C GLN A 33 -4.520 0.548 11.870 1.00 0.00 C ATOM 514 O GLN A 33 -5.626 0.748 12.374 1.00 0.00 O ATOM 515 CB GLN A 33 -2.956 -0.871 13.333 1.00 0.00 C ATOM 516 CG GLN A 33 -2.403 -2.246 13.777 1.00 0.00 C ATOM 517 CD GLN A 33 -3.413 -3.298 14.205 1.00 0.00 C ATOM 518 OE1 GLN A 33 -3.714 -3.466 15.379 1.00 0.00 O ATOM 519 NE2 GLN A 33 -3.957 -4.062 13.289 1.00 0.00 N ATOM 0 H GLN A 33 -2.141 -1.166 10.895 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.726 -1.513 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.110 -0.209 13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.516 -0.445 14.166 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.817 -2.656 12.954 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.715 -2.081 14.607 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.715 -3.932 12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.623 -4.786 13.559 1.00 0.00 H new ATOM 528 N ARG A 34 -3.899 1.494 11.140 1.00 0.00 N ATOM 529 CA ARG A 34 -4.573 2.781 10.782 1.00 0.00 C ATOM 530 C ARG A 34 -5.838 2.649 9.846 1.00 0.00 C ATOM 531 O ARG A 34 -6.819 3.364 10.055 1.00 0.00 O ATOM 532 CB ARG A 34 -3.573 3.795 10.170 1.00 0.00 C ATOM 533 CG ARG A 34 -2.401 4.201 11.088 1.00 0.00 C ATOM 534 CD ARG A 34 -1.652 5.462 10.632 1.00 0.00 C ATOM 535 NE ARG A 34 -0.944 5.262 9.346 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.236 6.185 8.715 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.019 7.386 9.163 1.00 0.00 N ATOM 538 NH2 ARG A 34 0.266 5.875 7.571 1.00 0.00 N ATOM 0 H ARG A 34 -2.947 1.405 10.786 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.949 3.150 11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.164 3.369 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.120 4.694 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.783 4.363 12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.695 3.373 11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.359 6.285 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.933 5.752 11.398 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.007 4.341 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.407 7.673 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.539 8.041 8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.112 4.945 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.818 6.559 7.054 1.00 0.00 H new ATOM 551 N LEU A 35 -5.822 1.733 8.870 1.00 0.00 N ATOM 552 CA LEU A 35 -7.028 1.377 8.072 1.00 0.00 C ATOM 553 C LEU A 35 -8.070 0.379 8.727 1.00 0.00 C ATOM 554 O LEU A 35 -9.153 0.196 8.163 1.00 0.00 O ATOM 555 CB LEU A 35 -6.540 0.766 6.730 1.00 0.00 C ATOM 556 CG LEU A 35 -5.724 1.694 5.802 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.200 0.858 4.631 1.00 0.00 C ATOM 558 CD2 LEU A 35 -6.542 2.877 5.279 1.00 0.00 C ATOM 0 H LEU A 35 -4.985 1.214 8.603 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.583 2.310 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.932 -0.110 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.412 0.415 6.179 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.903 2.120 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.620 1.493 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.566 0.057 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.040 0.428 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.917 3.494 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.396 2.507 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.896 3.474 6.119 1.00 0.00 H new ATOM 570 N GLY A 36 -7.753 -0.257 9.864 1.00 0.00 N ATOM 571 CA GLY A 36 -8.678 -1.186 10.554 1.00 0.00 C ATOM 572 C GLY A 36 -8.804 -2.612 9.990 1.00 0.00 C ATOM 573 O GLY A 36 -9.920 -3.065 9.737 1.00 0.00 O ATOM 0 H GLY A 36 -6.855 -0.147 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.363 -1.263 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.670 -0.735 10.553 1.00 0.00 H new ATOM 577 N PHE A 37 -7.683 -3.324 9.848 1.00 0.00 N ATOM 578 CA PHE A 37 -7.673 -4.735 9.396 1.00 0.00 C ATOM 579 C PHE A 37 -7.607 -5.729 10.600 1.00 0.00 C ATOM 580 O PHE A 37 -6.782 -5.595 11.510 1.00 0.00 O ATOM 581 CB PHE A 37 -6.453 -4.994 8.466 1.00 0.00 C ATOM 582 CG PHE A 37 -6.638 -4.488 7.033 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.341 -5.270 6.106 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.090 -3.267 6.609 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.507 -4.835 4.793 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.240 -2.844 5.288 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.951 -3.627 4.382 1.00 0.00 C ATOM 0 H PHE A 37 -6.754 -2.948 10.040 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.603 -4.905 8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.574 -4.516 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.252 -6.065 8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.758 -6.218 6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.548 -2.650 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.068 -5.436 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.805 -1.909 4.968 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.071 -3.297 3.361 1.00 0.00 H new ATOM 597 N ARG A 38 -8.427 -6.778 10.530 1.00 0.00 N ATOM 598 CA ARG A 38 -8.441 -7.875 11.536 1.00 0.00 C ATOM 599 C ARG A 38 -7.133 -8.755 11.597 1.00 0.00 C ATOM 600 O ARG A 38 -6.690 -9.106 12.691 1.00 0.00 O ATOM 601 CB ARG A 38 -9.678 -8.781 11.269 1.00 0.00 C ATOM 602 CG ARG A 38 -11.054 -8.072 11.283 1.00 0.00 C ATOM 603 CD ARG A 38 -11.845 -8.189 9.968 1.00 0.00 C ATOM 604 NE ARG A 38 -11.204 -7.538 8.796 1.00 0.00 N ATOM 605 CZ ARG A 38 -11.310 -6.262 8.451 1.00 0.00 C ATOM 606 NH1 ARG A 38 -11.932 -5.361 9.149 1.00 0.00 N ATOM 607 NH2 ARG A 38 -10.745 -5.894 7.353 1.00 0.00 N ATOM 0 H ARG A 38 -9.106 -6.904 9.779 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.494 -7.389 12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.549 -9.262 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.692 -9.573 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.655 -8.488 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.903 -7.016 11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.994 -9.245 9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.833 -7.751 10.114 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.626 -8.130 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.381 -5.617 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.971 -4.397 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.240 -6.575 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.802 -4.921 7.051 1.00 0.00 H new ATOM 620 N SER A 39 -6.544 -9.089 10.439 1.00 0.00 N ATOM 621 CA SER A 39 -5.220 -9.745 10.359 1.00 0.00 C ATOM 622 C SER A 39 -4.195 -8.862 9.568 1.00 0.00 C ATOM 623 O SER A 39 -4.470 -8.550 8.402 1.00 0.00 O ATOM 624 CB SER A 39 -5.414 -11.121 9.669 1.00 0.00 C ATOM 625 OG SER A 39 -4.182 -11.840 9.607 1.00 0.00 O ATOM 0 H SER A 39 -6.968 -8.914 9.528 1.00 0.00 H new ATOM 0 HA SER A 39 -4.811 -9.879 11.360 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.153 -11.706 10.217 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.805 -10.975 8.662 1.00 0.00 H new ATOM 0 HG SER A 39 -4.329 -12.705 9.170 1.00 0.00 H new ATOM 631 N PRO A 40 -2.992 -8.500 10.092 1.00 0.00 N ATOM 632 CA PRO A 40 -1.873 -7.939 9.254 1.00 0.00 C ATOM 633 C PRO A 40 -1.453 -8.699 7.967 1.00 0.00 C ATOM 634 O PRO A 40 -1.178 -8.061 6.950 1.00 0.00 O ATOM 635 CB PRO A 40 -0.721 -7.794 10.281 1.00 0.00 C ATOM 636 CG PRO A 40 -1.447 -7.609 11.635 1.00 0.00 C ATOM 637 CD PRO A 40 -2.657 -8.555 11.530 1.00 0.00 C ATOM 0 HA PRO A 40 -2.200 -7.012 8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.080 -8.676 10.289 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.085 -6.940 10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.803 -7.873 12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.758 -6.575 11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.408 -9.567 11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.487 -8.220 12.152 1.00 0.00 H new ATOM 645 N ASN A 41 -1.474 -10.041 7.981 1.00 0.00 N ATOM 646 CA ASN A 41 -1.323 -10.870 6.754 1.00 0.00 C ATOM 647 C ASN A 41 -2.384 -10.619 5.613 1.00 0.00 C ATOM 648 O ASN A 41 -2.001 -10.658 4.444 1.00 0.00 O ATOM 649 CB ASN A 41 -1.324 -12.375 7.129 1.00 0.00 C ATOM 650 CG ASN A 41 -0.172 -12.835 8.004 1.00 0.00 C ATOM 651 OD1 ASN A 41 -0.264 -12.863 9.224 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.944 -13.211 7.435 1.00 0.00 N ATOM 0 H ASN A 41 -1.595 -10.588 8.833 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.369 -10.557 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.259 -12.603 7.641 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.314 -12.960 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.728 -13.524 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.030 -13.191 6.419 1.00 0.00 H new ATOM 659 N ALA A 42 -3.658 -10.333 5.936 1.00 0.00 N ATOM 660 CA ALA A 42 -4.621 -9.777 4.947 1.00 0.00 C ATOM 661 C ALA A 42 -4.267 -8.353 4.392 1.00 0.00 C ATOM 662 O ALA A 42 -4.244 -8.181 3.174 1.00 0.00 O ATOM 663 CB ALA A 42 -6.014 -9.817 5.593 1.00 0.00 C ATOM 0 H ALA A 42 -4.051 -10.474 6.867 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.579 -10.398 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.750 -9.416 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.271 -10.847 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.011 -9.216 6.503 1.00 0.00 H new ATOM 669 N ALA A 43 -3.949 -7.377 5.257 1.00 0.00 N ATOM 670 CA ALA A 43 -3.434 -6.045 4.835 1.00 0.00 C ATOM 671 C ALA A 43 -2.166 -6.025 3.910 1.00 0.00 C ATOM 672 O ALA A 43 -2.174 -5.370 2.865 1.00 0.00 O ATOM 673 CB ALA A 43 -3.180 -5.272 6.139 1.00 0.00 C ATOM 0 H ALA A 43 -4.038 -7.479 6.268 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.184 -5.592 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.798 -4.278 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.113 -5.180 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.449 -5.808 6.743 1.00 0.00 H new ATOM 679 N GLU A 44 -1.116 -6.772 4.277 1.00 0.00 N ATOM 680 CA GLU A 44 0.072 -6.990 3.416 1.00 0.00 C ATOM 681 C GLU A 44 -0.166 -7.877 2.136 1.00 0.00 C ATOM 682 O GLU A 44 0.444 -7.587 1.107 1.00 0.00 O ATOM 683 CB GLU A 44 1.225 -7.548 4.289 1.00 0.00 C ATOM 684 CG GLU A 44 1.998 -6.508 5.129 1.00 0.00 C ATOM 685 CD GLU A 44 1.309 -5.930 6.353 1.00 0.00 C ATOM 686 OE1 GLU A 44 1.289 -6.479 7.449 1.00 0.00 O ATOM 687 OE2 GLU A 44 0.773 -4.701 6.121 1.00 0.00 O ATOM 0 H GLU A 44 -1.059 -7.246 5.178 1.00 0.00 H new ATOM 0 HA GLU A 44 0.333 -6.017 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.813 -8.298 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.934 -8.060 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.930 -6.968 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.265 -5.680 4.473 1.00 0.00 H new ATOM 695 N GLU A 45 -1.055 -8.885 2.151 1.00 0.00 N ATOM 696 CA GLU A 45 -1.543 -9.532 0.895 1.00 0.00 C ATOM 697 C GLU A 45 -2.379 -8.621 -0.073 1.00 0.00 C ATOM 698 O GLU A 45 -2.225 -8.774 -1.286 1.00 0.00 O ATOM 699 CB GLU A 45 -2.279 -10.835 1.280 1.00 0.00 C ATOM 700 CG GLU A 45 -2.783 -11.723 0.124 1.00 0.00 C ATOM 701 CD GLU A 45 -1.726 -12.246 -0.834 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.202 -13.349 -0.722 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.436 -11.350 -1.824 1.00 0.00 O ATOM 0 H GLU A 45 -1.454 -9.275 3.005 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.665 -9.750 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.609 -11.432 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.135 -10.570 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.309 -12.576 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.514 -11.154 -0.451 1.00 0.00 H new ATOM 711 N HIS A 46 -3.214 -7.698 0.424 1.00 0.00 N ATOM 712 CA HIS A 46 -3.781 -6.592 -0.402 1.00 0.00 C ATOM 713 C HIS A 46 -2.721 -5.610 -1.035 1.00 0.00 C ATOM 714 O HIS A 46 -2.860 -5.265 -2.210 1.00 0.00 O ATOM 715 CB HIS A 46 -4.807 -5.799 0.438 1.00 0.00 C ATOM 716 CG HIS A 46 -6.152 -6.497 0.675 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.017 -6.877 -0.343 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.736 -6.748 1.926 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.061 -7.346 0.407 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.983 -7.314 1.771 1.00 0.00 N ATOM 0 H HIS A 46 -3.520 -7.685 1.397 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.256 -7.076 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.360 -5.573 1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.995 -4.846 -0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.273 -6.528 2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.943 -7.740 -0.077 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.656 -7.621 2.474 1.00 0.00 H new ATOM 728 N LEU A 47 -1.664 -5.223 -0.298 1.00 0.00 N ATOM 729 CA LEU A 47 -0.450 -4.581 -0.888 1.00 0.00 C ATOM 730 C LEU A 47 0.249 -5.416 -2.026 1.00 0.00 C ATOM 731 O LEU A 47 0.491 -4.866 -3.097 1.00 0.00 O ATOM 732 CB LEU A 47 0.522 -4.275 0.287 1.00 0.00 C ATOM 733 CG LEU A 47 1.686 -3.309 -0.032 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.244 -1.845 0.042 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.836 -3.531 0.965 1.00 0.00 C ATOM 0 H LEU A 47 -1.616 -5.340 0.714 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.757 -3.669 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.056 -3.857 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.943 -5.217 0.639 1.00 0.00 H new ATOM 0 HG LEU A 47 2.017 -3.520 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.090 -1.197 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.445 -1.669 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.881 -1.625 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.654 -2.848 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.480 -3.344 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.190 -4.559 0.889 1.00 0.00 H new ATOM 747 N LYS A 48 0.523 -6.713 -1.812 1.00 0.00 N ATOM 748 CA LYS A 48 1.079 -7.624 -2.854 1.00 0.00 C ATOM 749 C LYS A 48 0.180 -7.850 -4.123 1.00 0.00 C ATOM 750 O LYS A 48 0.689 -7.739 -5.238 1.00 0.00 O ATOM 751 CB LYS A 48 1.432 -8.982 -2.189 1.00 0.00 C ATOM 752 CG LYS A 48 2.610 -8.924 -1.194 1.00 0.00 C ATOM 753 CD LYS A 48 2.745 -10.248 -0.422 1.00 0.00 C ATOM 754 CE LYS A 48 3.902 -10.200 0.580 1.00 0.00 C ATOM 755 NZ LYS A 48 3.963 -11.481 1.312 1.00 0.00 N ATOM 0 H LYS A 48 0.369 -7.171 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 48 1.963 -7.122 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.551 -9.356 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.669 -9.703 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.535 -8.716 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.458 -8.104 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.815 -10.459 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.905 -11.065 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.843 -10.020 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.761 -9.375 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.747 -11.454 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.068 -11.634 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.117 -12.259 0.639 1.00 0.00 H new ATOM 768 N ALA A 49 -1.125 -8.124 -3.962 1.00 0.00 N ATOM 769 CA ALA A 49 -2.088 -8.161 -5.095 1.00 0.00 C ATOM 770 C ALA A 49 -2.274 -6.842 -5.928 1.00 0.00 C ATOM 771 O ALA A 49 -2.436 -6.911 -7.147 1.00 0.00 O ATOM 772 CB ALA A 49 -3.425 -8.631 -4.494 1.00 0.00 C ATOM 0 H ALA A 49 -1.547 -8.325 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.678 -8.836 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.180 -8.680 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.298 -9.619 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.746 -7.928 -3.726 1.00 0.00 H new ATOM 778 N LEU A 50 -2.251 -5.674 -5.274 1.00 0.00 N ATOM 779 CA LEU A 50 -2.197 -4.349 -5.962 1.00 0.00 C ATOM 780 C LEU A 50 -0.822 -4.006 -6.617 1.00 0.00 C ATOM 781 O LEU A 50 -0.798 -3.601 -7.782 1.00 0.00 O ATOM 782 CB LEU A 50 -2.740 -3.347 -4.918 1.00 0.00 C ATOM 783 CG LEU A 50 -2.988 -1.879 -5.296 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.713 -1.049 -5.178 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.619 -1.662 -6.669 1.00 0.00 C ATOM 0 H LEU A 50 -2.269 -5.605 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.815 -4.325 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.685 -3.748 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.044 -3.349 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.725 -1.539 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.925 -0.016 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.350 -1.084 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.952 -1.453 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.754 -0.594 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.967 -2.076 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.587 -2.161 -6.707 1.00 0.00 H new ATOM 797 N ALA A 51 0.307 -4.194 -5.916 1.00 0.00 N ATOM 798 CA ALA A 51 1.664 -4.056 -6.505 1.00 0.00 C ATOM 799 C ALA A 51 2.045 -4.978 -7.710 1.00 0.00 C ATOM 800 O ALA A 51 2.709 -4.511 -8.636 1.00 0.00 O ATOM 801 CB ALA A 51 2.653 -4.244 -5.343 1.00 0.00 C ATOM 0 H ALA A 51 0.314 -4.445 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 51 1.696 -3.072 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.673 -4.153 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.474 -3.481 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.514 -5.232 -4.903 1.00 0.00 H new ATOM 807 N ARG A 52 1.593 -6.242 -7.724 1.00 0.00 N ATOM 808 CA ARG A 52 1.700 -7.135 -8.916 1.00 0.00 C ATOM 809 C ARG A 52 1.084 -6.626 -10.270 1.00 0.00 C ATOM 810 O ARG A 52 1.571 -7.030 -11.329 1.00 0.00 O ATOM 811 CB ARG A 52 1.119 -8.500 -8.457 1.00 0.00 C ATOM 812 CG ARG A 52 1.201 -9.672 -9.449 1.00 0.00 C ATOM 813 CD ARG A 52 2.628 -10.102 -9.807 1.00 0.00 C ATOM 814 NE ARG A 52 2.600 -11.173 -10.833 1.00 0.00 N ATOM 815 CZ ARG A 52 2.539 -10.984 -12.144 1.00 0.00 C ATOM 816 NH1 ARG A 52 2.451 -9.821 -12.723 1.00 0.00 N ATOM 817 NH2 ARG A 52 2.561 -12.033 -12.892 1.00 0.00 N ATOM 0 H ARG A 52 1.144 -6.683 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 52 2.749 -7.189 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.634 -8.795 -7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.071 -8.350 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.672 -10.527 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.678 -9.394 -10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.190 -9.246 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.143 -10.457 -8.914 1.00 0.00 H new ATOM 0 HE ARG A 52 2.630 -12.137 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.425 -8.971 -12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.409 -9.760 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.623 -12.959 -12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.516 -11.937 -13.906 1.00 0.00 H new ATOM 830 N LYS A 53 0.064 -5.755 -10.246 1.00 0.00 N ATOM 831 CA LYS A 53 -0.435 -5.068 -11.463 1.00 0.00 C ATOM 832 C LYS A 53 0.521 -3.964 -12.055 1.00 0.00 C ATOM 833 O LYS A 53 0.761 -3.988 -13.265 1.00 0.00 O ATOM 834 CB LYS A 53 -1.833 -4.456 -11.180 1.00 0.00 C ATOM 835 CG LYS A 53 -2.973 -5.476 -11.000 1.00 0.00 C ATOM 836 CD LYS A 53 -4.338 -4.790 -10.800 1.00 0.00 C ATOM 837 CE LYS A 53 -4.580 -4.209 -9.402 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.923 -5.275 -8.441 1.00 0.00 N ATOM 0 H LYS A 53 -0.439 -5.504 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.487 -5.841 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.769 -3.845 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.092 -3.787 -12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.019 -6.126 -11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.758 -6.112 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.433 -3.987 -11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.125 -5.513 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.688 -3.682 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.387 -3.477 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.433 -4.863 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.527 -5.982 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.052 -5.732 -8.104 1.00 0.00 H new ATOM 851 N GLY A 54 1.013 -2.999 -11.255 1.00 0.00 N ATOM 852 CA GLY A 54 1.874 -1.914 -11.794 1.00 0.00 C ATOM 853 C GLY A 54 2.122 -0.661 -10.935 1.00 0.00 C ATOM 854 O GLY A 54 3.245 -0.157 -10.933 1.00 0.00 O ATOM 0 H GLY A 54 0.837 -2.942 -10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.845 -2.350 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.437 -1.585 -12.737 1.00 0.00 H new ATOM 858 N VAL A 55 1.094 -0.110 -10.280 1.00 0.00 N ATOM 859 CA VAL A 55 1.172 1.237 -9.627 1.00 0.00 C ATOM 860 C VAL A 55 2.184 1.460 -8.437 1.00 0.00 C ATOM 861 O VAL A 55 2.724 2.564 -8.313 1.00 0.00 O ATOM 862 CB VAL A 55 -0.242 1.808 -9.257 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.090 2.139 -10.499 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.077 0.920 -8.318 1.00 0.00 C ATOM 0 H VAL A 55 0.187 -0.565 -10.178 1.00 0.00 H new ATOM 0 HA VAL A 55 1.626 1.810 -10.435 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.000 2.721 -8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.058 2.530 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.575 2.886 -11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.238 1.235 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.036 1.399 -8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.245 -0.049 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.542 0.780 -7.379 1.00 0.00 H new ATOM 874 N ILE A 56 2.401 0.450 -7.593 1.00 0.00 N ATOM 875 CA ILE A 56 3.441 0.473 -6.521 1.00 0.00 C ATOM 876 C ILE A 56 4.365 -0.801 -6.614 1.00 0.00 C ATOM 877 O ILE A 56 3.939 -1.851 -7.103 1.00 0.00 O ATOM 878 CB ILE A 56 2.845 0.585 -5.063 1.00 0.00 C ATOM 879 CG1 ILE A 56 1.767 -0.469 -4.737 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.305 1.999 -4.779 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.660 -0.837 -3.262 1.00 0.00 C ATOM 0 H ILE A 56 1.867 -0.418 -7.620 1.00 0.00 H new ATOM 0 HA ILE A 56 4.026 1.376 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 56 3.687 0.380 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.800 -0.096 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.978 -1.373 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.903 2.038 -3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.113 2.724 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.516 2.237 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.877 -1.584 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.611 -1.244 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.415 0.053 -2.682 1.00 0.00 H new ATOM 893 N GLU A 57 5.598 -0.722 -6.095 1.00 0.00 N ATOM 894 CA GLU A 57 6.507 -1.902 -6.021 1.00 0.00 C ATOM 895 C GLU A 57 6.760 -2.364 -4.544 1.00 0.00 C ATOM 896 O GLU A 57 6.836 -1.552 -3.617 1.00 0.00 O ATOM 897 CB GLU A 57 7.852 -1.616 -6.735 1.00 0.00 C ATOM 898 CG GLU A 57 7.783 -1.186 -8.212 1.00 0.00 C ATOM 899 CD GLU A 57 7.022 -2.101 -9.152 1.00 0.00 C ATOM 900 OE1 GLU A 57 7.409 -3.216 -9.485 1.00 0.00 O ATOM 901 OE2 GLU A 57 5.852 -1.547 -9.570 1.00 0.00 O ATOM 0 H GLU A 57 5.999 0.137 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 57 6.004 -2.719 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.371 -0.835 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.466 -2.514 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.328 -0.197 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.802 -1.086 -8.585 1.00 0.00 H new ATOM 909 N ILE A 58 6.908 -3.681 -4.346 1.00 0.00 N ATOM 910 CA ILE A 58 7.200 -4.281 -3.001 1.00 0.00 C ATOM 911 C ILE A 58 8.694 -4.051 -2.570 1.00 0.00 C ATOM 912 O ILE A 58 9.601 -3.914 -3.393 1.00 0.00 O ATOM 913 CB ILE A 58 6.741 -5.782 -3.009 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.203 -5.964 -3.212 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.157 -6.625 -1.780 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.288 -5.310 -2.176 1.00 0.00 C ATOM 0 H ILE A 58 6.833 -4.370 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 58 6.626 -3.773 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 58 7.287 -6.162 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.941 -5.569 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.987 -7.032 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.786 -7.643 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.244 -6.642 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.735 -6.185 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.247 -5.511 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.505 -5.719 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.458 -4.233 -2.168 1.00 0.00 H new ATOM 928 N VAL A 59 8.909 -3.982 -1.250 1.00 0.00 N ATOM 929 CA VAL A 59 10.177 -3.504 -0.644 1.00 0.00 C ATOM 930 C VAL A 59 11.478 -4.301 -1.011 1.00 0.00 C ATOM 931 O VAL A 59 11.501 -5.536 -0.988 1.00 0.00 O ATOM 932 CB VAL A 59 10.056 -3.377 0.921 1.00 0.00 C ATOM 933 CG1 VAL A 59 8.881 -2.502 1.398 1.00 0.00 C ATOM 934 CG2 VAL A 59 9.995 -4.697 1.711 1.00 0.00 C ATOM 0 H VAL A 59 8.209 -4.256 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 59 10.310 -2.525 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 59 11.006 -2.892 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.871 -2.468 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.996 -1.492 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.943 -2.926 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.913 -4.480 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.127 -5.273 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.902 -5.273 1.527 1.00 0.00 H new ATOM 944 N SER A 60 12.584 -3.579 -1.236 1.00 0.00 N ATOM 945 CA SER A 60 13.936 -4.197 -1.326 1.00 0.00 C ATOM 946 C SER A 60 14.576 -4.463 0.080 1.00 0.00 C ATOM 947 O SER A 60 15.517 -3.782 0.501 1.00 0.00 O ATOM 948 CB SER A 60 14.787 -3.265 -2.223 1.00 0.00 C ATOM 949 OG SER A 60 16.124 -3.749 -2.355 1.00 0.00 O ATOM 0 H SER A 60 12.581 -2.567 -1.360 1.00 0.00 H new ATOM 0 HA SER A 60 13.877 -5.191 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.328 -3.187 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.802 -2.262 -1.797 1.00 0.00 H new ATOM 0 HG SER A 60 16.637 -3.141 -2.928 1.00 0.00 H new ATOM 955 N GLY A 61 14.052 -5.469 0.796 1.00 0.00 N ATOM 956 CA GLY A 61 14.501 -5.793 2.173 1.00 0.00 C ATOM 957 C GLY A 61 13.806 -5.027 3.314 1.00 0.00 C ATOM 958 O GLY A 61 13.022 -5.610 4.064 1.00 0.00 O ATOM 0 H GLY A 61 13.313 -6.080 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.355 -6.860 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.573 -5.604 2.237 1.00 0.00 H new ATOM 962 N ALA A 62 14.139 -3.743 3.469 1.00 0.00 N ATOM 963 CA ALA A 62 13.651 -2.913 4.596 1.00 0.00 C ATOM 964 C ALA A 62 12.178 -2.406 4.462 1.00 0.00 C ATOM 965 O ALA A 62 11.758 -1.945 3.399 1.00 0.00 O ATOM 966 CB ALA A 62 14.632 -1.731 4.698 1.00 0.00 C ATOM 0 H ALA A 62 14.751 -3.242 2.825 1.00 0.00 H new ATOM 0 HA ALA A 62 13.623 -3.527 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.328 -1.076 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.637 -2.108 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.626 -1.172 3.762 1.00 0.00 H new ATOM 972 N SER A 63 11.425 -2.446 5.570 1.00 0.00 N ATOM 973 CA SER A 63 9.969 -2.122 5.584 1.00 0.00 C ATOM 974 C SER A 63 9.480 -0.737 5.040 1.00 0.00 C ATOM 975 O SER A 63 8.400 -0.692 4.448 1.00 0.00 O ATOM 976 CB SER A 63 9.457 -2.325 7.037 1.00 0.00 C ATOM 977 OG SER A 63 9.585 -3.681 7.471 1.00 0.00 O ATOM 0 H SER A 63 11.795 -2.702 6.485 1.00 0.00 H new ATOM 0 HA SER A 63 9.544 -2.804 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.015 -1.675 7.711 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.411 -2.023 7.097 1.00 0.00 H new ATOM 0 HG SER A 63 9.253 -3.763 8.389 1.00 0.00 H new ATOM 983 N ARG A 64 10.242 0.355 5.209 1.00 0.00 N ATOM 984 CA ARG A 64 9.915 1.659 4.565 1.00 0.00 C ATOM 985 C ARG A 64 10.564 1.801 3.130 1.00 0.00 C ATOM 986 O ARG A 64 11.449 2.628 2.897 1.00 0.00 O ATOM 987 CB ARG A 64 10.345 2.829 5.488 1.00 0.00 C ATOM 988 CG ARG A 64 9.597 2.925 6.830 1.00 0.00 C ATOM 989 CD ARG A 64 9.905 4.259 7.529 1.00 0.00 C ATOM 990 NE ARG A 64 9.198 4.366 8.826 1.00 0.00 N ATOM 991 CZ ARG A 64 7.941 4.741 8.995 1.00 0.00 C ATOM 992 NH1 ARG A 64 7.120 5.027 8.029 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.500 4.800 10.204 1.00 0.00 N ATOM 0 H ARG A 64 11.086 0.372 5.781 1.00 0.00 H new ATOM 0 HA ARG A 64 8.835 1.695 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.411 2.734 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.206 3.765 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.524 2.836 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.888 2.095 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.979 4.347 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.611 5.086 6.883 1.00 0.00 H new ATOM 0 HE ARG A 64 9.728 4.129 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.433 4.969 7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.163 5.309 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.114 4.562 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.537 5.084 10.382 1.00 0.00 H new ATOM 1006 N GLY A 65 10.070 1.010 2.168 1.00 0.00 N ATOM 1007 CA GLY A 65 10.597 1.020 0.775 1.00 0.00 C ATOM 1008 C GLY A 65 9.591 0.731 -0.356 1.00 0.00 C ATOM 1009 O GLY A 65 9.925 -0.006 -1.283 1.00 0.00 O ATOM 0 H GLY A 65 9.306 0.351 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.044 1.996 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.399 0.285 0.711 1.00 0.00 H new ATOM 1013 N ILE A 66 8.391 1.311 -0.292 1.00 0.00 N ATOM 1014 CA ILE A 66 7.300 1.052 -1.277 1.00 0.00 C ATOM 1015 C ILE A 66 7.267 2.276 -2.257 1.00 0.00 C ATOM 1016 O ILE A 66 6.792 3.358 -1.895 1.00 0.00 O ATOM 1017 CB ILE A 66 5.914 0.841 -0.552 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.926 -0.277 0.531 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.807 0.496 -1.585 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.815 -0.129 1.575 1.00 0.00 C ATOM 0 H ILE A 66 8.133 1.975 0.438 1.00 0.00 H new ATOM 0 HA ILE A 66 7.489 0.133 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 66 5.711 1.787 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.827 -1.246 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.892 -0.272 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.858 0.354 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.711 1.312 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.074 -0.420 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.884 -0.942 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.925 0.825 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.844 -0.165 1.081 1.00 0.00 H new ATOM 1032 N ARG A 67 7.795 2.108 -3.476 1.00 0.00 N ATOM 1033 CA ARG A 67 7.902 3.218 -4.460 1.00 0.00 C ATOM 1034 C ARG A 67 6.641 3.366 -5.365 1.00 0.00 C ATOM 1035 O ARG A 67 6.178 2.404 -5.983 1.00 0.00 O ATOM 1036 CB ARG A 67 9.224 3.119 -5.265 1.00 0.00 C ATOM 1037 CG ARG A 67 9.445 1.866 -6.124 1.00 0.00 C ATOM 1038 CD ARG A 67 10.714 1.977 -6.981 1.00 0.00 C ATOM 1039 NE ARG A 67 10.879 0.702 -7.716 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.790 0.458 -8.641 1.00 0.00 C ATOM 1041 NH1 ARG A 67 12.681 1.318 -9.042 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.791 -0.713 -9.178 1.00 0.00 N ATOM 0 H ARG A 67 8.158 1.217 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 67 7.939 4.147 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.284 3.989 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.052 3.193 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.518 0.991 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.582 1.713 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.632 2.811 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.583 2.171 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 67 10.233 -0.054 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.706 2.253 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.354 1.057 -9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.106 -1.409 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.477 -0.944 -9.896 1.00 0.00 H new ATOM 1055 N LEU A 68 6.111 4.589 -5.451 1.00 0.00 N ATOM 1056 CA LEU A 68 4.879 4.905 -6.238 1.00 0.00 C ATOM 1057 C LEU A 68 5.202 5.325 -7.708 1.00 0.00 C ATOM 1058 O LEU A 68 5.036 6.480 -8.103 1.00 0.00 O ATOM 1059 CB LEU A 68 4.186 5.998 -5.378 1.00 0.00 C ATOM 1060 CG LEU A 68 2.795 6.486 -5.821 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.701 5.433 -5.669 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.424 7.726 -4.984 1.00 0.00 C ATOM 0 H LEU A 68 6.512 5.401 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 68 4.222 4.049 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.099 5.618 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.848 6.863 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 68 2.857 6.718 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.749 5.847 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.948 4.561 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.624 5.137 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.440 8.087 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.406 7.460 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.163 8.510 -5.148 1.00 0.00 H new ATOM 1074 N LEU A 69 5.661 4.370 -8.532 1.00 0.00 N ATOM 1075 CA LEU A 69 6.253 4.687 -9.865 1.00 0.00 C ATOM 1076 C LEU A 69 5.332 5.099 -11.054 1.00 0.00 C ATOM 1077 O LEU A 69 5.805 5.778 -11.968 1.00 0.00 O ATOM 1078 CB LEU A 69 7.342 3.660 -10.238 1.00 0.00 C ATOM 1079 CG LEU A 69 7.017 2.161 -10.337 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.018 1.788 -11.429 1.00 0.00 C ATOM 1081 CD2 LEU A 69 8.343 1.431 -10.624 1.00 0.00 C ATOM 0 H LEU A 69 5.639 3.374 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 69 6.701 5.665 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.749 3.963 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.144 3.765 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 69 6.548 1.872 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.854 0.710 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.073 2.301 -11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.413 2.086 -12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.159 0.360 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.764 1.796 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.045 1.620 -9.812 1.00 0.00 H new ATOM 1093 N GLN A 70 4.053 4.715 -11.038 1.00 0.00 N ATOM 1094 CA GLN A 70 3.075 5.105 -12.095 1.00 0.00 C ATOM 1095 C GLN A 70 2.183 6.316 -11.688 1.00 0.00 C ATOM 1096 O GLN A 70 2.210 7.359 -12.345 1.00 0.00 O ATOM 1097 CB GLN A 70 2.304 3.841 -12.541 1.00 0.00 C ATOM 1098 CG GLN A 70 1.649 3.888 -13.938 1.00 0.00 C ATOM 1099 CD GLN A 70 0.434 4.784 -14.091 1.00 0.00 C ATOM 1100 OE1 GLN A 70 0.504 5.809 -14.900 1.00 0.00 O flip ATOM 1101 NE2 GLN A 70 -0.604 4.586 -13.471 1.00 0.00 N flip ATOM 0 H GLN A 70 3.654 4.129 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 70 3.606 5.490 -12.965 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.992 2.996 -12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.525 3.640 -11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.402 4.211 -14.656 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.360 2.873 -14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.675 3.791 -12.836 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.397 5.216 -13.590 1.00 0.00 H new ATOM 1110 N GLU A 71 1.406 6.169 -10.613 1.00 0.00 N ATOM 1111 CA GLU A 71 0.522 7.247 -10.093 1.00 0.00 C ATOM 1112 C GLU A 71 1.240 8.151 -9.025 1.00 0.00 C ATOM 1113 O GLU A 71 0.828 8.234 -7.864 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.754 6.574 -9.513 1.00 0.00 C ATOM 1115 CG GLU A 71 -1.695 5.884 -10.521 1.00 0.00 C ATOM 1116 CD GLU A 71 -2.442 6.820 -11.455 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -3.228 7.675 -11.059 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -2.153 6.593 -12.769 1.00 0.00 O ATOM 0 H GLU A 71 1.362 5.306 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 71 0.256 7.922 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.443 5.833 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.326 7.333 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.110 5.188 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.424 5.292 -9.967 1.00 0.00 H new ATOM 1126 N GLU A 72 2.302 8.868 -9.425 1.00 0.00 N ATOM 1127 CA GLU A 72 3.251 9.507 -8.462 1.00 0.00 C ATOM 1128 C GLU A 72 2.744 10.830 -7.823 1.00 0.00 C ATOM 1129 O GLU A 72 3.428 11.848 -7.719 1.00 0.00 O ATOM 1130 CB GLU A 72 4.610 9.582 -9.201 1.00 0.00 C ATOM 1131 CG GLU A 72 5.842 10.106 -8.434 1.00 0.00 C ATOM 1132 CD GLU A 72 6.096 9.545 -7.047 1.00 0.00 C ATOM 1133 OE1 GLU A 72 6.835 8.593 -6.815 1.00 0.00 O ATOM 1134 OE2 GLU A 72 5.406 10.234 -6.092 1.00 0.00 O ATOM 0 H GLU A 72 2.536 9.027 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 72 3.357 8.906 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.846 8.581 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.474 10.213 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.725 9.910 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.748 11.188 -8.347 1.00 0.00 H new TER 1142 GLU A 72