USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 311 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 Single : A 3 SER OG : rot 180:sc= -0.146 USER MOD Single : A 13 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-3.4!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 12:sc= 0.842 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0739 (180deg=-0.508) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-1.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 2 9.160 11.281 5.235 1.00 0.00 N ATOM 2 CA LEU A 2 9.199 10.486 3.975 1.00 0.00 C ATOM 3 C LEU A 2 7.772 10.101 3.571 1.00 0.00 C ATOM 4 O LEU A 2 6.806 10.594 4.120 1.00 0.00 O ATOM 5 CB LEU A 2 10.043 9.218 4.191 1.00 0.00 C ATOM 6 CG LEU A 2 11.347 9.563 4.927 1.00 0.00 C ATOM 7 CD1 LEU A 2 12.194 8.292 5.063 1.00 0.00 C ATOM 8 CD2 LEU A 2 12.138 10.631 4.146 1.00 0.00 C ATOM 0 HA LEU A 2 9.649 11.082 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.474 8.488 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.271 8.757 3.230 1.00 0.00 H new ATOM 0 HG LEU A 2 11.108 9.960 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 2 13.122 8.527 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.639 7.544 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.424 7.900 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.059 10.865 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.381 10.251 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.535 11.534 4.051 1.00 0.00 H new ATOM 20 N SER A 3 7.633 9.218 2.619 1.00 0.00 N ATOM 21 CA SER A 3 6.272 8.794 2.180 1.00 0.00 C ATOM 22 C SER A 3 6.372 7.715 1.074 1.00 0.00 C ATOM 23 O SER A 3 5.756 6.678 1.209 1.00 0.00 O ATOM 24 CB SER A 3 5.451 10.023 1.699 1.00 0.00 C ATOM 25 OG SER A 3 4.935 9.787 0.392 1.00 0.00 O ATOM 0 H SER A 3 8.405 8.771 2.125 1.00 0.00 H new ATOM 0 HA SER A 3 5.749 8.354 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.632 10.217 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.082 10.912 1.694 1.00 0.00 H new ATOM 0 HG SER A 3 4.418 10.566 0.099 1.00 0.00 H new ATOM 31 N PRO A 4 7.126 7.956 0.006 1.00 0.00 N ATOM 32 CA PRO A 4 7.237 6.946 -1.068 1.00 0.00 C ATOM 33 C PRO A 4 7.902 5.671 -0.515 1.00 0.00 C ATOM 34 O PRO A 4 8.118 4.714 -1.232 1.00 0.00 O ATOM 35 CB PRO A 4 8.101 7.616 -2.175 1.00 0.00 C ATOM 36 CG PRO A 4 8.499 9.037 -1.658 1.00 0.00 C ATOM 37 CD PRO A 4 7.904 9.200 -0.231 1.00 0.00 C ATOM 0 HA PRO A 4 6.268 6.642 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.990 7.020 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.541 7.689 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.583 9.147 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.114 9.809 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.691 9.321 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.267 10.082 -0.167 1.00 0.00 H new ATOM 45 N ALA A 5 8.225 5.653 0.751 1.00 0.00 N ATOM 46 CA ALA A 5 8.872 4.446 1.341 1.00 0.00 C ATOM 47 C ALA A 5 7.991 3.218 1.099 1.00 0.00 C ATOM 48 O ALA A 5 8.449 2.092 1.147 1.00 0.00 O ATOM 49 CB ALA A 5 9.058 4.652 2.846 1.00 0.00 C ATOM 0 H ALA A 5 8.068 6.423 1.402 1.00 0.00 H new ATOM 0 HA ALA A 5 9.843 4.291 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.531 3.770 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.689 5.524 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.086 4.809 3.315 1.00 0.00 H new ATOM 55 N ILE A 6 6.727 3.422 0.836 1.00 0.00 N ATOM 56 CA ILE A 6 5.824 2.263 0.588 1.00 0.00 C ATOM 57 C ILE A 6 6.199 1.624 -0.744 1.00 0.00 C ATOM 58 O ILE A 6 6.083 0.427 -0.922 1.00 0.00 O ATOM 59 CB ILE A 6 4.362 2.728 0.568 1.00 0.00 C ATOM 60 CG1 ILE A 6 3.445 1.503 0.455 1.00 0.00 C ATOM 61 CG2 ILE A 6 4.117 3.675 -0.618 1.00 0.00 C ATOM 62 CD1 ILE A 6 1.983 1.944 0.549 1.00 0.00 C ATOM 0 H ILE A 6 6.283 4.339 0.783 1.00 0.00 H new ATOM 0 HA ILE A 6 5.936 1.530 1.387 1.00 0.00 H new ATOM 0 HB ILE A 6 4.145 3.266 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.621 0.991 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.672 0.792 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.075 3.996 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.765 4.547 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.337 3.155 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.334 1.072 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.812 2.436 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.760 2.639 -0.261 1.00 0.00 H new ATOM 74 N ARG A 7 6.677 2.404 -1.681 1.00 0.00 N ATOM 75 CA ARG A 7 7.090 1.823 -2.992 1.00 0.00 C ATOM 76 C ARG A 7 8.078 0.694 -2.707 1.00 0.00 C ATOM 77 O ARG A 7 8.118 -0.313 -3.386 1.00 0.00 O ATOM 78 CB ARG A 7 7.765 2.897 -3.848 1.00 0.00 C ATOM 79 CG ARG A 7 6.794 4.060 -4.067 1.00 0.00 C ATOM 80 CD ARG A 7 7.488 5.160 -4.872 1.00 0.00 C ATOM 81 NE ARG A 7 7.962 4.597 -6.173 1.00 0.00 N ATOM 82 CZ ARG A 7 8.333 5.392 -7.144 1.00 0.00 C ATOM 83 NH1 ARG A 7 8.294 6.688 -6.983 1.00 0.00 N ATOM 84 NH2 ARG A 7 8.745 4.889 -8.275 1.00 0.00 N ATOM 0 H ARG A 7 6.798 3.413 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 7 6.222 1.447 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.670 3.253 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.067 2.476 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.907 3.712 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.459 4.453 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.799 5.986 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.330 5.563 -4.309 1.00 0.00 H new ATOM 0 HE ARG A 7 7.997 3.586 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.974 7.083 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.584 7.305 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.778 3.877 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.034 5.507 -9.033 1.00 0.00 H new ATOM 98 N ARG A 8 8.854 0.860 -1.670 1.00 0.00 N ATOM 99 CA ARG A 8 9.827 -0.199 -1.282 1.00 0.00 C ATOM 100 C ARG A 8 9.050 -1.407 -0.746 1.00 0.00 C ATOM 101 O ARG A 8 9.062 -2.463 -1.332 1.00 0.00 O ATOM 102 CB ARG A 8 10.769 0.336 -0.195 1.00 0.00 C ATOM 103 CG ARG A 8 11.375 1.680 -0.631 1.00 0.00 C ATOM 104 CD ARG A 8 12.205 1.510 -1.916 1.00 0.00 C ATOM 105 NE ARG A 8 13.145 2.665 -2.047 1.00 0.00 N ATOM 106 CZ ARG A 8 14.140 2.618 -2.895 1.00 0.00 C ATOM 107 NH1 ARG A 8 14.319 1.560 -3.639 1.00 0.00 N ATOM 108 NH2 ARG A 8 14.955 3.631 -2.999 1.00 0.00 N ATOM 0 H ARG A 8 8.855 1.687 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 8 10.420 -0.494 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.223 0.461 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.564 -0.385 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.580 2.406 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.005 2.076 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.762 0.574 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.548 1.459 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 8 13.010 3.496 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.682 0.767 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.096 1.526 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.816 4.459 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.731 3.595 -3.660 1.00 0.00 H new ATOM 122 N LEU A 9 8.370 -1.255 0.366 1.00 0.00 N ATOM 123 CA LEU A 9 7.583 -2.392 0.946 1.00 0.00 C ATOM 124 C LEU A 9 6.704 -3.039 -0.140 1.00 0.00 C ATOM 125 O LEU A 9 6.700 -4.243 -0.308 1.00 0.00 O ATOM 126 CB LEU A 9 6.698 -1.837 2.107 1.00 0.00 C ATOM 127 CG LEU A 9 6.588 -2.859 3.275 1.00 0.00 C ATOM 128 CD1 LEU A 9 7.797 -2.751 4.217 1.00 0.00 C ATOM 129 CD2 LEU A 9 5.293 -2.624 4.078 1.00 0.00 C ATOM 0 H LEU A 9 8.326 -0.387 0.900 1.00 0.00 H new ATOM 0 HA LEU A 9 8.258 -3.156 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.123 -0.904 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.702 -1.606 1.729 1.00 0.00 H new ATOM 0 HG LEU A 9 6.568 -3.858 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.695 -3.476 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.712 -2.954 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.843 -1.746 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.233 -3.348 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.298 -1.615 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.431 -2.743 3.421 1.00 0.00 H new ATOM 141 N LEU A 10 5.957 -2.255 -0.870 1.00 0.00 N ATOM 142 CA LEU A 10 5.076 -2.830 -1.933 1.00 0.00 C ATOM 143 C LEU A 10 5.914 -3.739 -2.851 1.00 0.00 C ATOM 144 O LEU A 10 5.581 -4.885 -3.081 1.00 0.00 O ATOM 145 CB LEU A 10 4.441 -1.666 -2.734 1.00 0.00 C ATOM 146 CG LEU A 10 3.092 -2.071 -3.388 1.00 0.00 C ATOM 147 CD1 LEU A 10 3.251 -3.374 -4.186 1.00 0.00 C ATOM 148 CD2 LEU A 10 1.977 -2.238 -2.327 1.00 0.00 C ATOM 0 H LEU A 10 5.917 -1.240 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 10 4.281 -3.430 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.281 -0.816 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.135 -1.339 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 10 2.801 -1.268 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.296 -3.643 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.996 -3.232 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.574 -4.172 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.046 -2.522 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.263 -3.014 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.835 -1.296 -1.797 1.00 0.00 H new ATOM 160 N ALA A 11 7.003 -3.235 -3.368 1.00 0.00 N ATOM 161 CA ALA A 11 7.862 -4.065 -4.266 1.00 0.00 C ATOM 162 C ALA A 11 8.669 -5.067 -3.437 1.00 0.00 C ATOM 163 O ALA A 11 9.112 -6.083 -3.938 1.00 0.00 O ATOM 164 CB ALA A 11 8.821 -3.154 -5.035 1.00 0.00 C ATOM 0 H ALA A 11 7.336 -2.284 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 11 7.228 -4.608 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.449 -3.757 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.248 -2.445 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.450 -2.610 -4.330 1.00 0.00 H new ATOM 170 N GLU A 12 8.865 -4.799 -2.174 1.00 0.00 N ATOM 171 CA GLU A 12 9.642 -5.746 -1.328 1.00 0.00 C ATOM 172 C GLU A 12 8.902 -7.093 -1.306 1.00 0.00 C ATOM 173 O GLU A 12 9.359 -8.076 -1.854 1.00 0.00 O ATOM 174 CB GLU A 12 9.749 -5.202 0.104 1.00 0.00 C ATOM 175 CG GLU A 12 10.797 -6.002 0.886 1.00 0.00 C ATOM 176 CD GLU A 12 10.873 -5.477 2.320 1.00 0.00 C ATOM 177 OE1 GLU A 12 10.890 -4.269 2.488 1.00 0.00 O ATOM 178 OE2 GLU A 12 10.916 -6.292 3.227 1.00 0.00 O ATOM 0 H GLU A 12 8.521 -3.967 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 12 10.646 -5.869 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.024 -4.148 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.781 -5.269 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.535 -7.060 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.771 -5.915 0.404 1.00 0.00 H new ATOM 185 N HIS A 13 7.753 -7.138 -0.664 1.00 0.00 N ATOM 186 CA HIS A 13 6.977 -8.404 -0.590 1.00 0.00 C ATOM 187 C HIS A 13 6.624 -8.923 -2.000 1.00 0.00 C ATOM 188 O HIS A 13 6.563 -10.113 -2.215 1.00 0.00 O ATOM 189 CB HIS A 13 5.712 -8.122 0.204 1.00 0.00 C ATOM 190 CG HIS A 13 6.098 -7.496 1.517 1.00 0.00 C ATOM 191 ND1 HIS A 13 6.844 -8.170 2.473 1.00 0.00 N ATOM 192 CD2 HIS A 13 5.866 -6.249 2.039 1.00 0.00 C ATOM 193 CE1 HIS A 13 7.030 -7.326 3.507 1.00 0.00 C ATOM 194 NE2 HIS A 13 6.453 -6.153 3.294 1.00 0.00 N ATOM 0 H HIS A 13 7.325 -6.343 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 13 7.572 -9.177 -0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.056 -7.455 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.158 -9.045 0.374 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.188 -9.128 2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.312 -5.462 1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.582 -7.576 4.401 1.00 0.00 H new ATOM 202 N ASN A 14 6.409 -8.038 -2.954 1.00 0.00 N ATOM 203 CA ASN A 14 6.084 -8.450 -4.365 1.00 0.00 C ATOM 204 C ASN A 14 4.599 -8.841 -4.528 1.00 0.00 C ATOM 205 O ASN A 14 4.273 -9.994 -4.735 1.00 0.00 O ATOM 206 CB ASN A 14 6.999 -9.622 -4.815 1.00 0.00 C ATOM 207 CG ASN A 14 7.135 -9.635 -6.344 1.00 0.00 C ATOM 208 OD1 ASN A 14 6.605 -10.505 -7.006 1.00 0.00 O ATOM 209 ND2 ASN A 14 7.831 -8.701 -6.934 1.00 0.00 N ATOM 0 H ASN A 14 6.446 -7.029 -2.810 1.00 0.00 H new ATOM 0 HA ASN A 14 6.269 -7.586 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.983 -9.521 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.583 -10.569 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.929 -8.702 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.277 -7.970 -6.380 1.00 0.00 H new ATOM 216 N LEU A 15 3.699 -7.877 -4.483 1.00 0.00 N ATOM 217 CA LEU A 15 2.231 -8.158 -4.689 1.00 0.00 C ATOM 218 C LEU A 15 1.672 -7.086 -5.627 1.00 0.00 C ATOM 219 O LEU A 15 1.832 -5.903 -5.396 1.00 0.00 O ATOM 220 CB LEU A 15 1.465 -8.099 -3.351 1.00 0.00 C ATOM 221 CG LEU A 15 1.779 -9.345 -2.473 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.496 -9.027 -0.998 1.00 0.00 C ATOM 223 CD2 LEU A 15 0.901 -10.544 -2.888 1.00 0.00 C ATOM 0 H LEU A 15 3.921 -6.897 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 15 2.111 -9.156 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.737 -7.192 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.393 -8.046 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 15 2.830 -9.599 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.718 -9.903 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.123 -8.194 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.447 -8.758 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.138 -11.403 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.151 -10.285 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.094 -10.793 -3.932 1.00 0.00 H new ATOM 235 N ASP A 16 1.017 -7.485 -6.682 1.00 0.00 N ATOM 236 CA ASP A 16 0.449 -6.483 -7.627 1.00 0.00 C ATOM 237 C ASP A 16 -0.507 -5.558 -6.870 1.00 0.00 C ATOM 238 O ASP A 16 -1.464 -6.002 -6.266 1.00 0.00 O ATOM 239 CB ASP A 16 -0.311 -7.209 -8.741 1.00 0.00 C ATOM 240 CG ASP A 16 -1.310 -8.188 -8.122 1.00 0.00 C ATOM 241 OD1 ASP A 16 -2.366 -7.742 -7.703 1.00 0.00 O ATOM 242 OD2 ASP A 16 -1.003 -9.368 -8.077 1.00 0.00 O ATOM 0 H ASP A 16 0.851 -8.460 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 16 1.254 -5.893 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.834 -6.488 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.388 -7.744 -9.384 1.00 0.00 H new ATOM 247 N ALA A 17 -0.247 -4.273 -6.887 1.00 0.00 N ATOM 248 CA ALA A 17 -1.130 -3.302 -6.162 1.00 0.00 C ATOM 249 C ALA A 17 -2.614 -3.607 -6.428 1.00 0.00 C ATOM 250 O ALA A 17 -3.482 -3.173 -5.696 1.00 0.00 O ATOM 251 CB ALA A 17 -0.808 -1.882 -6.634 1.00 0.00 C ATOM 0 H ALA A 17 0.544 -3.851 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.946 -3.393 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.447 -1.171 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.237 -1.656 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.984 -1.806 -7.707 1.00 0.00 H new ATOM 257 N SER A 18 -2.913 -4.353 -7.460 1.00 0.00 N ATOM 258 CA SER A 18 -4.338 -4.688 -7.757 1.00 0.00 C ATOM 259 C SER A 18 -4.831 -5.731 -6.753 1.00 0.00 C ATOM 260 O SER A 18 -6.017 -5.959 -6.611 1.00 0.00 O ATOM 261 CB SER A 18 -4.443 -5.254 -9.173 1.00 0.00 C ATOM 262 OG SER A 18 -3.554 -6.357 -9.304 1.00 0.00 O ATOM 0 H SER A 18 -2.232 -4.745 -8.110 1.00 0.00 H new ATOM 0 HA SER A 18 -4.949 -3.789 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.466 -5.570 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.196 -4.484 -9.904 1.00 0.00 H new ATOM 0 HG SER A 18 -3.223 -6.617 -8.419 1.00 0.00 H new ATOM 268 N ALA A 19 -3.930 -6.371 -6.051 1.00 0.00 N ATOM 269 CA ALA A 19 -4.344 -7.403 -5.053 1.00 0.00 C ATOM 270 C ALA A 19 -4.878 -6.715 -3.797 1.00 0.00 C ATOM 271 O ALA A 19 -4.931 -7.298 -2.731 1.00 0.00 O ATOM 272 CB ALA A 19 -3.136 -8.270 -4.684 1.00 0.00 C ATOM 0 H ALA A 19 -2.924 -6.223 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.125 -8.030 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.437 -9.023 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.755 -8.762 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.355 -7.642 -4.255 1.00 0.00 H new ATOM 278 N ILE A 20 -5.280 -5.476 -3.919 1.00 0.00 N ATOM 279 CA ILE A 20 -5.827 -4.716 -2.747 1.00 0.00 C ATOM 280 C ILE A 20 -6.965 -3.811 -3.247 1.00 0.00 C ATOM 281 O ILE A 20 -7.797 -4.228 -4.028 1.00 0.00 O ATOM 282 CB ILE A 20 -4.707 -3.868 -2.088 1.00 0.00 C ATOM 283 CG1 ILE A 20 -3.381 -4.667 -2.045 1.00 0.00 C ATOM 284 CG2 ILE A 20 -5.107 -3.492 -0.647 1.00 0.00 C ATOM 285 CD1 ILE A 20 -2.280 -3.833 -1.392 1.00 0.00 C ATOM 0 H ILE A 20 -5.253 -4.949 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.208 -5.408 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.569 -2.964 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.524 -5.593 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.084 -4.946 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.315 -2.897 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.030 -2.913 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.259 -4.400 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.354 -4.407 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.126 -2.920 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.573 -3.576 -0.374 1.00 0.00 H new ATOM 297 N LYS A 21 -7.007 -2.584 -2.808 1.00 0.00 N ATOM 298 CA LYS A 21 -8.087 -1.660 -3.252 1.00 0.00 C ATOM 299 C LYS A 21 -7.769 -0.242 -2.773 1.00 0.00 C ATOM 300 O LYS A 21 -7.406 -0.026 -1.634 1.00 0.00 O ATOM 301 CB LYS A 21 -9.426 -2.108 -2.654 1.00 0.00 C ATOM 302 CG LYS A 21 -10.557 -1.246 -3.222 1.00 0.00 C ATOM 303 CD LYS A 21 -11.905 -1.792 -2.747 1.00 0.00 C ATOM 304 CE LYS A 21 -13.035 -0.940 -3.327 1.00 0.00 C ATOM 305 NZ LYS A 21 -13.033 -1.058 -4.813 1.00 0.00 N ATOM 0 H LYS A 21 -6.335 -2.179 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.152 -1.675 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.605 -3.158 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.398 -2.020 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.438 -0.212 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.516 -1.246 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.020 -2.829 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.950 -1.782 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.994 -1.268 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.907 0.102 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.963 -0.778 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.300 -0.436 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.835 -2.043 -5.083 1.00 0.00 H new ATOM 319 N GLY A 22 -7.911 0.726 -3.635 1.00 0.00 N ATOM 320 CA GLY A 22 -7.629 2.138 -3.243 1.00 0.00 C ATOM 321 C GLY A 22 -8.442 2.507 -2.038 1.00 0.00 C ATOM 322 O GLY A 22 -7.952 2.592 -0.931 1.00 0.00 O ATOM 0 H GLY A 22 -8.212 0.600 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.568 2.259 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.864 2.808 -4.070 1.00 0.00 H new ATOM 326 N THR A 23 -9.683 2.743 -2.285 1.00 0.00 N ATOM 327 CA THR A 23 -10.631 3.127 -1.230 1.00 0.00 C ATOM 328 C THR A 23 -10.225 4.455 -0.564 1.00 0.00 C ATOM 329 O THR A 23 -11.056 5.140 -0.001 1.00 0.00 O ATOM 330 CB THR A 23 -10.740 1.995 -0.195 1.00 0.00 C ATOM 331 OG1 THR A 23 -11.297 0.848 -0.822 1.00 0.00 O ATOM 332 CG2 THR A 23 -11.641 2.418 0.973 1.00 0.00 C ATOM 0 H THR A 23 -10.096 2.683 -3.216 1.00 0.00 H new ATOM 0 HA THR A 23 -11.610 3.285 -1.683 1.00 0.00 H new ATOM 0 HB THR A 23 -9.746 1.771 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.368 0.121 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.706 1.604 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.220 3.300 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.638 2.651 0.598 1.00 0.00 H new ATOM 340 N GLY A 24 -8.974 4.833 -0.620 1.00 0.00 N ATOM 341 CA GLY A 24 -8.555 6.115 0.009 1.00 0.00 C ATOM 342 C GLY A 24 -9.370 7.274 -0.579 1.00 0.00 C ATOM 343 O GLY A 24 -10.511 7.484 -0.220 1.00 0.00 O ATOM 0 H GLY A 24 -8.227 4.308 -1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.702 6.066 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.492 6.283 -0.161 1.00 0.00 H new ATOM 347 N VAL A 25 -8.792 8.037 -1.477 1.00 0.00 N ATOM 348 CA VAL A 25 -9.546 9.198 -2.085 1.00 0.00 C ATOM 349 C VAL A 25 -10.289 8.737 -3.358 1.00 0.00 C ATOM 350 O VAL A 25 -9.739 8.788 -4.441 1.00 0.00 O ATOM 351 CB VAL A 25 -8.545 10.309 -2.459 1.00 0.00 C ATOM 352 CG1 VAL A 25 -9.285 11.492 -3.107 1.00 0.00 C ATOM 353 CG2 VAL A 25 -7.821 10.794 -1.195 1.00 0.00 C ATOM 0 H VAL A 25 -7.839 7.913 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.271 9.574 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.820 9.909 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.568 12.271 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.795 11.152 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.017 11.892 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.113 11.580 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.550 11.186 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.285 9.961 -0.740 1.00 0.00 H new ATOM 363 N GLY A 26 -11.535 8.298 -3.260 1.00 0.00 N ATOM 364 CA GLY A 26 -12.269 7.862 -4.487 1.00 0.00 C ATOM 365 C GLY A 26 -11.450 6.833 -5.284 1.00 0.00 C ATOM 366 O GLY A 26 -11.852 6.422 -6.355 1.00 0.00 O ATOM 0 H GLY A 26 -12.062 8.227 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.229 7.429 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.481 8.728 -5.115 1.00 0.00 H new ATOM 370 N GLY A 27 -10.310 6.408 -4.778 1.00 0.00 N ATOM 371 CA GLY A 27 -9.467 5.401 -5.511 1.00 0.00 C ATOM 372 C GLY A 27 -7.988 5.781 -5.396 1.00 0.00 C ATOM 373 O GLY A 27 -7.357 6.148 -6.367 1.00 0.00 O ATOM 0 H GLY A 27 -9.926 6.717 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.630 4.406 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.761 5.361 -6.560 1.00 0.00 H new ATOM 377 N ARG A 28 -7.431 5.675 -4.215 1.00 0.00 N ATOM 378 CA ARG A 28 -5.981 6.003 -4.001 1.00 0.00 C ATOM 379 C ARG A 28 -5.395 4.930 -3.085 1.00 0.00 C ATOM 380 O ARG A 28 -6.051 4.456 -2.179 1.00 0.00 O ATOM 381 CB ARG A 28 -5.849 7.386 -3.338 1.00 0.00 C ATOM 382 CG ARG A 28 -4.367 7.854 -3.322 1.00 0.00 C ATOM 383 CD ARG A 28 -4.001 8.558 -4.640 1.00 0.00 C ATOM 384 NE ARG A 28 -4.885 9.748 -4.828 1.00 0.00 N ATOM 385 CZ ARG A 28 -4.589 10.661 -5.718 1.00 0.00 C ATOM 386 NH1 ARG A 28 -3.517 10.537 -6.455 1.00 0.00 N ATOM 387 NH2 ARG A 28 -5.367 11.697 -5.869 1.00 0.00 N ATOM 0 H ARG A 28 -7.925 5.371 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.449 6.027 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.458 8.112 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.232 7.343 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.205 8.533 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.712 6.996 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.956 8.867 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.116 7.870 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.725 9.850 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.908 9.727 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.289 11.250 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.204 11.794 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.138 12.410 -6.562 1.00 0.00 H new ATOM 401 N LEU A 29 -4.175 4.524 -3.318 1.00 0.00 N ATOM 402 CA LEU A 29 -3.572 3.456 -2.459 1.00 0.00 C ATOM 403 C LEU A 29 -3.040 4.074 -1.163 1.00 0.00 C ATOM 404 O LEU A 29 -2.096 4.839 -1.171 1.00 0.00 O ATOM 405 CB LEU A 29 -2.442 2.785 -3.248 1.00 0.00 C ATOM 406 CG LEU A 29 -1.709 1.726 -2.398 1.00 0.00 C ATOM 407 CD1 LEU A 29 -2.697 0.655 -1.889 1.00 0.00 C ATOM 408 CD2 LEU A 29 -0.631 1.069 -3.269 1.00 0.00 C ATOM 0 H LEU A 29 -3.572 4.881 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.321 2.710 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.851 2.315 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.731 3.541 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.256 2.205 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.159 -0.082 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.464 1.129 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.167 0.160 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.101 0.316 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.099 0.596 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.074 1.827 -3.609 1.00 0.00 H new ATOM 420 N THR A 30 -3.648 3.740 -0.044 1.00 0.00 N ATOM 421 CA THR A 30 -3.204 4.290 1.279 1.00 0.00 C ATOM 422 C THR A 30 -2.341 3.240 1.997 1.00 0.00 C ATOM 423 O THR A 30 -2.517 2.050 1.824 1.00 0.00 O ATOM 424 CB THR A 30 -4.452 4.635 2.110 1.00 0.00 C ATOM 425 OG1 THR A 30 -5.422 3.613 1.943 1.00 0.00 O ATOM 426 CG2 THR A 30 -5.043 5.959 1.620 1.00 0.00 C ATOM 0 H THR A 30 -4.442 3.102 0.007 1.00 0.00 H new ATOM 0 HA THR A 30 -2.608 5.192 1.142 1.00 0.00 H new ATOM 0 HB THR A 30 -4.174 4.720 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.218 3.828 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.927 6.203 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.303 6.751 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.321 5.867 0.570 1.00 0.00 H new ATOM 434 N ARG A 31 -1.392 3.681 2.779 1.00 0.00 N ATOM 435 CA ARG A 31 -0.482 2.734 3.494 1.00 0.00 C ATOM 436 C ARG A 31 -1.237 1.969 4.597 1.00 0.00 C ATOM 437 O ARG A 31 -0.824 0.906 5.022 1.00 0.00 O ATOM 438 CB ARG A 31 0.654 3.543 4.133 1.00 0.00 C ATOM 439 CG ARG A 31 1.690 2.596 4.772 1.00 0.00 C ATOM 440 CD ARG A 31 2.940 3.387 5.271 1.00 0.00 C ATOM 441 NE ARG A 31 3.278 3.002 6.687 1.00 0.00 N ATOM 442 CZ ARG A 31 2.415 3.120 7.663 1.00 0.00 C ATOM 443 NH1 ARG A 31 1.247 3.660 7.449 1.00 0.00 N ATOM 444 NH2 ARG A 31 2.735 2.720 8.864 1.00 0.00 N ATOM 0 H ARG A 31 -1.205 4.668 2.956 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.091 2.009 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.136 4.165 3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.250 4.215 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.235 2.064 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.998 1.844 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.790 3.183 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.746 4.458 5.216 1.00 0.00 H new ATOM 0 HE ARG A 31 4.209 2.638 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.002 3.993 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.578 3.749 8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.656 2.317 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.064 2.811 9.627 1.00 0.00 H new ATOM 458 N GLU A 32 -2.314 2.519 5.086 1.00 0.00 N ATOM 459 CA GLU A 32 -3.076 1.856 6.193 1.00 0.00 C ATOM 460 C GLU A 32 -3.651 0.493 5.770 1.00 0.00 C ATOM 461 O GLU A 32 -3.951 -0.335 6.608 1.00 0.00 O ATOM 462 CB GLU A 32 -4.225 2.776 6.620 1.00 0.00 C ATOM 463 CG GLU A 32 -4.903 2.216 7.875 1.00 0.00 C ATOM 464 CD GLU A 32 -5.930 3.225 8.395 1.00 0.00 C ATOM 465 OE1 GLU A 32 -5.530 4.145 9.087 1.00 0.00 O ATOM 466 OE2 GLU A 32 -7.100 3.060 8.090 1.00 0.00 O ATOM 0 H GLU A 32 -2.705 3.405 4.767 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.386 1.680 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.845 3.778 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.951 2.864 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.392 1.269 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.157 2.011 8.643 1.00 0.00 H new ATOM 473 N ASP A 33 -3.827 0.246 4.496 1.00 0.00 N ATOM 474 CA ASP A 33 -4.406 -1.064 4.048 1.00 0.00 C ATOM 475 C ASP A 33 -3.276 -2.074 3.802 1.00 0.00 C ATOM 476 O ASP A 33 -3.207 -3.086 4.471 1.00 0.00 O ATOM 477 CB ASP A 33 -5.190 -0.846 2.750 1.00 0.00 C ATOM 478 CG ASP A 33 -5.875 -2.150 2.326 1.00 0.00 C ATOM 479 OD1 ASP A 33 -5.529 -3.186 2.869 1.00 0.00 O ATOM 480 OD2 ASP A 33 -6.736 -2.088 1.465 1.00 0.00 O ATOM 0 H ASP A 33 -3.595 0.894 3.743 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.070 -1.453 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.935 -0.064 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.518 -0.506 1.962 1.00 0.00 H new ATOM 485 N VAL A 34 -2.391 -1.824 2.842 1.00 0.00 N ATOM 486 CA VAL A 34 -1.274 -2.792 2.567 1.00 0.00 C ATOM 487 C VAL A 34 -0.665 -3.286 3.895 1.00 0.00 C ATOM 488 O VAL A 34 -0.147 -4.383 3.983 1.00 0.00 O ATOM 489 CB VAL A 34 -0.192 -2.107 1.698 1.00 0.00 C ATOM 490 CG1 VAL A 34 0.612 -3.174 0.938 1.00 0.00 C ATOM 491 CG2 VAL A 34 -0.867 -1.161 0.686 1.00 0.00 C ATOM 0 H VAL A 34 -2.401 -0.996 2.246 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.668 -3.652 2.025 1.00 0.00 H new ATOM 0 HB VAL A 34 0.478 -1.537 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.373 -2.689 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.092 -3.844 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.058 -3.746 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.105 -0.679 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.538 -1.733 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.436 -0.401 1.222 1.00 0.00 H new ATOM 501 N GLU A 35 -0.753 -2.489 4.937 1.00 0.00 N ATOM 502 CA GLU A 35 -0.213 -2.915 6.263 1.00 0.00 C ATOM 503 C GLU A 35 -1.265 -3.793 6.969 1.00 0.00 C ATOM 504 O GLU A 35 -0.944 -4.868 7.433 1.00 0.00 O ATOM 505 CB GLU A 35 0.085 -1.679 7.120 1.00 0.00 C ATOM 506 CG GLU A 35 1.290 -0.926 6.543 1.00 0.00 C ATOM 507 CD GLU A 35 1.662 0.228 7.475 1.00 0.00 C ATOM 508 OE1 GLU A 35 0.758 0.895 7.950 1.00 0.00 O ATOM 509 OE2 GLU A 35 2.845 0.425 7.699 1.00 0.00 O ATOM 0 H GLU A 35 -1.177 -1.561 4.922 1.00 0.00 H new ATOM 0 HA GLU A 35 0.708 -3.481 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.786 -1.024 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.290 -1.978 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.136 -1.604 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.053 -0.544 5.550 1.00 0.00 H new ATOM 516 N LYS A 36 -2.526 -3.358 7.056 1.00 0.00 N ATOM 517 CA LYS A 36 -3.572 -4.204 7.733 1.00 0.00 C ATOM 518 C LYS A 36 -3.445 -5.660 7.255 1.00 0.00 C ATOM 519 O LYS A 36 -3.611 -6.595 8.012 1.00 0.00 O ATOM 520 CB LYS A 36 -4.965 -3.659 7.385 1.00 0.00 C ATOM 521 CG LYS A 36 -6.027 -4.322 8.278 1.00 0.00 C ATOM 522 CD LYS A 36 -7.436 -3.977 7.770 1.00 0.00 C ATOM 523 CE LYS A 36 -7.700 -2.465 7.882 1.00 0.00 C ATOM 524 NZ LYS A 36 -9.168 -2.217 7.808 1.00 0.00 N ATOM 0 H LYS A 36 -2.860 -2.466 6.690 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.430 -4.171 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.986 -2.578 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.188 -3.852 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.888 -5.403 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.910 -3.983 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.541 -4.294 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.180 -4.525 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.301 -2.083 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.188 -1.934 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.352 -1.196 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.534 -2.569 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.644 -2.713 8.589 1.00 0.00 H new ATOM 538 N HIS A 37 -3.104 -5.842 6.009 1.00 0.00 N ATOM 539 CA HIS A 37 -2.905 -7.210 5.470 1.00 0.00 C ATOM 540 C HIS A 37 -1.661 -7.770 6.153 1.00 0.00 C ATOM 541 O HIS A 37 -1.738 -8.617 7.020 1.00 0.00 O ATOM 542 CB HIS A 37 -2.684 -7.125 3.953 1.00 0.00 C ATOM 543 CG HIS A 37 -2.405 -8.490 3.390 1.00 0.00 C ATOM 544 ND1 HIS A 37 -2.491 -9.641 4.156 1.00 0.00 N ATOM 545 CD2 HIS A 37 -2.041 -8.905 2.129 1.00 0.00 C ATOM 546 CE1 HIS A 37 -2.185 -10.682 3.361 1.00 0.00 C ATOM 547 NE2 HIS A 37 -1.903 -10.290 2.115 1.00 0.00 N ATOM 0 H HIS A 37 -2.954 -5.090 5.336 1.00 0.00 H new ATOM 0 HA HIS A 37 -3.769 -7.849 5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.565 -6.699 3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.850 -6.457 3.737 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.886 -8.255 1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.169 -11.711 3.690 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.643 -10.879 1.324 1.00 0.00 H new ATOM 555 N LEU A 38 -0.514 -7.265 5.791 1.00 0.00 N ATOM 556 CA LEU A 38 0.744 -7.732 6.449 1.00 0.00 C ATOM 557 C LEU A 38 0.661 -7.384 7.957 1.00 0.00 C ATOM 558 O LEU A 38 -0.067 -8.028 8.686 1.00 0.00 O ATOM 559 CB LEU A 38 1.947 -7.016 5.822 1.00 0.00 C ATOM 560 CG LEU A 38 2.029 -7.314 4.306 1.00 0.00 C ATOM 561 CD1 LEU A 38 2.948 -6.283 3.637 1.00 0.00 C ATOM 562 CD2 LEU A 38 2.588 -8.733 4.061 1.00 0.00 C ATOM 0 H LEU A 38 -0.391 -6.552 5.072 1.00 0.00 H new ATOM 0 HA LEU A 38 0.863 -8.807 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.862 -5.941 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.865 -7.340 6.312 1.00 0.00 H new ATOM 0 HG LEU A 38 1.027 -7.254 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.009 -6.489 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.545 -5.282 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.944 -6.345 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.638 -8.924 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.587 -8.810 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.934 -9.468 4.530 1.00 0.00 H new ATOM 574 N ALA A 39 1.378 -6.367 8.452 1.00 0.00 N ATOM 575 CA ALA A 39 1.276 -6.027 9.904 1.00 0.00 C ATOM 576 C ALA A 39 1.459 -7.287 10.758 1.00 0.00 C ATOM 577 O ALA A 39 0.908 -7.405 11.835 1.00 0.00 O ATOM 578 CB ALA A 39 -0.098 -5.407 10.183 1.00 0.00 C ATOM 0 H ALA A 39 2.012 -5.780 7.910 1.00 0.00 H new ATOM 0 HA ALA A 39 2.059 -5.314 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.177 -5.158 11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.217 -4.502 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.879 -6.120 9.919 1.00 0.00 H new ATOM 584 N LYS A 40 2.232 -8.229 10.285 1.00 0.00 N ATOM 585 CA LYS A 40 2.456 -9.483 11.065 1.00 0.00 C ATOM 586 C LYS A 40 3.628 -10.252 10.437 1.00 0.00 C ATOM 587 O LYS A 40 3.484 -10.702 9.314 1.00 0.00 O ATOM 588 CB LYS A 40 1.165 -10.338 11.031 1.00 0.00 C ATOM 589 CG LYS A 40 1.086 -11.272 12.254 1.00 0.00 C ATOM 590 CD LYS A 40 2.366 -12.121 12.370 1.00 0.00 C ATOM 591 CE LYS A 40 2.143 -13.266 13.363 1.00 0.00 C ATOM 592 NZ LYS A 40 3.383 -14.087 13.461 1.00 0.00 N ATOM 593 OXT LYS A 40 4.650 -10.375 11.095 1.00 0.00 O ATOM 0 H LYS A 40 2.719 -8.184 9.390 1.00 0.00 H new ATOM 0 HA LYS A 40 2.696 -9.251 12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.293 -9.685 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.141 -10.929 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.951 -10.682 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.217 -11.924 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.637 -12.522 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.197 -11.498 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.880 -12.866 14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.308 -13.886 13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.232 -14.865 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.614 -14.479 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.169 -13.491 13.790 1.00 0.00 H new TER 607 LYS A 40