USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 439 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 45 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 47 THR OG1 : rot 142:sc= -4.4! USER MOD Single : A 51 ASN : amide:sc= -0.0616 K(o=-0.062,f=-0.69) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.00424 X(o=0.0042,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= -0.214 (180deg=-1.82!) USER MOD Single : A 74 THR OG1 : rot 111:sc= -1.15 USER MOD Single : A 76 SER OG : rot 100:sc= -1.65 USER MOD Single : A 79 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.014) USER MOD Single : A 88 GLN : amide:sc= -0.093 X(o=-0.093,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 39 6.183 0.736 6.284 1.00 0.00 N ATOM 2 CA GLU A 39 5.754 0.159 5.016 1.00 0.00 C ATOM 3 C GLU A 39 4.916 1.154 4.220 1.00 0.00 C ATOM 4 O GLU A 39 4.872 1.100 2.990 1.00 0.00 O ATOM 5 CB GLU A 39 4.952 -1.121 5.261 1.00 0.00 C ATOM 6 CG GLU A 39 5.796 -2.385 5.226 1.00 0.00 C ATOM 7 CD GLU A 39 6.547 -2.621 6.522 1.00 0.00 C ATOM 8 OE1 GLU A 39 7.455 -1.824 6.835 1.00 0.00 O ATOM 9 OE2 GLU A 39 6.224 -3.603 7.224 1.00 0.00 O ATOM 0 HA GLU A 39 6.644 -0.083 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.459 -1.051 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.167 -1.197 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.153 -3.241 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.509 -2.319 4.404 1.00 0.00 H new ATOM 16 N ILE A 40 4.249 2.060 4.928 1.00 0.00 N ATOM 17 CA ILE A 40 3.408 3.067 4.287 1.00 0.00 C ATOM 18 C ILE A 40 4.008 4.460 4.461 1.00 0.00 C ATOM 19 O ILE A 40 4.375 4.851 5.570 1.00 0.00 O ATOM 20 CB ILE A 40 2.000 3.057 4.911 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.456 1.627 4.979 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.062 3.956 4.118 1.00 0.00 C ATOM 23 CD1 ILE A 40 0.063 1.533 5.562 1.00 0.00 C ATOM 0 H ILE A 40 4.274 2.118 5.946 1.00 0.00 H new ATOM 0 HA ILE A 40 3.347 2.827 3.225 1.00 0.00 H new ATOM 0 HB ILE A 40 2.066 3.445 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.450 1.202 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.133 1.018 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.071 3.938 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.445 4.976 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.997 3.598 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.255 0.491 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.067 1.927 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.627 2.114 4.950 1.00 0.00 H new ATOM 35 N LEU A 41 4.062 5.225 3.374 1.00 0.00 N ATOM 36 CA LEU A 41 4.597 6.584 3.426 1.00 0.00 C ATOM 37 C LEU A 41 3.632 7.542 2.750 1.00 0.00 C ATOM 38 O LEU A 41 3.179 7.280 1.637 1.00 0.00 O ATOM 39 CB LEU A 41 5.940 6.638 2.697 1.00 0.00 C ATOM 40 CG LEU A 41 7.163 6.795 3.601 1.00 0.00 C ATOM 41 CD1 LEU A 41 7.684 5.434 4.036 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.252 7.582 2.890 1.00 0.00 C ATOM 0 H LEU A 41 3.744 4.930 2.451 1.00 0.00 H new ATOM 0 HA LEU A 41 4.731 6.871 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.055 5.726 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.920 7.469 1.992 1.00 0.00 H new ATOM 0 HG LEU A 41 6.865 7.348 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.554 5.566 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.905 4.905 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.967 4.855 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.115 7.684 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.548 7.056 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.875 8.571 2.629 1.00 0.00 H new ATOM 54 N ILE A 42 3.347 8.673 3.386 1.00 0.00 N ATOM 55 CA ILE A 42 2.446 9.639 2.775 1.00 0.00 C ATOM 56 C ILE A 42 3.137 10.971 2.497 1.00 0.00 C ATOM 57 O ILE A 42 3.766 11.564 3.375 1.00 0.00 O ATOM 58 CB ILE A 42 1.206 9.885 3.680 1.00 0.00 C ATOM 59 CG1 ILE A 42 1.526 10.860 4.823 1.00 0.00 C ATOM 60 CG2 ILE A 42 0.678 8.572 4.246 1.00 0.00 C ATOM 61 CD1 ILE A 42 2.598 10.362 5.767 1.00 0.00 C ATOM 0 H ILE A 42 3.716 8.938 4.299 1.00 0.00 H new ATOM 0 HA ILE A 42 2.128 9.213 1.824 1.00 0.00 H new ATOM 0 HB ILE A 42 0.434 10.335 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.843 11.812 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.615 11.052 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.189 8.770 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.389 7.913 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.456 8.093 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.769 11.104 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.276 9.425 6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.523 10.198 5.214 1.00 0.00 H new ATOM 73 N GLU A 43 2.959 11.453 1.274 1.00 0.00 N ATOM 74 CA GLU A 43 3.515 12.730 0.846 1.00 0.00 C ATOM 75 C GLU A 43 2.421 13.492 0.112 1.00 0.00 C ATOM 76 O GLU A 43 1.740 12.920 -0.732 1.00 0.00 O ATOM 77 CB GLU A 43 4.674 12.475 -0.119 1.00 0.00 C ATOM 78 CG GLU A 43 6.038 12.496 0.551 1.00 0.00 C ATOM 79 CD GLU A 43 6.682 11.125 0.611 1.00 0.00 C ATOM 80 OE1 GLU A 43 5.946 10.119 0.527 1.00 0.00 O ATOM 81 OE2 GLU A 43 7.923 11.056 0.741 1.00 0.00 O ATOM 0 H GLU A 43 2.425 10.970 0.551 1.00 0.00 H new ATOM 0 HA GLU A 43 3.874 13.298 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.529 11.508 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.653 13.229 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.694 13.177 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.935 12.889 1.562 1.00 0.00 H new ATOM 88 N GLY A 44 2.283 14.783 0.370 1.00 0.00 N ATOM 89 CA GLY A 44 1.271 15.558 -0.330 1.00 0.00 C ATOM 90 C GLY A 44 -0.125 14.953 -0.207 1.00 0.00 C ATOM 91 O GLY A 44 -0.854 15.259 0.736 1.00 0.00 O ATOM 0 H GLY A 44 2.844 15.306 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.259 16.573 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.539 15.630 -1.384 1.00 0.00 H new ATOM 95 N ASN A 45 -0.504 14.100 -1.167 1.00 0.00 N ATOM 96 CA ASN A 45 -1.831 13.470 -1.151 1.00 0.00 C ATOM 97 C ASN A 45 -1.798 12.001 -1.605 1.00 0.00 C ATOM 98 O ASN A 45 -2.814 11.309 -1.547 1.00 0.00 O ATOM 99 CB ASN A 45 -2.794 14.260 -2.039 1.00 0.00 C ATOM 100 CG ASN A 45 -2.200 14.575 -3.398 1.00 0.00 C ATOM 101 OD1 ASN A 45 -1.790 15.705 -3.663 1.00 0.00 O ATOM 102 ND2 ASN A 45 -2.151 13.573 -4.269 1.00 0.00 N ATOM 0 H ASN A 45 0.082 13.832 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.175 13.482 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.713 13.690 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.065 15.190 -1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.762 13.725 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.502 12.652 -4.007 1.00 0.00 H new ATOM 109 N ARG A 46 -0.635 11.529 -2.046 1.00 0.00 N ATOM 110 CA ARG A 46 -0.474 10.149 -2.500 1.00 0.00 C ATOM 111 C ARG A 46 0.477 9.401 -1.565 1.00 0.00 C ATOM 112 O ARG A 46 1.541 9.917 -1.205 1.00 0.00 O ATOM 113 CB ARG A 46 0.109 10.171 -3.914 1.00 0.00 C ATOM 114 CG ARG A 46 1.474 10.837 -3.998 1.00 0.00 C ATOM 115 CD ARG A 46 2.564 9.836 -4.353 1.00 0.00 C ATOM 116 NE ARG A 46 3.847 10.187 -3.748 1.00 0.00 N ATOM 117 CZ ARG A 46 4.664 11.121 -4.229 1.00 0.00 C ATOM 118 NH1 ARG A 46 4.335 11.801 -5.321 1.00 0.00 N ATOM 119 NH2 ARG A 46 5.813 11.375 -3.618 1.00 0.00 N ATOM 0 H ARG A 46 0.217 12.087 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.439 9.642 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.190 9.148 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.582 10.693 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.448 11.629 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.709 11.309 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.266 8.842 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.675 9.789 -5.436 1.00 0.00 H new ATOM 0 HE ARG A 46 4.134 9.686 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.453 11.609 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.965 12.516 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.071 10.855 -2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.439 12.091 -3.987 1.00 0.00 H new ATOM 133 N THR A 47 0.137 8.156 -1.235 1.00 0.00 N ATOM 134 CA THR A 47 0.989 7.333 -0.385 1.00 0.00 C ATOM 135 C THR A 47 1.388 6.062 -1.119 1.00 0.00 C ATOM 136 O THR A 47 0.553 5.392 -1.720 1.00 0.00 O ATOM 137 CB THR A 47 0.214 6.969 0.878 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.053 8.124 1.652 1.00 0.00 O ATOM 139 CG2 THR A 47 0.919 5.967 1.770 1.00 0.00 C ATOM 0 H THR A 47 -0.721 7.698 -1.543 1.00 0.00 H new ATOM 0 HA THR A 47 1.891 7.887 -0.126 1.00 0.00 H new ATOM 0 HB THR A 47 -0.706 6.508 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.949 8.055 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.302 5.762 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.085 5.042 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.878 6.375 2.089 1.00 0.00 H new ATOM 147 N ILE A 48 2.646 5.688 -0.982 1.00 0.00 N ATOM 148 CA ILE A 48 3.155 4.459 -1.583 1.00 0.00 C ATOM 149 C ILE A 48 3.445 3.436 -0.494 1.00 0.00 C ATOM 150 O ILE A 48 4.067 3.763 0.521 1.00 0.00 O ATOM 151 CB ILE A 48 4.462 4.757 -2.346 1.00 0.00 C ATOM 152 CG1 ILE A 48 5.405 5.603 -1.487 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.158 5.462 -3.658 1.00 0.00 C ATOM 154 CD1 ILE A 48 6.847 5.549 -1.939 1.00 0.00 C ATOM 0 H ILE A 48 3.342 6.218 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 48 2.406 4.065 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 48 4.957 3.812 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.066 6.639 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.344 5.264 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.090 5.666 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.524 4.825 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.643 6.401 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.457 6.172 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.203 4.520 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.922 5.917 -2.962 1.00 0.00 H new ATOM 166 N ILE A 49 3.074 2.178 -0.729 1.00 0.00 N ATOM 167 CA ILE A 49 3.350 1.135 0.241 1.00 0.00 C ATOM 168 C ILE A 49 4.114 -0.018 -0.376 1.00 0.00 C ATOM 169 O ILE A 49 3.747 -0.550 -1.425 1.00 0.00 O ATOM 170 CB ILE A 49 2.063 0.601 0.883 1.00 0.00 C ATOM 171 CG1 ILE A 49 1.251 1.754 1.460 1.00 0.00 C ATOM 172 CG2 ILE A 49 2.386 -0.421 1.965 1.00 0.00 C ATOM 173 CD1 ILE A 49 0.378 2.451 0.439 1.00 0.00 C ATOM 0 H ILE A 49 2.590 1.866 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 49 3.967 1.594 1.014 1.00 0.00 H new ATOM 0 HB ILE A 49 1.470 0.104 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.622 1.377 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.932 2.482 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.460 -0.787 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.933 -1.255 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.997 0.047 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.170 3.260 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.002 2.859 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.328 1.736 0.015 1.00 0.00 H new ATOM 185 N ARG A 50 5.176 -0.398 0.310 1.00 0.00 N ATOM 186 CA ARG A 50 6.019 -1.497 -0.127 1.00 0.00 C ATOM 187 C ARG A 50 5.403 -2.819 0.303 1.00 0.00 C ATOM 188 O ARG A 50 6.013 -3.595 1.040 1.00 0.00 O ATOM 189 CB ARG A 50 7.428 -1.354 0.454 1.00 0.00 C ATOM 190 CG ARG A 50 8.526 -1.830 -0.484 1.00 0.00 C ATOM 191 CD ARG A 50 9.905 -1.624 0.124 1.00 0.00 C ATOM 192 NE ARG A 50 10.973 -2.008 -0.796 1.00 0.00 N ATOM 193 CZ ARG A 50 11.487 -1.198 -1.720 1.00 0.00 C ATOM 194 NH1 ARG A 50 11.029 0.040 -1.860 1.00 0.00 N ATOM 195 NH2 ARG A 50 12.461 -1.630 -2.510 1.00 0.00 N ATOM 0 H ARG A 50 5.478 0.042 1.179 1.00 0.00 H new ATOM 0 HA ARG A 50 6.092 -1.475 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.604 -0.308 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.487 -1.919 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.381 -2.886 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.459 -1.290 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.026 -0.577 0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.988 -2.209 1.040 1.00 0.00 H new ATOM 0 HE ARG A 50 11.348 -2.954 -0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.278 0.377 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.428 0.654 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.815 -2.581 -2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.856 -1.011 -3.218 1.00 0.00 H new ATOM 209 N ASN A 51 4.181 -3.067 -0.159 1.00 0.00 N ATOM 210 CA ASN A 51 3.474 -4.291 0.183 1.00 0.00 C ATOM 211 C ASN A 51 3.831 -5.422 -0.767 1.00 0.00 C ATOM 212 O ASN A 51 3.080 -6.386 -0.912 1.00 0.00 O ATOM 213 CB ASN A 51 1.963 -4.055 0.174 1.00 0.00 C ATOM 214 CG ASN A 51 1.221 -5.024 1.073 1.00 0.00 C ATOM 215 OD1 ASN A 51 0.644 -6.006 0.605 1.00 0.00 O ATOM 216 ND2 ASN A 51 1.230 -4.752 2.372 1.00 0.00 N ATOM 0 H ASN A 51 3.663 -2.436 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 51 3.783 -4.583 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.756 -3.034 0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.589 -4.151 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.746 -5.368 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.721 -3.927 2.717 1.00 0.00 H new ATOM 223 N PHE A 52 4.969 -5.287 -1.435 1.00 0.00 N ATOM 224 CA PHE A 52 5.406 -6.284 -2.402 1.00 0.00 C ATOM 225 C PHE A 52 5.237 -7.725 -1.933 1.00 0.00 C ATOM 226 O PHE A 52 4.811 -8.550 -2.726 1.00 0.00 O ATOM 227 CB PHE A 52 6.847 -6.086 -2.871 1.00 0.00 C ATOM 228 CG PHE A 52 7.120 -6.803 -4.176 1.00 0.00 C ATOM 229 CD1 PHE A 52 6.073 -7.362 -4.911 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.409 -6.924 -4.671 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.304 -8.019 -6.100 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.647 -7.583 -5.866 1.00 0.00 C ATOM 233 CZ PHE A 52 7.594 -8.129 -6.582 1.00 0.00 C ATOM 0 H PHE A 52 5.605 -4.497 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 52 4.733 -6.119 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.046 -5.021 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.531 -6.452 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.062 -7.278 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.236 -6.501 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.480 -8.446 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.656 -7.671 -6.241 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.781 -8.640 -7.515 1.00 0.00 H new ATOM 243 N ARG A 53 5.572 -8.077 -0.700 1.00 0.00 N ATOM 244 CA ARG A 53 5.415 -9.482 -0.275 1.00 0.00 C ATOM 245 C ARG A 53 3.997 -10.007 -0.592 1.00 0.00 C ATOM 246 O ARG A 53 3.779 -10.759 -1.563 1.00 0.00 O ATOM 247 CB ARG A 53 5.705 -9.619 1.222 1.00 0.00 C ATOM 248 CG ARG A 53 6.683 -10.737 1.551 1.00 0.00 C ATOM 249 CD ARG A 53 6.075 -11.746 2.511 1.00 0.00 C ATOM 250 NE ARG A 53 7.072 -12.312 3.417 1.00 0.00 N ATOM 251 CZ ARG A 53 6.773 -12.921 4.562 1.00 0.00 C ATOM 252 NH1 ARG A 53 5.508 -13.044 4.946 1.00 0.00 N ATOM 253 NH2 ARG A 53 7.742 -13.409 5.326 1.00 0.00 N ATOM 0 H ARG A 53 5.942 -7.444 0.009 1.00 0.00 H new ATOM 0 HA ARG A 53 6.132 -10.084 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.105 -8.676 1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.769 -9.799 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.982 -11.242 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.586 -10.314 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.289 -11.264 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.605 -12.549 1.943 1.00 0.00 H new ATOM 0 HE ARG A 53 8.055 -12.236 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.759 -12.671 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.285 -13.512 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.715 -13.317 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.513 -13.876 6.204 1.00 0.00 H new ATOM 267 N GLU A 54 3.034 -9.577 0.221 1.00 0.00 N ATOM 268 CA GLU A 54 1.639 -9.957 0.039 1.00 0.00 C ATOM 269 C GLU A 54 1.236 -9.714 -1.406 1.00 0.00 C ATOM 270 O GLU A 54 0.650 -10.575 -2.063 1.00 0.00 O ATOM 271 CB GLU A 54 0.735 -9.161 0.984 1.00 0.00 C ATOM 272 CG GLU A 54 -0.193 -10.033 1.814 1.00 0.00 C ATOM 273 CD GLU A 54 0.554 -10.889 2.817 1.00 0.00 C ATOM 274 OE1 GLU A 54 1.389 -11.714 2.390 1.00 0.00 O ATOM 275 OE2 GLU A 54 0.306 -10.734 4.031 1.00 0.00 O ATOM 0 H GLU A 54 3.199 -8.961 1.017 1.00 0.00 H new ATOM 0 HA GLU A 54 1.525 -11.015 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.357 -8.566 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.137 -8.462 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.905 -9.399 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.770 -10.677 1.151 1.00 0.00 H new ATOM 282 N LEU A 55 1.573 -8.525 -1.889 1.00 0.00 N ATOM 283 CA LEU A 55 1.274 -8.131 -3.255 1.00 0.00 C ATOM 284 C LEU A 55 1.700 -9.211 -4.243 1.00 0.00 C ATOM 285 O LEU A 55 0.935 -9.571 -5.122 1.00 0.00 O ATOM 286 CB LEU A 55 1.959 -6.808 -3.598 1.00 0.00 C ATOM 287 CG LEU A 55 1.349 -6.060 -4.788 1.00 0.00 C ATOM 288 CD1 LEU A 55 0.678 -4.774 -4.325 1.00 0.00 C ATOM 289 CD2 LEU A 55 2.407 -5.763 -5.841 1.00 0.00 C ATOM 0 H LEU A 55 2.059 -7.811 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 55 0.195 -7.999 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.925 -6.159 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.010 -7.003 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 55 0.591 -6.700 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.251 -4.257 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.113 -5.012 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.416 -4.131 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.950 -5.232 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.192 -5.146 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.837 -6.699 -6.198 1.00 0.00 H new ATOM 301 N ALA A 56 2.917 -9.721 -4.106 1.00 0.00 N ATOM 302 CA ALA A 56 3.442 -10.752 -4.993 1.00 0.00 C ATOM 303 C ALA A 56 2.433 -11.868 -5.131 1.00 0.00 C ATOM 304 O ALA A 56 1.984 -12.190 -6.237 1.00 0.00 O ATOM 305 CB ALA A 56 4.761 -11.289 -4.459 1.00 0.00 C ATOM 0 H ALA A 56 3.569 -9.432 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 56 3.624 -10.317 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.140 -12.058 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.484 -10.476 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.605 -11.718 -3.469 1.00 0.00 H new ATOM 311 N LYS A 57 2.026 -12.424 -3.995 1.00 0.00 N ATOM 312 CA LYS A 57 1.002 -13.466 -4.029 1.00 0.00 C ATOM 313 C LYS A 57 -0.166 -12.931 -4.859 1.00 0.00 C ATOM 314 O LYS A 57 -0.675 -13.570 -5.797 1.00 0.00 O ATOM 315 CB LYS A 57 0.540 -13.825 -2.613 1.00 0.00 C ATOM 316 CG LYS A 57 0.675 -15.305 -2.287 1.00 0.00 C ATOM 317 CD LYS A 57 2.107 -15.668 -1.927 1.00 0.00 C ATOM 318 CE LYS A 57 2.258 -17.160 -1.683 1.00 0.00 C ATOM 319 NZ LYS A 57 2.649 -17.889 -2.922 1.00 0.00 N ATOM 0 H LYS A 57 2.374 -12.183 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 57 1.403 -14.377 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.120 -13.248 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.502 -13.528 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.015 -15.558 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.352 -15.898 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.775 -15.360 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.409 -15.120 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.009 -17.327 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.318 -17.563 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.742 -18.904 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.920 -17.751 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.559 -17.522 -3.268 1.00 0.00 H new ATOM 333 N ALA A 58 -0.550 -11.713 -4.511 1.00 0.00 N ATOM 334 CA ALA A 58 -1.613 -11.012 -5.195 1.00 0.00 C ATOM 335 C ALA A 58 -1.410 -11.012 -6.709 1.00 0.00 C ATOM 336 O ALA A 58 -2.348 -11.296 -7.450 1.00 0.00 O ATOM 337 CB ALA A 58 -1.728 -9.589 -4.669 1.00 0.00 C ATOM 0 H ALA A 58 -0.130 -11.186 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.544 -11.541 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.532 -9.072 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.946 -9.612 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.788 -9.062 -4.836 1.00 0.00 H new ATOM 343 N VAL A 59 -0.210 -10.668 -7.194 1.00 0.00 N ATOM 344 CA VAL A 59 0.017 -10.615 -8.635 1.00 0.00 C ATOM 345 C VAL A 59 -0.462 -11.870 -9.296 1.00 0.00 C ATOM 346 O VAL A 59 -1.243 -11.760 -10.237 1.00 0.00 O ATOM 347 CB VAL A 59 1.459 -10.261 -9.095 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.402 -9.993 -7.933 1.00 0.00 C ATOM 349 CG2 VAL A 59 2.041 -11.332 -10.012 1.00 0.00 C ATOM 0 H VAL A 59 0.599 -10.428 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.578 -9.763 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 59 1.368 -9.333 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.393 -9.751 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.026 -9.155 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.464 -10.880 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.050 -11.046 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.075 -12.284 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.415 -11.432 -10.898 1.00 0.00 H new ATOM 359 N ASN A 60 -0.058 -13.025 -8.772 1.00 0.00 N ATOM 360 CA ASN A 60 -0.519 -14.291 -9.319 1.00 0.00 C ATOM 361 C ASN A 60 -2.035 -14.245 -9.465 1.00 0.00 C ATOM 362 O ASN A 60 -2.599 -14.792 -10.412 1.00 0.00 O ATOM 363 CB ASN A 60 -0.108 -15.452 -8.411 1.00 0.00 C ATOM 364 CG ASN A 60 1.382 -15.722 -8.458 1.00 0.00 C ATOM 365 OD1 ASN A 60 1.857 -16.503 -9.283 1.00 0.00 O ATOM 366 ND2 ASN A 60 2.129 -15.075 -7.571 1.00 0.00 N ATOM 0 H ASN A 60 0.579 -13.107 -7.980 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.062 -14.450 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.402 -15.229 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.647 -16.351 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.139 -15.216 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.693 -14.437 -6.906 1.00 0.00 H new ATOM 373 N ARG A 61 -2.686 -13.559 -8.524 1.00 0.00 N ATOM 374 CA ARG A 61 -4.145 -13.413 -8.561 1.00 0.00 C ATOM 375 C ARG A 61 -4.562 -11.973 -8.909 1.00 0.00 C ATOM 376 O ARG A 61 -5.626 -11.513 -8.495 1.00 0.00 O ATOM 377 CB ARG A 61 -4.749 -13.817 -7.214 1.00 0.00 C ATOM 378 CG ARG A 61 -5.024 -15.308 -7.096 1.00 0.00 C ATOM 379 CD ARG A 61 -4.749 -15.816 -5.689 1.00 0.00 C ATOM 380 NE ARG A 61 -5.738 -15.331 -4.728 1.00 0.00 N ATOM 381 CZ ARG A 61 -6.952 -15.858 -4.583 1.00 0.00 C ATOM 382 NH1 ARG A 61 -7.333 -16.884 -5.335 1.00 0.00 N ATOM 383 NH2 ARG A 61 -7.788 -15.359 -3.683 1.00 0.00 N ATOM 0 H ARG A 61 -2.233 -13.099 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.524 -14.071 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.071 -13.516 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.680 -13.271 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.062 -15.510 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.403 -15.851 -7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.750 -16.906 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.754 -15.498 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.483 -14.542 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.694 -17.273 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.264 -17.283 -5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.501 -14.571 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.718 -15.763 -3.572 1.00 0.00 H new ATOM 397 N ASP A 62 -3.696 -11.260 -9.642 1.00 0.00 N ATOM 398 CA ASP A 62 -3.933 -9.859 -10.023 1.00 0.00 C ATOM 399 C ASP A 62 -3.475 -8.913 -8.927 1.00 0.00 C ATOM 400 O ASP A 62 -4.277 -8.367 -8.170 1.00 0.00 O ATOM 401 CB ASP A 62 -5.408 -9.615 -10.362 1.00 0.00 C ATOM 402 CG ASP A 62 -6.004 -10.729 -11.200 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.227 -11.487 -11.819 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.247 -10.844 -11.238 1.00 0.00 O ATOM 0 H ASP A 62 -2.813 -11.636 -9.987 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.344 -9.658 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.978 -9.515 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.503 -8.671 -10.899 1.00 0.00 H new ATOM 409 N GLU A 63 -2.161 -8.703 -8.883 1.00 0.00 N ATOM 410 CA GLU A 63 -1.547 -7.789 -7.914 1.00 0.00 C ATOM 411 C GLU A 63 -2.184 -6.449 -8.100 1.00 0.00 C ATOM 412 O GLU A 63 -2.536 -5.747 -7.148 1.00 0.00 O ATOM 413 CB GLU A 63 -0.037 -7.632 -8.119 1.00 0.00 C ATOM 414 CG GLU A 63 0.361 -7.207 -9.526 1.00 0.00 C ATOM 415 CD GLU A 63 0.328 -5.703 -9.714 1.00 0.00 C ATOM 416 OE1 GLU A 63 0.789 -4.981 -8.805 1.00 0.00 O ATOM 417 OE2 GLU A 63 -0.158 -5.247 -10.771 1.00 0.00 O ATOM 0 H GLU A 63 -1.495 -9.155 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.700 -8.197 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.340 -6.896 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.450 -8.579 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.364 -7.574 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.311 -7.674 -10.246 1.00 0.00 H new ATOM 424 N GLU A 64 -2.321 -6.114 -9.371 1.00 0.00 N ATOM 425 CA GLU A 64 -2.920 -4.847 -9.748 1.00 0.00 C ATOM 426 C GLU A 64 -4.263 -4.693 -9.046 1.00 0.00 C ATOM 427 O GLU A 64 -4.554 -3.678 -8.390 1.00 0.00 O ATOM 428 CB GLU A 64 -3.097 -4.763 -11.268 1.00 0.00 C ATOM 429 CG GLU A 64 -3.782 -5.978 -11.874 1.00 0.00 C ATOM 430 CD GLU A 64 -3.680 -6.009 -13.387 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.366 -5.200 -14.045 1.00 0.00 O ATOM 432 OE2 GLU A 64 -2.914 -6.844 -13.913 1.00 0.00 O ATOM 0 H GLU A 64 -2.028 -6.698 -10.154 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.259 -4.036 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.678 -3.873 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.118 -4.640 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.336 -6.884 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.833 -5.981 -11.584 1.00 0.00 H new ATOM 439 N PHE A 65 -5.061 -5.741 -9.171 1.00 0.00 N ATOM 440 CA PHE A 65 -6.366 -5.793 -8.557 1.00 0.00 C ATOM 441 C PHE A 65 -6.279 -5.505 -7.068 1.00 0.00 C ATOM 442 O PHE A 65 -7.068 -4.717 -6.543 1.00 0.00 O ATOM 443 CB PHE A 65 -7.014 -7.159 -8.789 1.00 0.00 C ATOM 444 CG PHE A 65 -8.498 -7.089 -9.012 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.364 -6.902 -7.947 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.025 -7.212 -10.287 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.730 -6.838 -8.150 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.389 -7.148 -10.497 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.243 -6.960 -9.427 1.00 0.00 C ATOM 0 H PHE A 65 -4.817 -6.577 -9.702 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.985 -5.025 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.547 -7.632 -9.653 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.814 -7.798 -7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.968 -6.805 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.362 -7.360 -11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.395 -6.693 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.787 -7.245 -11.496 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.310 -6.909 -9.589 1.00 0.00 H new ATOM 459 N PHE A 66 -5.352 -6.167 -6.362 1.00 0.00 N ATOM 460 CA PHE A 66 -5.274 -5.949 -4.930 1.00 0.00 C ATOM 461 C PHE A 66 -5.113 -4.473 -4.544 1.00 0.00 C ATOM 462 O PHE A 66 -5.966 -3.941 -3.832 1.00 0.00 O ATOM 463 CB PHE A 66 -4.196 -6.716 -4.176 1.00 0.00 C ATOM 464 CG PHE A 66 -4.196 -6.080 -2.836 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.330 -6.173 -2.050 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.184 -5.223 -2.460 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.463 -5.417 -0.920 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.294 -4.494 -1.300 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.445 -4.582 -0.542 1.00 0.00 C ATOM 0 H PHE A 66 -4.677 -6.828 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.243 -6.342 -4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.427 -7.780 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.225 -6.628 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.121 -6.852 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.304 -5.124 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.365 -5.477 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.483 -3.855 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.543 -3.988 0.355 1.00 0.00 H new ATOM 479 N ALA A 67 -4.015 -3.800 -4.939 1.00 0.00 N ATOM 480 CA ALA A 67 -3.842 -2.415 -4.535 1.00 0.00 C ATOM 481 C ALA A 67 -5.183 -1.716 -4.642 1.00 0.00 C ATOM 482 O ALA A 67 -5.615 -1.037 -3.706 1.00 0.00 O ATOM 483 CB ALA A 67 -2.787 -1.726 -5.386 1.00 0.00 C ATOM 0 H ALA A 67 -3.267 -4.185 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.490 -2.371 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.678 -0.691 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.834 -2.244 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.092 -1.749 -6.432 1.00 0.00 H new ATOM 489 N LYS A 68 -5.872 -1.930 -5.764 1.00 0.00 N ATOM 490 CA LYS A 68 -7.202 -1.357 -5.927 1.00 0.00 C ATOM 491 C LYS A 68 -8.000 -1.561 -4.628 1.00 0.00 C ATOM 492 O LYS A 68 -8.582 -0.618 -4.094 1.00 0.00 O ATOM 493 CB LYS A 68 -7.931 -2.012 -7.103 1.00 0.00 C ATOM 494 CG LYS A 68 -8.800 -1.047 -7.893 1.00 0.00 C ATOM 495 CD LYS A 68 -9.198 -1.631 -9.239 1.00 0.00 C ATOM 496 CE LYS A 68 -8.065 -1.529 -10.247 1.00 0.00 C ATOM 497 NZ LYS A 68 -8.264 -2.447 -11.402 1.00 0.00 N ATOM 0 H LYS A 68 -5.539 -2.483 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.110 -0.291 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.196 -2.458 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.553 -2.824 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.696 -0.809 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.261 -0.112 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.482 -2.676 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.074 -1.106 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.991 -0.503 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.120 -1.763 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.470 -2.347 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.309 -3.429 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.153 -2.208 -11.887 1.00 0.00 H new ATOM 511 N TYR A 69 -7.994 -2.797 -4.114 1.00 0.00 N ATOM 512 CA TYR A 69 -8.677 -3.163 -2.863 1.00 0.00 C ATOM 513 C TYR A 69 -8.421 -2.143 -1.780 1.00 0.00 C ATOM 514 O TYR A 69 -9.358 -1.599 -1.199 1.00 0.00 O ATOM 515 CB TYR A 69 -8.236 -4.546 -2.360 1.00 0.00 C ATOM 516 CG TYR A 69 -9.158 -5.665 -2.800 1.00 0.00 C ATOM 517 CD1 TYR A 69 -10.536 -5.543 -2.664 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.657 -6.840 -3.348 1.00 0.00 C ATOM 519 CE1 TYR A 69 -11.386 -6.558 -3.059 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.500 -7.859 -3.746 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.863 -7.713 -3.601 1.00 0.00 C ATOM 522 OH TYR A 69 -11.706 -8.726 -3.996 1.00 0.00 O ATOM 0 H TYR A 69 -7.512 -3.579 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.743 -3.191 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.228 -4.752 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.188 -4.531 -1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.949 -4.639 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.590 -6.958 -3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.454 -6.447 -2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.093 -8.766 -4.169 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.178 -9.468 -4.357 1.00 0.00 H new ATOM 532 N LEU A 70 -7.148 -1.874 -1.517 1.00 0.00 N ATOM 533 CA LEU A 70 -6.788 -0.890 -0.503 1.00 0.00 C ATOM 534 C LEU A 70 -7.672 0.332 -0.673 1.00 0.00 C ATOM 535 O LEU A 70 -8.281 0.823 0.278 1.00 0.00 O ATOM 536 CB LEU A 70 -5.315 -0.505 -0.607 1.00 0.00 C ATOM 537 CG LEU A 70 -4.670 -0.094 0.716 1.00 0.00 C ATOM 538 CD1 LEU A 70 -3.156 -0.127 0.604 1.00 0.00 C ATOM 539 CD2 LEU A 70 -5.149 1.287 1.134 1.00 0.00 C ATOM 0 H LEU A 70 -6.357 -2.317 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.942 -1.322 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.761 -1.348 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.217 0.318 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.970 -0.807 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.714 0.169 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.832 -1.137 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.834 0.563 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.680 1.564 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.879 2.013 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.232 1.275 1.257 1.00 0.00 H new ATOM 551 N LEU A 71 -7.769 0.784 -1.916 1.00 0.00 N ATOM 552 CA LEU A 71 -8.614 1.913 -2.258 1.00 0.00 C ATOM 553 C LEU A 71 -10.061 1.555 -1.952 1.00 0.00 C ATOM 554 O LEU A 71 -10.774 2.312 -1.294 1.00 0.00 O ATOM 555 CB LEU A 71 -8.437 2.295 -3.736 1.00 0.00 C ATOM 556 CG LEU A 71 -9.720 2.391 -4.569 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.572 3.563 -4.107 1.00 0.00 C ATOM 558 CD2 LEU A 71 -9.386 2.524 -6.048 1.00 0.00 C ATOM 0 H LEU A 71 -7.268 0.380 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.327 2.780 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.926 3.257 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.780 1.562 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.292 1.474 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.478 3.614 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.841 3.427 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.008 4.489 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.308 2.591 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.792 3.424 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.818 1.652 -6.372 1.00 0.00 H new ATOM 570 N LYS A 72 -10.484 0.377 -2.418 1.00 0.00 N ATOM 571 CA LYS A 72 -11.838 -0.094 -2.171 1.00 0.00 C ATOM 572 C LYS A 72 -12.162 0.026 -0.689 1.00 0.00 C ATOM 573 O LYS A 72 -13.211 0.543 -0.304 1.00 0.00 O ATOM 574 CB LYS A 72 -11.997 -1.543 -2.637 1.00 0.00 C ATOM 575 CG LYS A 72 -13.139 -1.744 -3.621 1.00 0.00 C ATOM 576 CD LYS A 72 -14.363 -2.337 -2.942 1.00 0.00 C ATOM 577 CE LYS A 72 -14.218 -3.836 -2.742 1.00 0.00 C ATOM 578 NZ LYS A 72 -13.732 -4.516 -3.974 1.00 0.00 N ATOM 0 H LYS A 72 -9.907 -0.261 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.535 0.524 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.067 -1.871 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.161 -2.180 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.401 -0.789 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.814 -2.402 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.515 -1.853 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.249 -2.133 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.524 -4.028 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.180 -4.258 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.211 -5.434 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.940 -3.923 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.705 -4.667 -3.905 1.00 0.00 H new ATOM 592 N GLU A 73 -11.242 -0.461 0.139 1.00 0.00 N ATOM 593 CA GLU A 73 -11.408 -0.415 1.587 1.00 0.00 C ATOM 594 C GLU A 73 -11.661 1.014 2.065 1.00 0.00 C ATOM 595 O GLU A 73 -12.598 1.268 2.821 1.00 0.00 O ATOM 596 CB GLU A 73 -10.170 -0.988 2.281 1.00 0.00 C ATOM 597 CG GLU A 73 -10.496 -1.948 3.413 1.00 0.00 C ATOM 598 CD GLU A 73 -9.673 -3.220 3.354 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.431 -3.120 3.273 1.00 0.00 O ATOM 600 OE2 GLU A 73 -10.270 -4.317 3.389 1.00 0.00 O ATOM 0 H GLU A 73 -10.371 -0.893 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.276 -1.022 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.557 -1.505 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.571 -0.166 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.322 -1.451 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.555 -2.203 3.375 1.00 0.00 H new ATOM 607 N THR A 74 -10.817 1.942 1.624 1.00 0.00 N ATOM 608 CA THR A 74 -10.949 3.344 2.011 1.00 0.00 C ATOM 609 C THR A 74 -12.116 4.009 1.288 1.00 0.00 C ATOM 610 O THR A 74 -13.135 4.329 1.900 1.00 0.00 O ATOM 611 CB THR A 74 -9.653 4.101 1.717 1.00 0.00 C ATOM 612 OG1 THR A 74 -8.549 3.214 1.687 1.00 0.00 O ATOM 613 CG2 THR A 74 -9.349 5.181 2.732 1.00 0.00 C ATOM 0 H THR A 74 -10.035 1.749 0.999 1.00 0.00 H new ATOM 0 HA THR A 74 -11.148 3.377 3.082 1.00 0.00 H new ATOM 0 HB THR A 74 -9.806 4.571 0.746 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.214 3.140 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.417 5.679 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.160 5.909 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.251 4.734 3.721 1.00 0.00 H new ATOM 621 N GLY A 75 -11.963 4.215 -0.017 1.00 0.00 N ATOM 622 CA GLY A 75 -13.017 4.841 -0.795 1.00 0.00 C ATOM 623 C GLY A 75 -12.508 5.966 -1.676 1.00 0.00 C ATOM 624 O GLY A 75 -13.039 6.198 -2.763 1.00 0.00 O ATOM 0 H GLY A 75 -11.130 3.960 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.499 4.087 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.778 5.231 -0.119 1.00 0.00 H new ATOM 628 N SER A 76 -11.480 6.671 -1.210 1.00 0.00 N ATOM 629 CA SER A 76 -10.907 7.779 -1.969 1.00 0.00 C ATOM 630 C SER A 76 -10.448 7.310 -3.353 1.00 0.00 C ATOM 631 O SER A 76 -11.271 7.129 -4.250 1.00 0.00 O ATOM 632 CB SER A 76 -9.749 8.410 -1.195 1.00 0.00 C ATOM 633 OG SER A 76 -9.068 9.369 -1.985 1.00 0.00 O ATOM 0 H SER A 76 -11.028 6.495 -0.313 1.00 0.00 H new ATOM 0 HA SER A 76 -11.678 8.536 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.128 8.884 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.052 7.633 -0.880 1.00 0.00 H new ATOM 0 HG SER A 76 -9.370 10.269 -1.740 1.00 0.00 H new ATOM 639 N ALA A 77 -9.142 7.102 -3.529 1.00 0.00 N ATOM 640 CA ALA A 77 -8.621 6.643 -4.813 1.00 0.00 C ATOM 641 C ALA A 77 -7.433 5.727 -4.589 1.00 0.00 C ATOM 642 O ALA A 77 -6.719 5.885 -3.610 1.00 0.00 O ATOM 643 CB ALA A 77 -8.228 7.826 -5.684 1.00 0.00 C ATOM 0 H ALA A 77 -8.435 7.243 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.402 6.086 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.842 7.464 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.102 8.453 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.458 8.410 -5.179 1.00 0.00 H new ATOM 649 N GLY A 78 -7.223 4.761 -5.476 1.00 0.00 N ATOM 650 CA GLY A 78 -6.104 3.852 -5.298 1.00 0.00 C ATOM 651 C GLY A 78 -5.252 3.681 -6.539 1.00 0.00 C ATOM 652 O GLY A 78 -5.713 3.888 -7.662 1.00 0.00 O ATOM 0 H GLY A 78 -7.796 4.591 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.476 4.218 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.485 2.877 -4.993 1.00 0.00 H new ATOM 656 N ASN A 79 -4.003 3.293 -6.320 1.00 0.00 N ATOM 657 CA ASN A 79 -3.045 3.073 -7.397 1.00 0.00 C ATOM 658 C ASN A 79 -2.377 1.714 -7.211 1.00 0.00 C ATOM 659 O ASN A 79 -1.960 1.370 -6.111 1.00 0.00 O ATOM 660 CB ASN A 79 -1.989 4.179 -7.343 1.00 0.00 C ATOM 661 CG ASN A 79 -2.162 5.198 -8.452 1.00 0.00 C ATOM 662 OD1 ASN A 79 -1.188 5.643 -9.059 1.00 0.00 O ATOM 663 ND2 ASN A 79 -3.407 5.572 -8.724 1.00 0.00 N ATOM 0 H ASN A 79 -3.624 3.121 -5.389 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.552 3.091 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.044 4.683 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.997 3.734 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.585 6.254 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.185 5.177 -8.196 1.00 0.00 H new ATOM 670 N LEU A 80 -2.206 0.975 -8.295 1.00 0.00 N ATOM 671 CA LEU A 80 -1.540 -0.325 -8.233 1.00 0.00 C ATOM 672 C LEU A 80 -0.288 -0.329 -9.105 1.00 0.00 C ATOM 673 O LEU A 80 -0.315 0.118 -10.252 1.00 0.00 O ATOM 674 CB LEU A 80 -2.513 -1.384 -8.746 1.00 0.00 C ATOM 675 CG LEU A 80 -3.058 -1.130 -10.156 1.00 0.00 C ATOM 676 CD1 LEU A 80 -2.230 -1.871 -11.195 1.00 0.00 C ATOM 677 CD2 LEU A 80 -4.522 -1.535 -10.246 1.00 0.00 C ATOM 0 H LEU A 80 -2.516 1.248 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.245 -0.534 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.013 -2.352 -8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.353 -1.451 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.986 -0.062 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.634 -1.677 -12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.197 -1.527 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.265 -2.941 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.890 -1.347 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.621 -2.596 -10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.105 -0.953 -9.532 1.00 0.00 H new ATOM 689 N GLU A 81 0.786 -0.912 -8.585 1.00 0.00 N ATOM 690 CA GLU A 81 2.035 -1.032 -9.327 1.00 0.00 C ATOM 691 C GLU A 81 2.478 -2.482 -9.278 1.00 0.00 C ATOM 692 O GLU A 81 2.429 -3.092 -8.211 1.00 0.00 O ATOM 693 CB GLU A 81 3.084 -0.143 -8.657 1.00 0.00 C ATOM 694 CG GLU A 81 4.093 0.445 -9.629 1.00 0.00 C ATOM 695 CD GLU A 81 3.874 1.926 -9.871 1.00 0.00 C ATOM 696 OE1 GLU A 81 3.651 2.663 -8.888 1.00 0.00 O ATOM 697 OE2 GLU A 81 3.925 2.349 -11.046 1.00 0.00 O ATOM 0 H GLU A 81 0.816 -1.311 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 81 1.907 -0.722 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.579 0.670 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.614 -0.726 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.100 0.289 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.031 -0.088 -10.578 1.00 0.00 H new ATOM 704 N GLY A 82 2.984 -3.023 -10.370 1.00 0.00 N ATOM 705 CA GLY A 82 3.462 -4.402 -10.350 1.00 0.00 C ATOM 706 C GLY A 82 4.549 -4.707 -9.304 1.00 0.00 C ATOM 707 O GLY A 82 5.685 -5.008 -9.674 1.00 0.00 O ATOM 0 H GLY A 82 3.076 -2.545 -11.267 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.613 -5.061 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.852 -4.648 -11.338 1.00 0.00 H new ATOM 711 N GLY A 83 4.204 -4.679 -8.002 1.00 0.00 N ATOM 712 CA GLY A 83 5.191 -5.015 -6.960 1.00 0.00 C ATOM 713 C GLY A 83 5.010 -4.287 -5.635 1.00 0.00 C ATOM 714 O GLY A 83 5.550 -4.675 -4.609 1.00 0.00 O ATOM 0 H GLY A 83 3.277 -4.435 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.149 -6.088 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.188 -4.797 -7.343 1.00 0.00 H new ATOM 718 N ARG A 84 4.275 -3.224 -5.699 1.00 0.00 N ATOM 719 CA ARG A 84 3.976 -2.347 -4.600 1.00 0.00 C ATOM 720 C ARG A 84 2.495 -2.001 -4.694 1.00 0.00 C ATOM 721 O ARG A 84 1.968 -1.727 -5.771 1.00 0.00 O ATOM 722 CB ARG A 84 4.791 -1.066 -4.772 1.00 0.00 C ATOM 723 CG ARG A 84 6.286 -1.307 -4.912 1.00 0.00 C ATOM 724 CD ARG A 84 6.943 -0.236 -5.768 1.00 0.00 C ATOM 725 NE ARG A 84 8.046 -0.770 -6.564 1.00 0.00 N ATOM 726 CZ ARG A 84 8.554 -0.159 -7.631 1.00 0.00 C ATOM 727 NH1 ARG A 84 8.061 1.005 -8.035 1.00 0.00 N ATOM 728 NH2 ARG A 84 9.558 -0.712 -8.297 1.00 0.00 N ATOM 0 H ARG A 84 3.839 -2.922 -6.570 1.00 0.00 H new ATOM 0 HA ARG A 84 4.211 -2.811 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.434 -0.534 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.615 -0.416 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.748 -1.320 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.458 -2.287 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.199 0.205 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.313 0.564 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 84 8.450 -1.664 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.289 1.436 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.454 1.469 -8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.941 -1.606 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.947 -0.243 -9.115 1.00 0.00 H new ATOM 742 N LEU A 85 1.876 -1.883 -3.549 1.00 0.00 N ATOM 743 CA LEU A 85 0.471 -1.473 -3.479 1.00 0.00 C ATOM 744 C LEU A 85 0.477 -0.028 -2.980 1.00 0.00 C ATOM 745 O LEU A 85 1.195 0.306 -2.039 1.00 0.00 O ATOM 746 CB LEU A 85 -0.250 -2.403 -2.483 1.00 0.00 C ATOM 747 CG LEU A 85 -1.225 -1.743 -1.495 1.00 0.00 C ATOM 748 CD1 LEU A 85 -0.465 -1.057 -0.375 1.00 0.00 C ATOM 749 CD2 LEU A 85 -2.151 -0.765 -2.206 1.00 0.00 C ATOM 0 H LEU A 85 2.310 -2.062 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.043 -1.537 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.800 -3.150 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.507 -2.936 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.845 -2.525 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.172 -0.595 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.137 -1.792 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.187 -0.290 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.829 -0.314 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.559 0.015 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.729 -1.296 -2.963 1.00 0.00 H new ATOM 761 N ILE A 86 -0.332 0.818 -3.596 1.00 0.00 N ATOM 762 CA ILE A 86 -0.399 2.225 -3.218 1.00 0.00 C ATOM 763 C ILE A 86 -1.800 2.615 -2.764 1.00 0.00 C ATOM 764 O ILE A 86 -2.793 2.302 -3.432 1.00 0.00 O ATOM 765 CB ILE A 86 -0.010 3.088 -4.441 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.400 2.726 -4.915 1.00 0.00 C ATOM 767 CG2 ILE A 86 -0.103 4.574 -4.128 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.417 1.805 -6.115 1.00 0.00 C ATOM 0 H ILE A 86 -0.953 0.557 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 86 0.288 2.391 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.719 2.876 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.937 3.641 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.939 2.251 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.177 5.150 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.125 4.822 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.572 4.816 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.449 1.591 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.908 0.874 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.906 2.285 -6.950 1.00 0.00 H new ATOM 780 N LEU A 87 -1.866 3.400 -1.694 1.00 0.00 N ATOM 781 CA LEU A 87 -3.132 3.909 -1.196 1.00 0.00 C ATOM 782 C LEU A 87 -3.163 5.415 -1.383 1.00 0.00 C ATOM 783 O LEU A 87 -2.198 6.105 -1.058 1.00 0.00 O ATOM 784 CB LEU A 87 -3.252 3.568 0.291 1.00 0.00 C ATOM 785 CG LEU A 87 -2.221 4.246 1.201 1.00 0.00 C ATOM 786 CD1 LEU A 87 -2.785 5.531 1.788 1.00 0.00 C ATOM 787 CD2 LEU A 87 -1.787 3.301 2.314 1.00 0.00 C ATOM 0 H LEU A 87 -1.052 3.697 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.963 3.459 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.250 3.844 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.162 2.488 0.408 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.348 4.497 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.038 5.996 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.047 6.216 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.676 5.303 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.055 3.799 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.654 3.019 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.340 2.407 1.879 1.00 0.00 H new ATOM 799 N GLN A 88 -4.286 5.933 -1.851 1.00 0.00 N ATOM 800 CA GLN A 88 -4.426 7.368 -2.048 1.00 0.00 C ATOM 801 C GLN A 88 -5.534 7.963 -1.186 1.00 0.00 C ATOM 802 O GLN A 88 -6.726 7.782 -1.463 1.00 0.00 O ATOM 803 CB GLN A 88 -4.685 7.684 -3.523 1.00 0.00 C ATOM 804 CG GLN A 88 -3.890 8.874 -4.038 1.00 0.00 C ATOM 805 CD GLN A 88 -4.775 9.980 -4.581 1.00 0.00 C ATOM 806 OE1 GLN A 88 -4.600 10.433 -5.712 1.00 0.00 O ATOM 807 NE2 GLN A 88 -5.733 10.421 -3.773 1.00 0.00 N ATOM 0 H GLN A 88 -5.110 5.386 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.486 7.826 -1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.440 6.807 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.748 7.879 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.274 9.271 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.211 8.540 -4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.842 10.017 -2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.359 11.164 -4.083 1.00 0.00 H new ATOM 816 N ARG A 89 -5.107 8.684 -0.145 1.00 0.00 N ATOM 817 CA ARG A 89 -6.014 9.358 0.791 1.00 0.00 C ATOM 818 C ARG A 89 -6.450 8.455 1.943 1.00 0.00 C ATOM 819 O ARG A 89 -7.266 8.859 2.771 1.00 0.00 O ATOM 820 CB ARG A 89 -7.246 9.913 0.068 1.00 0.00 C ATOM 821 CG ARG A 89 -7.575 11.350 0.448 1.00 0.00 C ATOM 822 CD ARG A 89 -9.070 11.554 0.637 1.00 0.00 C ATOM 823 NE ARG A 89 -9.624 12.484 -0.345 1.00 0.00 N ATOM 824 CZ ARG A 89 -10.926 12.724 -0.485 1.00 0.00 C ATOM 825 NH1 ARG A 89 -11.809 12.104 0.287 1.00 0.00 N ATOM 826 NH2 ARG A 89 -11.346 13.587 -1.401 1.00 0.00 N ATOM 0 H ARG A 89 -4.120 8.817 0.074 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.448 10.185 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.082 9.858 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.105 9.280 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.053 11.612 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.211 12.024 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.580 10.594 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.260 11.932 1.642 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.976 12.978 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.492 11.439 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.805 12.292 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.671 14.066 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.343 13.771 -1.509 1.00 0.00 H new ATOM 840 N ARG A 90 -5.904 7.244 2.016 1.00 0.00 N ATOM 841 CA ARG A 90 -6.255 6.333 3.099 1.00 0.00 C ATOM 842 C ARG A 90 -5.454 6.676 4.352 1.00 0.00 C ATOM 843 O ARG A 90 -4.224 6.685 4.325 1.00 0.00 O ATOM 844 CB ARG A 90 -6.013 4.877 2.692 1.00 0.00 C ATOM 845 CG ARG A 90 -6.359 3.877 3.785 1.00 0.00 C ATOM 846 CD ARG A 90 -5.193 2.946 4.084 1.00 0.00 C ATOM 847 NE ARG A 90 -5.630 1.566 4.277 1.00 0.00 N ATOM 848 CZ ARG A 90 -6.318 1.148 5.337 1.00 0.00 C ATOM 849 NH1 ARG A 90 -6.652 2.001 6.299 1.00 0.00 N ATOM 850 NH2 ARG A 90 -6.673 -0.126 5.438 1.00 0.00 N ATOM 0 H ARG A 90 -5.227 6.876 1.348 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.317 6.450 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.605 4.653 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.966 4.754 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.640 4.412 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.225 3.290 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.476 2.988 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.674 3.290 4.979 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.394 0.883 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.381 2.982 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.179 1.675 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.419 -0.786 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.200 -0.446 6.251 1.00 0.00 H new TER 864 ARG A 90