USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 407 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 :FLIP amide:sc= -0.0743 F(o=-0.79,f=-0.074) USER MOD Single : A 47 THR OG1 : rot 143:sc= -4.37! USER MOD Single : A 51 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.7) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.0072) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 38:sc= 0.67 USER MOD Single : A 76 SER OG : rot 37:sc= 1.21 USER MOD Single : A 79 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.9!) USER MOD Single : A 88 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 3.779 1.766 5.065 1.00 0.00 N ATOM 17 CA ILE A 40 2.968 2.816 4.457 1.00 0.00 C ATOM 18 C ILE A 40 3.656 4.168 4.610 1.00 0.00 C ATOM 19 O ILE A 40 4.090 4.531 5.704 1.00 0.00 O ATOM 20 CB ILE A 40 1.584 2.883 5.133 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.733 3.155 6.634 1.00 0.00 C ATOM 22 CG2 ILE A 40 0.813 1.591 4.894 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.180 4.497 7.063 1.00 0.00 C ATOM 0 HA ILE A 40 2.847 2.583 3.399 1.00 0.00 H new ATOM 0 HB ILE A 40 1.021 3.705 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.225 2.367 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.788 3.104 6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.162 1.654 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.678 1.441 3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.371 0.752 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.320 4.622 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.705 5.293 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.117 4.545 6.827 1.00 0.00 H new ATOM 35 N LEU A 41 3.716 4.935 3.525 1.00 0.00 N ATOM 36 CA LEU A 41 4.338 6.257 3.567 1.00 0.00 C ATOM 37 C LEU A 41 3.411 7.284 2.943 1.00 0.00 C ATOM 38 O LEU A 41 2.895 7.063 1.849 1.00 0.00 O ATOM 39 CB LEU A 41 5.652 6.230 2.783 1.00 0.00 C ATOM 40 CG LEU A 41 6.910 6.479 3.616 1.00 0.00 C ATOM 41 CD1 LEU A 41 6.844 7.842 4.287 1.00 0.00 C ATOM 42 CD2 LEU A 41 7.088 5.379 4.652 1.00 0.00 C ATOM 0 H LEU A 41 3.345 4.668 2.613 1.00 0.00 H new ATOM 0 HA LEU A 41 4.532 6.525 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.745 5.260 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.602 6.981 1.995 1.00 0.00 H new ATOM 0 HG LEU A 41 7.773 6.467 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.747 8.002 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.764 8.619 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.973 7.884 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.988 5.572 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.223 5.360 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.181 4.417 4.149 1.00 0.00 H new ATOM 54 N ILE A 42 3.231 8.425 3.597 1.00 0.00 N ATOM 55 CA ILE A 42 2.374 9.453 3.027 1.00 0.00 C ATOM 56 C ILE A 42 3.137 10.749 2.766 1.00 0.00 C ATOM 57 O ILE A 42 3.815 11.284 3.644 1.00 0.00 O ATOM 58 CB ILE A 42 1.171 9.749 3.963 1.00 0.00 C ATOM 59 CG1 ILE A 42 1.576 10.659 5.131 1.00 0.00 C ATOM 60 CG2 ILE A 42 0.566 8.454 4.492 1.00 0.00 C ATOM 61 CD1 ILE A 42 2.637 10.060 6.029 1.00 0.00 C ATOM 0 H ILE A 42 3.653 8.657 4.496 1.00 0.00 H new ATOM 0 HA ILE A 42 2.011 9.068 2.074 1.00 0.00 H new ATOM 0 HB ILE A 42 0.420 10.273 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.942 11.606 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.692 10.884 5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.275 8.686 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.219 7.846 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.320 7.903 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.872 10.760 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.268 9.128 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.536 9.860 5.446 1.00 0.00 H new ATOM 73 N GLU A 43 2.968 11.264 1.556 1.00 0.00 N ATOM 74 CA GLU A 43 3.591 12.512 1.139 1.00 0.00 C ATOM 75 C GLU A 43 2.536 13.337 0.417 1.00 0.00 C ATOM 76 O GLU A 43 1.823 12.806 -0.428 1.00 0.00 O ATOM 77 CB GLU A 43 4.726 12.207 0.161 1.00 0.00 C ATOM 78 CG GLU A 43 5.933 11.553 0.816 1.00 0.00 C ATOM 79 CD GLU A 43 6.573 12.434 1.871 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.711 13.651 1.624 1.00 0.00 O ATOM 81 OE2 GLU A 43 6.934 11.908 2.944 1.00 0.00 O ATOM 0 H GLU A 43 2.394 10.827 0.835 1.00 0.00 H new ATOM 0 HA GLU A 43 3.986 13.048 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.351 11.553 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.041 13.134 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.629 10.610 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.672 11.314 0.051 1.00 0.00 H new ATOM 88 N GLY A 44 2.465 14.631 0.686 1.00 0.00 N ATOM 89 CA GLY A 44 1.488 15.459 -0.005 1.00 0.00 C ATOM 90 C GLY A 44 0.064 14.925 0.129 1.00 0.00 C ATOM 91 O GLY A 44 -0.647 15.281 1.069 1.00 0.00 O ATOM 0 H GLY A 44 3.054 15.121 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.531 16.473 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.751 15.520 -1.061 1.00 0.00 H new ATOM 95 N ASN A 45 -0.357 14.075 -0.815 1.00 0.00 N ATOM 96 CA ASN A 45 -1.712 13.508 -0.786 1.00 0.00 C ATOM 97 C ASN A 45 -1.755 12.043 -1.257 1.00 0.00 C ATOM 98 O ASN A 45 -2.803 11.399 -1.194 1.00 0.00 O ATOM 99 CB ASN A 45 -2.648 14.353 -1.651 1.00 0.00 C ATOM 100 CG ASN A 45 -2.161 14.477 -3.081 1.00 0.00 C ATOM 101 OD1 ASN A 45 -2.332 13.414 -3.858 1.00 0.00 O flip ATOM 102 ND2 ASN A 45 -1.639 15.516 -3.483 1.00 0.00 N flip ATOM 0 H ASN A 45 0.214 13.766 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.041 13.523 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.643 13.908 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.742 15.347 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.528 16.309 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.318 15.585 -4.449 1.00 0.00 H new ATOM 109 N ARG A 46 -0.621 11.520 -1.719 1.00 0.00 N ATOM 110 CA ARG A 46 -0.533 10.139 -2.188 1.00 0.00 C ATOM 111 C ARG A 46 0.355 9.319 -1.250 1.00 0.00 C ATOM 112 O ARG A 46 1.443 9.759 -0.867 1.00 0.00 O ATOM 113 CB ARG A 46 0.075 10.143 -3.592 1.00 0.00 C ATOM 114 CG ARG A 46 1.400 10.880 -3.679 1.00 0.00 C ATOM 115 CD ARG A 46 1.998 10.792 -5.073 1.00 0.00 C ATOM 116 NE ARG A 46 3.210 11.598 -5.203 1.00 0.00 N ATOM 117 CZ ARG A 46 4.055 11.506 -6.226 1.00 0.00 C ATOM 118 NH1 ARG A 46 3.824 10.648 -7.212 1.00 0.00 N ATOM 119 NH2 ARG A 46 5.136 12.275 -6.265 1.00 0.00 N ATOM 0 H ARG A 46 0.256 12.037 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.527 9.693 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.219 9.113 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.632 10.601 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.253 11.926 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.099 10.460 -2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.228 9.752 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.262 11.125 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 46 3.420 12.271 -4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.995 10.055 -7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.476 10.582 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.319 12.937 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.784 12.204 -7.050 1.00 0.00 H new ATOM 133 N THR A 47 -0.070 8.093 -0.949 1.00 0.00 N ATOM 134 CA THR A 47 0.711 7.197 -0.102 1.00 0.00 C ATOM 135 C THR A 47 1.022 5.912 -0.858 1.00 0.00 C ATOM 136 O THR A 47 0.147 5.328 -1.480 1.00 0.00 O ATOM 137 CB THR A 47 -0.108 6.875 1.147 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.302 8.036 1.931 1.00 0.00 O ATOM 139 CG2 THR A 47 0.515 5.817 2.037 1.00 0.00 C ATOM 0 H THR A 47 -0.951 7.699 -1.280 1.00 0.00 H new ATOM 0 HA THR A 47 1.650 7.674 0.179 1.00 0.00 H new ATOM 0 HB THR A 47 -1.053 6.485 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.200 8.020 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.126 5.645 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.625 4.889 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.495 6.156 2.374 1.00 0.00 H new ATOM 147 N ILE A 48 2.245 5.433 -0.722 1.00 0.00 N ATOM 148 CA ILE A 48 2.663 4.179 -1.352 1.00 0.00 C ATOM 149 C ILE A 48 2.892 3.103 -0.293 1.00 0.00 C ATOM 150 O ILE A 48 3.546 3.358 0.723 1.00 0.00 O ATOM 151 CB ILE A 48 3.979 4.408 -2.124 1.00 0.00 C ATOM 152 CG1 ILE A 48 4.406 3.125 -2.841 1.00 0.00 C ATOM 153 CG2 ILE A 48 5.078 4.892 -1.185 1.00 0.00 C ATOM 154 CD1 ILE A 48 5.018 3.367 -4.204 1.00 0.00 C ATOM 0 H ILE A 48 2.976 5.892 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 48 1.878 3.851 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 48 3.809 5.182 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.125 2.593 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.538 2.475 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.997 5.047 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.774 5.831 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.250 4.145 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.296 2.413 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.294 3.871 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.905 3.991 -4.099 1.00 0.00 H new ATOM 166 N ILE A 49 2.440 1.872 -0.562 1.00 0.00 N ATOM 167 CA ILE A 49 2.666 0.781 0.371 1.00 0.00 C ATOM 168 C ILE A 49 3.474 -0.335 -0.263 1.00 0.00 C ATOM 169 O ILE A 49 3.156 -0.831 -1.348 1.00 0.00 O ATOM 170 CB ILE A 49 1.353 0.205 0.918 1.00 0.00 C ATOM 171 CG1 ILE A 49 0.510 1.320 1.530 1.00 0.00 C ATOM 172 CG2 ILE A 49 1.631 -0.885 1.948 1.00 0.00 C ATOM 173 CD1 ILE A 49 -0.806 0.840 2.100 1.00 0.00 C ATOM 0 H ILE A 49 1.925 1.617 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 49 3.230 1.206 1.201 1.00 0.00 H new ATOM 0 HB ILE A 49 0.797 -0.243 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.083 1.806 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.313 2.075 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.687 -1.280 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.201 -1.689 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.204 -0.466 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.352 1.686 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.399 0.380 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.617 0.107 2.884 1.00 0.00 H new ATOM 185 N ARG A 50 4.522 -0.719 0.443 1.00 0.00 N ATOM 186 CA ARG A 50 5.411 -1.776 -0.006 1.00 0.00 C ATOM 187 C ARG A 50 4.859 -3.137 0.388 1.00 0.00 C ATOM 188 O ARG A 50 5.522 -3.917 1.072 1.00 0.00 O ATOM 189 CB ARG A 50 6.809 -1.582 0.586 1.00 0.00 C ATOM 190 CG ARG A 50 7.577 -0.426 -0.036 1.00 0.00 C ATOM 191 CD ARG A 50 9.041 -0.774 -0.241 1.00 0.00 C ATOM 192 NE ARG A 50 9.672 0.082 -1.243 1.00 0.00 N ATOM 193 CZ ARG A 50 10.088 1.324 -1.001 1.00 0.00 C ATOM 194 NH1 ARG A 50 9.945 1.855 0.207 1.00 0.00 N ATOM 195 NH2 ARG A 50 10.652 2.035 -1.969 1.00 0.00 N ATOM 0 H ARG A 50 4.781 -0.309 1.340 1.00 0.00 H new ATOM 0 HA ARG A 50 5.481 -1.730 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.720 -1.413 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.381 -2.500 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.127 -0.163 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.497 0.452 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.573 -0.677 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.126 -1.816 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 50 9.801 -0.293 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.515 1.312 0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.265 2.807 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.767 1.630 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.971 2.986 -1.784 1.00 0.00 H new ATOM 209 N ASN A 51 3.639 -3.421 -0.056 1.00 0.00 N ATOM 210 CA ASN A 51 2.999 -4.693 0.244 1.00 0.00 C ATOM 211 C ASN A 51 3.422 -5.762 -0.754 1.00 0.00 C ATOM 212 O ASN A 51 2.752 -6.781 -0.915 1.00 0.00 O ATOM 213 CB ASN A 51 1.477 -4.538 0.240 1.00 0.00 C ATOM 214 CG ASN A 51 0.779 -5.657 0.987 1.00 0.00 C ATOM 215 OD1 ASN A 51 0.190 -6.550 0.380 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.840 -5.610 2.313 1.00 0.00 N ATOM 0 H ASN A 51 3.076 -2.788 -0.624 1.00 0.00 H new ATOM 0 HA ASN A 51 3.318 -5.007 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.211 -3.582 0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.120 -4.514 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.387 -6.334 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.340 -4.850 2.774 1.00 0.00 H new ATOM 223 N PHE A 52 4.524 -5.502 -1.445 1.00 0.00 N ATOM 224 CA PHE A 52 5.028 -6.413 -2.463 1.00 0.00 C ATOM 225 C PHE A 52 5.006 -7.890 -2.075 1.00 0.00 C ATOM 226 O PHE A 52 4.646 -8.706 -2.914 1.00 0.00 O ATOM 227 CB PHE A 52 6.423 -6.043 -2.965 1.00 0.00 C ATOM 228 CG PHE A 52 6.742 -6.707 -4.287 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.744 -7.348 -5.017 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.030 -6.697 -4.800 1.00 0.00 C ATOM 231 CE1 PHE A 52 6.017 -7.959 -6.220 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.312 -7.310 -6.010 1.00 0.00 C ATOM 233 CZ PHE A 52 7.305 -7.942 -6.721 1.00 0.00 C ATOM 0 H PHE A 52 5.089 -4.662 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 52 4.311 -6.284 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.494 -4.961 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.165 -6.336 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.735 -7.366 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.821 -6.207 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.228 -8.450 -6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.319 -7.295 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.526 -8.420 -7.664 1.00 0.00 H new ATOM 243 N ARG A 53 5.389 -8.289 -0.875 1.00 0.00 N ATOM 244 CA ARG A 53 5.368 -9.730 -0.557 1.00 0.00 C ATOM 245 C ARG A 53 3.967 -10.357 -0.779 1.00 0.00 C ATOM 246 O ARG A 53 3.717 -11.050 -1.784 1.00 0.00 O ATOM 247 CB ARG A 53 5.827 -9.964 0.885 1.00 0.00 C ATOM 248 CG ARG A 53 6.752 -11.161 1.039 1.00 0.00 C ATOM 249 CD ARG A 53 7.460 -11.151 2.383 1.00 0.00 C ATOM 250 NE ARG A 53 8.556 -10.183 2.420 1.00 0.00 N ATOM 251 CZ ARG A 53 8.431 -8.928 2.849 1.00 0.00 C ATOM 252 NH1 ARG A 53 7.256 -8.471 3.265 1.00 0.00 N ATOM 253 NH2 ARG A 53 9.486 -8.124 2.857 1.00 0.00 N ATOM 0 H ARG A 53 5.708 -7.676 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 53 6.059 -10.222 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.338 -9.071 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.951 -10.107 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.177 -12.081 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.491 -11.156 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.742 -10.915 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.849 -12.147 2.595 1.00 0.00 H new ATOM 0 HE ARG A 53 9.474 -10.488 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.439 -9.082 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.170 -7.509 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.391 -8.467 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.392 -7.163 3.185 1.00 0.00 H new ATOM 267 N GLU A 54 3.053 -10.092 0.158 1.00 0.00 N ATOM 268 CA GLU A 54 1.689 -10.610 0.071 1.00 0.00 C ATOM 269 C GLU A 54 1.096 -10.266 -1.284 1.00 0.00 C ATOM 270 O GLU A 54 0.559 -11.123 -1.987 1.00 0.00 O ATOM 271 CB GLU A 54 0.821 -10.025 1.187 1.00 0.00 C ATOM 272 CG GLU A 54 1.326 -10.349 2.584 1.00 0.00 C ATOM 273 CD GLU A 54 0.229 -10.867 3.495 1.00 0.00 C ATOM 274 OE1 GLU A 54 -0.730 -11.480 2.981 1.00 0.00 O ATOM 275 OE2 GLU A 54 0.329 -10.661 4.722 1.00 0.00 O ATOM 0 H GLU A 54 3.234 -9.522 0.984 1.00 0.00 H new ATOM 0 HA GLU A 54 1.717 -11.693 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.773 -8.942 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.196 -10.403 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.119 -11.094 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.766 -9.454 3.024 1.00 0.00 H new ATOM 282 N LEU A 55 1.228 -9.000 -1.644 1.00 0.00 N ATOM 283 CA LEU A 55 0.746 -8.492 -2.917 1.00 0.00 C ATOM 284 C LEU A 55 1.214 -9.377 -4.069 1.00 0.00 C ATOM 285 O LEU A 55 0.443 -9.706 -4.960 1.00 0.00 O ATOM 286 CB LEU A 55 1.214 -7.055 -3.130 1.00 0.00 C ATOM 287 CG LEU A 55 0.560 -6.339 -4.309 1.00 0.00 C ATOM 288 CD1 LEU A 55 0.734 -4.832 -4.188 1.00 0.00 C ATOM 289 CD2 LEU A 55 1.140 -6.843 -5.619 1.00 0.00 C ATOM 0 H LEU A 55 1.674 -8.293 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.344 -8.506 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.017 -6.485 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.294 -7.057 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.508 -6.558 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.260 -4.342 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.270 -4.485 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.796 -4.588 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.664 -6.324 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.213 -6.653 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.959 -7.914 -5.709 1.00 0.00 H new ATOM 301 N ALA A 56 2.492 -9.730 -4.057 1.00 0.00 N ATOM 302 CA ALA A 56 3.099 -10.546 -5.099 1.00 0.00 C ATOM 303 C ALA A 56 2.228 -11.744 -5.369 1.00 0.00 C ATOM 304 O ALA A 56 1.821 -11.987 -6.510 1.00 0.00 O ATOM 305 CB ALA A 56 4.499 -10.985 -4.693 1.00 0.00 C ATOM 0 H ALA A 56 3.141 -9.456 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 56 3.185 -9.952 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.934 -11.593 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.122 -10.106 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.445 -11.570 -3.775 1.00 0.00 H new ATOM 311 N LYS A 57 1.878 -12.463 -4.309 1.00 0.00 N ATOM 312 CA LYS A 57 0.969 -13.595 -4.479 1.00 0.00 C ATOM 313 C LYS A 57 -0.236 -13.088 -5.277 1.00 0.00 C ATOM 314 O LYS A 57 -0.660 -13.661 -6.297 1.00 0.00 O ATOM 315 CB LYS A 57 0.525 -14.150 -3.124 1.00 0.00 C ATOM 316 CG LYS A 57 1.269 -15.409 -2.708 1.00 0.00 C ATOM 317 CD LYS A 57 2.320 -15.115 -1.649 1.00 0.00 C ATOM 318 CE LYS A 57 1.713 -15.075 -0.256 1.00 0.00 C ATOM 319 NZ LYS A 57 2.655 -14.502 0.745 1.00 0.00 N ATOM 0 H LYS A 57 2.195 -12.294 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 57 1.468 -14.409 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.670 -13.384 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.543 -14.365 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.559 -16.141 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.746 -15.855 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.098 -15.877 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.799 -14.160 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.799 -14.481 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.432 -16.084 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.203 -14.493 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.517 -15.083 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.904 -13.530 0.471 1.00 0.00 H new ATOM 333 N ALA A 58 -0.748 -11.959 -4.807 1.00 0.00 N ATOM 334 CA ALA A 58 -1.863 -11.288 -5.440 1.00 0.00 C ATOM 335 C ALA A 58 -1.621 -11.085 -6.935 1.00 0.00 C ATOM 336 O ALA A 58 -2.509 -11.362 -7.741 1.00 0.00 O ATOM 337 CB ALA A 58 -2.142 -9.958 -4.757 1.00 0.00 C ATOM 0 H ALA A 58 -0.398 -11.486 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.739 -11.927 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.983 -9.467 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.383 -10.131 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.260 -9.321 -4.827 1.00 0.00 H new ATOM 343 N VAL A 59 -0.447 -10.571 -7.330 1.00 0.00 N ATOM 344 CA VAL A 59 -0.198 -10.330 -8.751 1.00 0.00 C ATOM 345 C VAL A 59 -0.543 -11.544 -9.571 1.00 0.00 C ATOM 346 O VAL A 59 -1.295 -11.397 -10.534 1.00 0.00 O ATOM 347 CB VAL A 59 1.207 -9.788 -9.128 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.046 -9.458 -7.908 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.958 -10.743 -10.049 1.00 0.00 C ATOM 0 H VAL A 59 0.320 -10.322 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.868 -9.505 -8.995 1.00 0.00 H new ATOM 0 HB VAL A 59 1.035 -8.859 -9.671 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.019 -9.083 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.540 -8.697 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.183 -10.357 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.936 -10.325 -10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.086 -11.704 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.390 -10.884 -10.968 1.00 0.00 H new ATOM 359 N ASN A 60 -0.061 -12.716 -9.167 1.00 0.00 N ATOM 360 CA ASN A 60 -0.405 -13.938 -9.875 1.00 0.00 C ATOM 361 C ASN A 60 -1.919 -13.982 -10.053 1.00 0.00 C ATOM 362 O ASN A 60 -2.429 -14.443 -11.074 1.00 0.00 O ATOM 363 CB ASN A 60 0.074 -15.167 -9.099 1.00 0.00 C ATOM 364 CG ASN A 60 1.583 -15.208 -8.952 1.00 0.00 C ATOM 365 OD1 ASN A 60 2.283 -15.791 -9.779 1.00 0.00 O ATOM 366 ND2 ASN A 60 2.091 -14.588 -7.892 1.00 0.00 N ATOM 0 H ASN A 60 0.558 -12.842 -8.366 1.00 0.00 H new ATOM 0 HA ASN A 60 0.086 -13.948 -10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.385 -15.170 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.263 -16.069 -9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.099 -14.583 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.472 -14.117 -7.232 1.00 0.00 H new ATOM 373 N ARG A 61 -2.631 -13.465 -9.046 1.00 0.00 N ATOM 374 CA ARG A 61 -4.096 -13.407 -9.084 1.00 0.00 C ATOM 375 C ARG A 61 -4.604 -11.980 -9.380 1.00 0.00 C ATOM 376 O ARG A 61 -5.723 -11.626 -9.008 1.00 0.00 O ATOM 377 CB ARG A 61 -4.672 -13.903 -7.756 1.00 0.00 C ATOM 378 CG ARG A 61 -5.592 -15.103 -7.903 1.00 0.00 C ATOM 379 CD ARG A 61 -5.481 -16.039 -6.711 1.00 0.00 C ATOM 380 NE ARG A 61 -6.212 -17.287 -6.924 1.00 0.00 N ATOM 381 CZ ARG A 61 -5.833 -18.231 -7.781 1.00 0.00 C ATOM 382 NH1 ARG A 61 -4.733 -18.074 -8.509 1.00 0.00 N ATOM 383 NH2 ARG A 61 -6.556 -19.334 -7.913 1.00 0.00 N ATOM 0 H ARG A 61 -2.217 -13.081 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.434 -14.054 -9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.851 -14.165 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.222 -13.090 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.622 -14.762 -8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.343 -15.644 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.431 -16.262 -6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.866 -15.540 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.063 -17.443 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.174 -17.226 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.447 -18.801 -9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.402 -19.458 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.266 -20.058 -8.570 1.00 0.00 H new ATOM 397 N ASP A 62 -3.755 -11.165 -10.023 1.00 0.00 N ATOM 398 CA ASP A 62 -4.067 -9.763 -10.359 1.00 0.00 C ATOM 399 C ASP A 62 -3.708 -8.822 -9.220 1.00 0.00 C ATOM 400 O ASP A 62 -4.564 -8.382 -8.453 1.00 0.00 O ATOM 401 CB ASP A 62 -5.533 -9.577 -10.757 1.00 0.00 C ATOM 402 CG ASP A 62 -5.684 -8.967 -12.138 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.528 -7.734 -12.263 1.00 0.00 O ATOM 404 OD2 ASP A 62 -5.959 -9.722 -13.094 1.00 0.00 O ATOM 0 H ASP A 62 -2.827 -11.459 -10.327 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.452 -9.510 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.039 -10.542 -10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.027 -8.939 -10.025 1.00 0.00 H new ATOM 409 N GLU A 63 -2.424 -8.492 -9.159 1.00 0.00 N ATOM 410 CA GLU A 63 -1.904 -7.562 -8.159 1.00 0.00 C ATOM 411 C GLU A 63 -2.714 -6.309 -8.257 1.00 0.00 C ATOM 412 O GLU A 63 -3.141 -5.716 -7.264 1.00 0.00 O ATOM 413 CB GLU A 63 -0.432 -7.205 -8.406 1.00 0.00 C ATOM 414 CG GLU A 63 -0.141 -6.514 -9.741 1.00 0.00 C ATOM 415 CD GLU A 63 -0.410 -7.388 -10.955 1.00 0.00 C ATOM 416 OE1 GLU A 63 -1.591 -7.535 -11.333 1.00 0.00 O ATOM 417 OE2 GLU A 63 0.562 -7.915 -11.535 1.00 0.00 O ATOM 0 H GLU A 63 -1.716 -8.858 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.970 -8.030 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.092 -6.557 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.160 -8.118 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.748 -5.612 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.902 -6.198 -9.756 1.00 0.00 H new ATOM 424 N GLU A 64 -2.920 -5.935 -9.508 1.00 0.00 N ATOM 425 CA GLU A 64 -3.683 -4.741 -9.828 1.00 0.00 C ATOM 426 C GLU A 64 -4.965 -4.707 -9.006 1.00 0.00 C ATOM 427 O GLU A 64 -5.290 -3.712 -8.341 1.00 0.00 O ATOM 428 CB GLU A 64 -4.015 -4.697 -11.322 1.00 0.00 C ATOM 429 CG GLU A 64 -2.843 -4.277 -12.194 1.00 0.00 C ATOM 430 CD GLU A 64 -3.213 -4.185 -13.661 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.235 -4.787 -14.055 1.00 0.00 O ATOM 432 OE2 GLU A 64 -2.482 -3.511 -14.417 1.00 0.00 O ATOM 0 H GLU A 64 -2.569 -6.442 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.079 -3.867 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.358 -5.682 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.842 -4.005 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.471 -3.310 -11.855 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.029 -4.992 -12.072 1.00 0.00 H new ATOM 439 N PHE A 65 -5.673 -5.822 -9.048 1.00 0.00 N ATOM 440 CA PHE A 65 -6.911 -5.975 -8.316 1.00 0.00 C ATOM 441 C PHE A 65 -6.717 -5.689 -6.833 1.00 0.00 C ATOM 442 O PHE A 65 -7.509 -4.954 -6.234 1.00 0.00 O ATOM 443 CB PHE A 65 -7.479 -7.381 -8.510 1.00 0.00 C ATOM 444 CG PHE A 65 -8.947 -7.480 -8.206 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.877 -6.834 -9.006 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.398 -8.216 -7.122 1.00 0.00 C ATOM 447 CE1 PHE A 65 -11.229 -6.921 -8.730 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.748 -8.307 -6.840 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.665 -7.659 -7.646 1.00 0.00 C ATOM 0 H PHE A 65 -5.404 -6.643 -9.590 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.621 -5.249 -8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.307 -7.695 -9.539 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.935 -8.076 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.542 -6.256 -9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.686 -8.725 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.943 -6.413 -9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.086 -8.883 -5.991 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.721 -7.729 -7.429 1.00 0.00 H new ATOM 459 N PHE A 66 -5.693 -6.289 -6.212 1.00 0.00 N ATOM 460 CA PHE A 66 -5.518 -6.066 -4.789 1.00 0.00 C ATOM 461 C PHE A 66 -5.434 -4.582 -4.411 1.00 0.00 C ATOM 462 O PHE A 66 -6.274 -4.110 -3.647 1.00 0.00 O ATOM 463 CB PHE A 66 -4.336 -6.752 -4.118 1.00 0.00 C ATOM 464 CG PHE A 66 -4.293 -6.119 -2.776 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.392 -6.249 -1.945 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.288 -5.239 -2.434 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.498 -5.508 -0.804 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.369 -4.523 -1.262 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.488 -4.650 -0.460 1.00 0.00 C ATOM 0 H PHE A 66 -5.008 -6.902 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.429 -6.532 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.482 -7.830 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.410 -6.590 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.176 -6.946 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.437 -5.112 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.373 -5.598 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.563 -3.866 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.566 -4.067 0.446 1.00 0.00 H new ATOM 479 N ALA A 67 -4.412 -3.837 -4.877 1.00 0.00 N ATOM 480 CA ALA A 67 -4.307 -2.441 -4.486 1.00 0.00 C ATOM 481 C ALA A 67 -5.692 -1.824 -4.507 1.00 0.00 C ATOM 482 O ALA A 67 -6.095 -1.158 -3.553 1.00 0.00 O ATOM 483 CB ALA A 67 -3.366 -1.688 -5.407 1.00 0.00 C ATOM 0 H ALA A 67 -3.679 -4.173 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.894 -2.376 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.305 -0.646 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.375 -2.139 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.741 -1.737 -6.429 1.00 0.00 H new ATOM 489 N LYS A 68 -6.438 -2.094 -5.579 1.00 0.00 N ATOM 490 CA LYS A 68 -7.808 -1.607 -5.678 1.00 0.00 C ATOM 491 C LYS A 68 -8.503 -1.804 -4.327 1.00 0.00 C ATOM 492 O LYS A 68 -9.132 -0.890 -3.807 1.00 0.00 O ATOM 493 CB LYS A 68 -8.567 -2.348 -6.780 1.00 0.00 C ATOM 494 CG LYS A 68 -9.657 -1.514 -7.433 1.00 0.00 C ATOM 495 CD LYS A 68 -9.094 -0.619 -8.529 1.00 0.00 C ATOM 496 CE LYS A 68 -9.616 -1.016 -9.901 1.00 0.00 C ATOM 497 NZ LYS A 68 -8.872 -2.177 -10.463 1.00 0.00 N ATOM 0 H LYS A 68 -6.119 -2.640 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.797 -0.548 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.859 -2.669 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.013 -3.249 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.417 -2.172 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.149 -0.901 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.360 0.418 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.006 -0.676 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.675 -1.264 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.533 -0.168 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.258 -2.417 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.865 -1.932 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.972 -2.994 -9.828 1.00 0.00 H new ATOM 511 N TYR A 69 -8.352 -2.997 -3.756 1.00 0.00 N ATOM 512 CA TYR A 69 -8.917 -3.351 -2.446 1.00 0.00 C ATOM 513 C TYR A 69 -8.522 -2.343 -1.383 1.00 0.00 C ATOM 514 O TYR A 69 -9.367 -1.624 -0.853 1.00 0.00 O ATOM 515 CB TYR A 69 -8.444 -4.742 -1.997 1.00 0.00 C ATOM 516 CG TYR A 69 -9.372 -5.858 -2.420 1.00 0.00 C ATOM 517 CD1 TYR A 69 -10.743 -5.757 -2.217 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.884 -7.012 -3.021 1.00 0.00 C ATOM 519 CE1 TYR A 69 -11.600 -6.771 -2.599 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.734 -8.032 -3.406 1.00 0.00 C ATOM 521 CZ TYR A 69 -11.091 -7.906 -3.193 1.00 0.00 C ATOM 522 OH TYR A 69 -11.941 -8.918 -3.575 1.00 0.00 O ATOM 0 H TYR A 69 -7.829 -3.757 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.001 -3.351 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.452 -4.930 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.348 -4.752 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.146 -4.869 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.822 -7.114 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.663 -6.675 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.338 -8.923 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.423 -9.645 -3.979 1.00 0.00 H new ATOM 532 N LEU A 70 -7.230 -2.297 -1.070 1.00 0.00 N ATOM 533 CA LEU A 70 -6.734 -1.364 -0.060 1.00 0.00 C ATOM 534 C LEU A 70 -7.362 0.004 -0.275 1.00 0.00 C ATOM 535 O LEU A 70 -7.892 0.620 0.650 1.00 0.00 O ATOM 536 CB LEU A 70 -5.210 -1.265 -0.094 1.00 0.00 C ATOM 537 CG LEU A 70 -4.557 -1.081 1.280 1.00 0.00 C ATOM 538 CD1 LEU A 70 -3.498 -2.145 1.523 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.961 0.314 1.406 1.00 0.00 C ATOM 0 H LEU A 70 -6.514 -2.887 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.016 -1.739 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.810 -2.168 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.927 -0.428 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.328 -1.194 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.049 -1.994 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.958 -3.132 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.727 -2.073 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.502 0.426 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.205 0.458 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.748 1.058 1.287 1.00 0.00 H new ATOM 551 N LEU A 71 -7.327 0.448 -1.524 1.00 0.00 N ATOM 552 CA LEU A 71 -7.918 1.716 -1.910 1.00 0.00 C ATOM 553 C LEU A 71 -9.380 1.728 -1.499 1.00 0.00 C ATOM 554 O LEU A 71 -9.853 2.669 -0.863 1.00 0.00 O ATOM 555 CB LEU A 71 -7.783 1.929 -3.424 1.00 0.00 C ATOM 556 CG LEU A 71 -8.652 3.043 -4.021 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.095 2.583 -4.171 1.00 0.00 C ATOM 558 CD2 LEU A 71 -8.574 4.303 -3.171 1.00 0.00 C ATOM 0 H LEU A 71 -6.890 -0.060 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.395 2.529 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.739 2.148 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.028 0.994 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.266 3.277 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.692 3.390 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.134 1.716 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.494 2.313 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.198 5.080 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.927 4.084 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.541 4.649 -3.127 1.00 0.00 H new ATOM 570 N LYS A 72 -10.089 0.653 -1.850 1.00 0.00 N ATOM 571 CA LYS A 72 -11.495 0.523 -1.495 1.00 0.00 C ATOM 572 C LYS A 72 -11.673 0.830 -0.018 1.00 0.00 C ATOM 573 O LYS A 72 -12.556 1.595 0.374 1.00 0.00 O ATOM 574 CB LYS A 72 -12.016 -0.880 -1.811 1.00 0.00 C ATOM 575 CG LYS A 72 -11.907 -1.253 -3.281 1.00 0.00 C ATOM 576 CD LYS A 72 -13.276 -1.361 -3.935 1.00 0.00 C ATOM 577 CE LYS A 72 -13.997 -0.023 -3.940 1.00 0.00 C ATOM 578 NZ LYS A 72 -15.473 -0.187 -4.050 1.00 0.00 N ATOM 0 H LYS A 72 -9.711 -0.134 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.072 1.233 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.461 -1.607 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.060 -0.949 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.312 -0.504 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.381 -2.203 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.164 -1.719 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.878 -2.098 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.759 0.521 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.636 0.581 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.927 0.749 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.702 -0.683 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.822 -0.741 -3.242 1.00 0.00 H new ATOM 592 N GLU A 73 -10.817 0.223 0.796 1.00 0.00 N ATOM 593 CA GLU A 73 -10.858 0.422 2.242 1.00 0.00 C ATOM 594 C GLU A 73 -10.880 1.910 2.600 1.00 0.00 C ATOM 595 O GLU A 73 -11.706 2.351 3.399 1.00 0.00 O ATOM 596 CB GLU A 73 -9.656 -0.254 2.903 1.00 0.00 C ATOM 597 CG GLU A 73 -9.423 -1.679 2.427 1.00 0.00 C ATOM 598 CD GLU A 73 -8.530 -2.467 3.365 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.957 -2.732 4.509 1.00 0.00 O ATOM 600 OE2 GLU A 73 -7.403 -2.820 2.956 1.00 0.00 O ATOM 0 H GLU A 73 -10.084 -0.412 0.480 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.777 -0.031 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.762 0.337 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.801 -0.260 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.382 -2.188 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.973 -1.658 1.435 1.00 0.00 H new ATOM 607 N THR A 74 -9.961 2.675 2.014 1.00 0.00 N ATOM 608 CA THR A 74 -9.874 4.108 2.286 1.00 0.00 C ATOM 609 C THR A 74 -11.047 4.870 1.671 1.00 0.00 C ATOM 610 O THR A 74 -11.922 5.357 2.385 1.00 0.00 O ATOM 611 CB THR A 74 -8.556 4.667 1.750 1.00 0.00 C ATOM 612 OG1 THR A 74 -8.141 3.954 0.599 1.00 0.00 O ATOM 613 CG2 THR A 74 -7.428 4.609 2.756 1.00 0.00 C ATOM 0 H THR A 74 -9.269 2.328 1.350 1.00 0.00 H new ATOM 0 HA THR A 74 -9.914 4.242 3.367 1.00 0.00 H new ATOM 0 HB THR A 74 -8.759 5.712 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.924 3.724 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.522 5.021 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.697 5.191 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.251 3.573 3.045 1.00 0.00 H new ATOM 621 N GLY A 75 -11.059 4.971 0.344 1.00 0.00 N ATOM 622 CA GLY A 75 -12.132 5.677 -0.334 1.00 0.00 C ATOM 623 C GLY A 75 -11.642 6.889 -1.107 1.00 0.00 C ATOM 624 O GLY A 75 -11.840 8.027 -0.682 1.00 0.00 O ATOM 0 H GLY A 75 -10.347 4.578 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.635 4.994 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.872 5.995 0.400 1.00 0.00 H new ATOM 628 N SER A 76 -11.008 6.643 -2.249 1.00 0.00 N ATOM 629 CA SER A 76 -10.496 7.719 -3.092 1.00 0.00 C ATOM 630 C SER A 76 -10.022 7.164 -4.438 1.00 0.00 C ATOM 631 O SER A 76 -10.837 6.922 -5.328 1.00 0.00 O ATOM 632 CB SER A 76 -9.369 8.468 -2.376 1.00 0.00 C ATOM 633 OG SER A 76 -9.875 9.566 -1.636 1.00 0.00 O ATOM 0 H SER A 76 -10.836 5.706 -2.613 1.00 0.00 H new ATOM 0 HA SER A 76 -11.302 8.427 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.843 7.787 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.642 8.822 -3.107 1.00 0.00 H new ATOM 0 HG SER A 76 -10.739 9.324 -1.241 1.00 0.00 H new ATOM 639 N ALA A 77 -8.713 6.934 -4.588 1.00 0.00 N ATOM 640 CA ALA A 77 -8.189 6.377 -5.840 1.00 0.00 C ATOM 641 C ALA A 77 -6.944 5.552 -5.562 1.00 0.00 C ATOM 642 O ALA A 77 -6.122 5.949 -4.748 1.00 0.00 O ATOM 643 CB ALA A 77 -7.881 7.492 -6.829 1.00 0.00 C ATOM 0 H ALA A 77 -8.009 7.120 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.946 5.728 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.493 7.062 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.792 8.050 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.137 8.163 -6.400 1.00 0.00 H new ATOM 649 N GLY A 78 -6.801 4.399 -6.210 1.00 0.00 N ATOM 650 CA GLY A 78 -5.632 3.567 -5.949 1.00 0.00 C ATOM 651 C GLY A 78 -4.912 3.095 -7.199 1.00 0.00 C ATOM 652 O GLY A 78 -5.536 2.798 -8.217 1.00 0.00 O ATOM 0 H GLY A 78 -7.457 4.029 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.932 4.128 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.942 2.696 -5.371 1.00 0.00 H new ATOM 656 N ASN A 79 -3.584 3.026 -7.108 1.00 0.00 N ATOM 657 CA ASN A 79 -2.744 2.587 -8.222 1.00 0.00 C ATOM 658 C ASN A 79 -1.752 1.521 -7.747 1.00 0.00 C ATOM 659 O ASN A 79 -1.113 1.684 -6.707 1.00 0.00 O ATOM 660 CB ASN A 79 -1.973 3.797 -8.753 1.00 0.00 C ATOM 661 CG ASN A 79 -2.019 3.893 -10.265 1.00 0.00 C ATOM 662 OD1 ASN A 79 -2.949 3.400 -10.902 1.00 0.00 O ATOM 663 ND2 ASN A 79 -1.010 4.532 -10.846 1.00 0.00 N ATOM 0 H ASN A 79 -3.063 3.271 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.369 2.159 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.389 4.707 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.935 3.735 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.985 4.630 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.260 4.925 -10.277 1.00 0.00 H new ATOM 670 N LEU A 80 -1.551 0.476 -8.542 1.00 0.00 N ATOM 671 CA LEU A 80 -0.576 -0.562 -8.194 1.00 0.00 C ATOM 672 C LEU A 80 0.459 -0.706 -9.300 1.00 0.00 C ATOM 673 O LEU A 80 0.107 -0.776 -10.477 1.00 0.00 O ATOM 674 CB LEU A 80 -1.299 -1.893 -8.015 1.00 0.00 C ATOM 675 CG LEU A 80 -0.584 -2.881 -7.090 1.00 0.00 C ATOM 676 CD1 LEU A 80 -1.570 -3.836 -6.452 1.00 0.00 C ATOM 677 CD2 LEU A 80 0.489 -3.646 -7.849 1.00 0.00 C ATOM 0 H LEU A 80 -2.042 0.322 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.075 -0.279 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.296 -1.701 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.428 -2.357 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.103 -2.312 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.037 -4.527 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.296 -3.272 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.088 -4.397 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.985 -4.343 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.030 -4.199 -8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.221 -2.945 -8.249 1.00 0.00 H new ATOM 689 N GLU A 81 1.730 -0.838 -8.923 1.00 0.00 N ATOM 690 CA GLU A 81 2.778 -1.024 -9.929 1.00 0.00 C ATOM 691 C GLU A 81 3.648 -2.214 -9.565 1.00 0.00 C ATOM 692 O GLU A 81 4.077 -2.336 -8.419 1.00 0.00 O ATOM 693 CB GLU A 81 3.647 0.234 -9.978 1.00 0.00 C ATOM 694 CG GLU A 81 3.304 1.164 -11.131 1.00 0.00 C ATOM 695 CD GLU A 81 4.122 0.876 -12.375 1.00 0.00 C ATOM 696 OE1 GLU A 81 4.192 -0.303 -12.779 1.00 0.00 O ATOM 697 OE2 GLU A 81 4.691 1.831 -12.944 1.00 0.00 O ATOM 0 H GLU A 81 2.055 -0.821 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 81 2.316 -1.204 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.539 0.777 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.694 -0.060 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.244 1.068 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.470 2.196 -10.822 1.00 0.00 H new ATOM 704 N GLY A 82 3.976 -3.048 -10.541 1.00 0.00 N ATOM 705 CA GLY A 82 4.844 -4.186 -10.277 1.00 0.00 C ATOM 706 C GLY A 82 4.273 -5.166 -9.257 1.00 0.00 C ATOM 707 O GLY A 82 3.859 -6.269 -9.616 1.00 0.00 O ATOM 0 H GLY A 82 3.661 -2.961 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.030 -4.715 -11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.807 -3.822 -9.919 1.00 0.00 H new ATOM 711 N GLY A 83 4.265 -4.773 -7.980 1.00 0.00 N ATOM 712 CA GLY A 83 3.755 -5.654 -6.932 1.00 0.00 C ATOM 713 C GLY A 83 3.564 -4.964 -5.591 1.00 0.00 C ATOM 714 O GLY A 83 3.318 -5.596 -4.570 1.00 0.00 O ATOM 0 H GLY A 83 4.600 -3.867 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.801 -6.072 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.443 -6.490 -6.806 1.00 0.00 H new ATOM 718 N ARG A 84 3.628 -3.666 -5.644 1.00 0.00 N ATOM 719 CA ARG A 84 3.432 -2.779 -4.538 1.00 0.00 C ATOM 720 C ARG A 84 2.055 -2.185 -4.719 1.00 0.00 C ATOM 721 O ARG A 84 1.664 -1.796 -5.824 1.00 0.00 O ATOM 722 CB ARG A 84 4.518 -1.703 -4.584 1.00 0.00 C ATOM 723 CG ARG A 84 5.923 -2.264 -4.721 1.00 0.00 C ATOM 724 CD ARG A 84 6.940 -1.167 -4.991 1.00 0.00 C ATOM 725 NE ARG A 84 8.232 -1.708 -5.407 1.00 0.00 N ATOM 726 CZ ARG A 84 8.494 -2.134 -6.641 1.00 0.00 C ATOM 727 NH1 ARG A 84 7.560 -2.081 -7.582 1.00 0.00 N ATOM 728 NH2 ARG A 84 9.695 -2.616 -6.934 1.00 0.00 N ATOM 0 H ARG A 84 3.830 -3.170 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 84 3.500 -3.279 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.320 -1.034 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.462 -1.103 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.194 -2.795 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.947 -2.991 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.559 -0.502 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.072 -0.565 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 84 8.976 -1.762 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.635 -1.712 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.767 -2.409 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.416 -2.660 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.897 -2.943 -7.879 1.00 0.00 H new ATOM 742 N LEU A 85 1.382 -2.016 -3.608 1.00 0.00 N ATOM 743 CA LEU A 85 0.047 -1.417 -3.607 1.00 0.00 C ATOM 744 C LEU A 85 0.157 0.003 -3.077 1.00 0.00 C ATOM 745 O LEU A 85 0.801 0.253 -2.058 1.00 0.00 O ATOM 746 CB LEU A 85 -0.865 -2.258 -2.686 1.00 0.00 C ATOM 747 CG LEU A 85 -1.951 -1.502 -1.890 1.00 0.00 C ATOM 748 CD1 LEU A 85 -1.359 -0.860 -0.647 1.00 0.00 C ATOM 749 CD2 LEU A 85 -2.653 -0.456 -2.746 1.00 0.00 C ATOM 0 H LEU A 85 1.727 -2.281 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.373 -1.396 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.358 -3.014 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.231 -2.787 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.698 -2.234 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.142 -0.333 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.929 -1.632 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.581 -0.154 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.410 0.054 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.923 0.270 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.129 -0.942 -3.597 1.00 0.00 H new ATOM 761 N ILE A 86 -0.520 0.920 -3.746 1.00 0.00 N ATOM 762 CA ILE A 86 -0.533 2.308 -3.339 1.00 0.00 C ATOM 763 C ILE A 86 -1.971 2.761 -3.159 1.00 0.00 C ATOM 764 O ILE A 86 -2.824 2.527 -4.023 1.00 0.00 O ATOM 765 CB ILE A 86 0.146 3.178 -4.421 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.580 2.703 -4.661 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.127 4.651 -4.036 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.909 2.487 -6.122 1.00 0.00 C ATOM 0 H ILE A 86 -1.072 0.722 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 86 0.010 2.415 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.419 3.069 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.271 3.436 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.741 1.771 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.612 5.237 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.905 4.983 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.660 4.788 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.942 2.151 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.242 1.732 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.781 3.423 -6.666 1.00 0.00 H new ATOM 780 N LEU A 87 -2.211 3.488 -2.086 1.00 0.00 N ATOM 781 CA LEU A 87 -3.519 4.033 -1.816 1.00 0.00 C ATOM 782 C LEU A 87 -3.406 5.540 -1.718 1.00 0.00 C ATOM 783 O LEU A 87 -2.520 6.071 -1.047 1.00 0.00 O ATOM 784 CB LEU A 87 -4.041 3.450 -0.497 1.00 0.00 C ATOM 785 CG LEU A 87 -3.347 3.957 0.772 1.00 0.00 C ATOM 786 CD1 LEU A 87 -4.166 3.606 2.006 1.00 0.00 C ATOM 787 CD2 LEU A 87 -1.944 3.381 0.880 1.00 0.00 C ATOM 0 H LEU A 87 -1.507 3.714 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.214 3.776 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.106 3.670 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.941 2.365 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.268 5.042 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.657 3.974 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.150 4.068 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.278 2.524 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.467 3.752 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.999 2.293 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.358 3.684 0.012 1.00 0.00 H new ATOM 799 N GLN A 88 -4.344 6.220 -2.331 1.00 0.00 N ATOM 800 CA GLN A 88 -4.384 7.667 -2.293 1.00 0.00 C ATOM 801 C GLN A 88 -5.659 8.138 -1.627 1.00 0.00 C ATOM 802 O GLN A 88 -6.746 8.074 -2.213 1.00 0.00 O ATOM 803 CB GLN A 88 -4.266 8.260 -3.700 1.00 0.00 C ATOM 804 CG GLN A 88 -2.858 8.703 -4.059 1.00 0.00 C ATOM 805 CD GLN A 88 -2.483 8.355 -5.487 1.00 0.00 C ATOM 806 OE1 GLN A 88 -2.628 7.210 -5.917 1.00 0.00 O ATOM 807 NE2 GLN A 88 -1.997 9.344 -6.229 1.00 0.00 N ATOM 0 H GLN A 88 -5.098 5.792 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.532 8.015 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.601 7.519 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.938 9.114 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.773 9.780 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.149 8.235 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.894 10.277 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.727 9.170 -7.197 1.00 0.00 H new