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 : amide:sc= -0.727 K(o=-0.73,f=-0.052) USER MOD Single : A 47 THR OG1 : rot 138:sc= -5.35! USER MOD Single : A 51 ASN : amide:sc= -4.21! C(o=-4.2!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.024) 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+ -143:sc= -0.113 (180deg=-0.656) USER MOD Single : A 74 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.164 K(o=-0.16,f=-2!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 40 4.394 1.861 5.159 1.00 0.00 N ATOM 17 CA ILE A 40 3.500 2.867 4.598 1.00 0.00 C ATOM 18 C ILE A 40 4.132 4.253 4.689 1.00 0.00 C ATOM 19 O ILE A 40 4.615 4.654 5.748 1.00 0.00 O ATOM 20 CB ILE A 40 2.162 2.878 5.364 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.578 1.465 5.441 1.00 0.00 C ATOM 22 CG2 ILE A 40 1.177 3.829 4.701 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.012 1.119 6.801 1.00 0.00 C ATOM 0 HA ILE A 40 3.323 2.616 3.552 1.00 0.00 H new ATOM 0 HB ILE A 40 2.347 3.229 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.792 1.364 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.355 0.745 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.238 3.824 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.591 4.837 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.995 3.508 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.616 0.104 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.800 1.187 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.212 1.816 7.050 1.00 0.00 H new ATOM 35 N LEU A 41 4.087 4.998 3.589 1.00 0.00 N ATOM 36 CA LEU A 41 4.646 6.348 3.561 1.00 0.00 C ATOM 37 C LEU A 41 3.640 7.304 2.949 1.00 0.00 C ATOM 38 O LEU A 41 3.087 7.020 1.889 1.00 0.00 O ATOM 39 CB LEU A 41 5.918 6.360 2.713 1.00 0.00 C ATOM 40 CG LEU A 41 7.201 6.702 3.474 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.422 6.438 2.607 1.00 0.00 C ATOM 42 CD2 LEU A 41 7.175 8.151 3.935 1.00 0.00 C ATOM 0 H LEU A 41 3.672 4.693 2.709 1.00 0.00 H new ATOM 0 HA LEU A 41 4.878 6.658 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.038 5.380 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.791 7.080 1.904 1.00 0.00 H new ATOM 0 HG LEU A 41 7.261 6.062 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.325 6.687 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.448 5.385 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.370 7.052 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.095 8.378 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.091 8.807 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.320 8.308 4.593 1.00 0.00 H new ATOM 54 N ILE A 42 3.427 8.457 3.571 1.00 0.00 N ATOM 55 CA ILE A 42 2.491 9.416 3.006 1.00 0.00 C ATOM 56 C ILE A 42 3.168 10.736 2.660 1.00 0.00 C ATOM 57 O ILE A 42 3.862 11.336 3.481 1.00 0.00 O ATOM 58 CB ILE A 42 1.340 9.709 3.994 1.00 0.00 C ATOM 59 CG1 ILE A 42 0.865 8.424 4.683 1.00 0.00 C ATOM 60 CG2 ILE A 42 0.184 10.384 3.268 1.00 0.00 C ATOM 61 CD1 ILE A 42 0.886 8.509 6.194 1.00 0.00 C ATOM 0 H ILE A 42 3.875 8.744 4.441 1.00 0.00 H new ATOM 0 HA ILE A 42 2.100 8.964 2.094 1.00 0.00 H new ATOM 0 HB ILE A 42 1.714 10.384 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.149 8.197 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.497 7.595 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.621 10.586 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.527 11.322 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.182 9.728 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.538 7.566 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.903 8.705 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.232 9.317 6.522 1.00 0.00 H new ATOM 73 N GLU A 43 2.910 11.197 1.443 1.00 0.00 N ATOM 74 CA GLU A 43 3.445 12.459 0.952 1.00 0.00 C ATOM 75 C GLU A 43 2.308 13.214 0.277 1.00 0.00 C ATOM 76 O GLU A 43 1.567 12.628 -0.506 1.00 0.00 O ATOM 77 CB GLU A 43 4.534 12.172 -0.084 1.00 0.00 C ATOM 78 CG GLU A 43 5.941 12.432 0.429 1.00 0.00 C ATOM 79 CD GLU A 43 6.992 12.291 -0.656 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.684 12.611 -1.824 1.00 0.00 O ATOM 81 OE2 GLU A 43 8.120 11.862 -0.338 1.00 0.00 O ATOM 0 H GLU A 43 2.323 10.706 0.768 1.00 0.00 H new ATOM 0 HA GLU A 43 3.866 13.043 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.458 11.132 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.357 12.788 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.991 13.436 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.163 11.736 1.238 1.00 0.00 H new ATOM 88 N GLY A 44 2.197 14.511 0.515 1.00 0.00 N ATOM 89 CA GLY A 44 1.144 15.277 -0.133 1.00 0.00 C ATOM 90 C GLY A 44 -0.245 14.701 0.127 1.00 0.00 C ATOM 91 O GLY A 44 -0.905 15.084 1.092 1.00 0.00 O ATOM 0 H GLY A 44 2.806 15.045 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.178 16.307 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.327 15.303 -1.207 1.00 0.00 H new ATOM 95 N ASN A 45 -0.696 13.786 -0.740 1.00 0.00 N ATOM 96 CA ASN A 45 -2.023 13.178 -0.587 1.00 0.00 C ATOM 97 C ASN A 45 -2.054 11.696 -1.003 1.00 0.00 C ATOM 98 O ASN A 45 -3.077 11.029 -0.853 1.00 0.00 O ATOM 99 CB ASN A 45 -3.052 13.961 -1.403 1.00 0.00 C ATOM 100 CG ASN A 45 -2.672 14.064 -2.867 1.00 0.00 C ATOM 101 OD1 ASN A 45 -2.213 15.110 -3.328 1.00 0.00 O ATOM 102 ND2 ASN A 45 -2.862 12.978 -3.607 1.00 0.00 N ATOM 0 H ASN A 45 -0.168 13.453 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.270 13.220 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.025 13.477 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.156 14.963 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.625 12.989 -4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.245 12.133 -3.183 1.00 0.00 H new ATOM 109 N ARG A 46 -0.938 11.188 -1.517 1.00 0.00 N ATOM 110 CA ARG A 46 -0.839 9.793 -1.946 1.00 0.00 C ATOM 111 C ARG A 46 0.157 9.043 -1.061 1.00 0.00 C ATOM 112 O ARG A 46 1.254 9.540 -0.789 1.00 0.00 O ATOM 113 CB ARG A 46 -0.359 9.767 -3.397 1.00 0.00 C ATOM 114 CG ARG A 46 0.970 10.476 -3.611 1.00 0.00 C ATOM 115 CD ARG A 46 1.476 10.294 -5.034 1.00 0.00 C ATOM 116 NE ARG A 46 2.044 11.527 -5.575 1.00 0.00 N ATOM 117 CZ ARG A 46 2.854 11.568 -6.630 1.00 0.00 C ATOM 118 NH1 ARG A 46 3.195 10.450 -7.259 1.00 0.00 N ATOM 119 NH2 ARG A 46 3.325 12.732 -7.058 1.00 0.00 N ATOM 0 H ARG A 46 -0.081 11.726 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.812 9.309 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.265 8.731 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.115 10.232 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.855 11.539 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.708 10.088 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.231 9.508 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.656 9.963 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 46 1.806 12.407 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.836 9.552 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.816 10.489 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.066 13.594 -6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.946 12.765 -7.867 1.00 0.00 H new ATOM 133 N THR A 47 -0.186 7.811 -0.682 1.00 0.00 N ATOM 134 CA THR A 47 0.707 6.989 0.121 1.00 0.00 C ATOM 135 C THR A 47 1.034 5.705 -0.626 1.00 0.00 C ATOM 136 O THR A 47 0.151 5.048 -1.164 1.00 0.00 O ATOM 137 CB THR A 47 0.009 6.656 1.439 1.00 0.00 C ATOM 138 OG1 THR A 47 -0.226 7.831 2.193 1.00 0.00 O ATOM 139 CG2 THR A 47 0.782 5.693 2.317 1.00 0.00 C ATOM 0 H THR A 47 -1.073 7.366 -0.919 1.00 0.00 H new ATOM 0 HA THR A 47 1.634 7.528 0.317 1.00 0.00 H new ATOM 0 HB THR A 47 -0.925 6.175 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.123 7.794 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.222 5.506 3.233 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.930 4.754 1.784 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.751 6.125 2.566 1.00 0.00 H new ATOM 147 N ILE A 48 2.294 5.315 -0.577 1.00 0.00 N ATOM 148 CA ILE A 48 2.748 4.080 -1.206 1.00 0.00 C ATOM 149 C ILE A 48 3.111 3.052 -0.144 1.00 0.00 C ATOM 150 O ILE A 48 3.812 3.369 0.822 1.00 0.00 O ATOM 151 CB ILE A 48 3.996 4.367 -2.064 1.00 0.00 C ATOM 152 CG1 ILE A 48 5.080 5.048 -1.223 1.00 0.00 C ATOM 153 CG2 ILE A 48 3.628 5.227 -3.265 1.00 0.00 C ATOM 154 CD1 ILE A 48 6.407 4.322 -1.245 1.00 0.00 C ATOM 0 H ILE A 48 3.031 5.839 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 48 1.944 3.690 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 48 4.392 3.419 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.225 6.065 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.734 5.125 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.520 5.421 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.891 4.704 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.209 6.173 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.127 4.861 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.276 3.313 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.775 4.268 -2.269 1.00 0.00 H new ATOM 166 N ILE A 49 2.715 1.799 -0.363 1.00 0.00 N ATOM 167 CA ILE A 49 3.058 0.739 0.564 1.00 0.00 C ATOM 168 C ILE A 49 3.926 -0.309 -0.101 1.00 0.00 C ATOM 169 O ILE A 49 3.598 -0.835 -1.163 1.00 0.00 O ATOM 170 CB ILE A 49 1.811 0.060 1.153 1.00 0.00 C ATOM 171 CG1 ILE A 49 0.913 1.101 1.810 1.00 0.00 C ATOM 172 CG2 ILE A 49 2.210 -1.013 2.158 1.00 0.00 C ATOM 173 CD1 ILE A 49 -0.386 0.534 2.341 1.00 0.00 C ATOM 0 H ILE A 49 2.162 1.502 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 49 3.613 1.209 1.376 1.00 0.00 H new ATOM 0 HB ILE A 49 1.259 -0.420 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.456 1.571 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.689 1.884 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.314 -1.482 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.821 -1.767 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.781 -0.559 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.973 1.333 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.951 0.089 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.171 -0.228 3.090 1.00 0.00 H new ATOM 185 N ARG A 50 5.029 -0.610 0.553 1.00 0.00 N ATOM 186 CA ARG A 50 5.962 -1.606 0.060 1.00 0.00 C ATOM 187 C ARG A 50 5.534 -2.978 0.548 1.00 0.00 C ATOM 188 O ARG A 50 6.312 -3.704 1.168 1.00 0.00 O ATOM 189 CB ARG A 50 7.383 -1.292 0.536 1.00 0.00 C ATOM 190 CG ARG A 50 7.769 0.170 0.375 1.00 0.00 C ATOM 191 CD ARG A 50 8.898 0.349 -0.632 1.00 0.00 C ATOM 192 NE ARG A 50 8.565 1.333 -1.658 1.00 0.00 N ATOM 193 CZ ARG A 50 9.410 1.730 -2.607 1.00 0.00 C ATOM 194 NH1 ARG A 50 10.638 1.230 -2.661 1.00 0.00 N ATOM 195 NH2 ARG A 50 9.026 2.627 -3.503 1.00 0.00 N ATOM 0 H ARG A 50 5.304 -0.176 1.434 1.00 0.00 H new ATOM 0 HA ARG A 50 5.959 -1.592 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.475 -1.570 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.088 -1.909 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.899 0.742 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.075 0.574 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.803 0.661 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.117 -0.608 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 50 7.630 1.740 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.938 0.539 -1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.282 1.537 -3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.083 3.014 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.674 2.931 -4.230 1.00 0.00 H new ATOM 209 N ASN A 51 4.279 -3.323 0.276 1.00 0.00 N ATOM 210 CA ASN A 51 3.741 -4.600 0.704 1.00 0.00 C ATOM 211 C ASN A 51 3.926 -5.671 -0.359 1.00 0.00 C ATOM 212 O ASN A 51 3.113 -6.586 -0.489 1.00 0.00 O ATOM 213 CB ASN A 51 2.267 -4.462 1.084 1.00 0.00 C ATOM 214 CG ASN A 51 1.690 -5.744 1.652 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.032 -6.509 0.947 1.00 0.00 O ATOM 216 ND2 ASN A 51 1.933 -5.985 2.936 1.00 0.00 N ATOM 0 H ASN A 51 3.622 -2.735 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 51 4.299 -4.915 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.158 -3.662 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.694 -4.169 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.569 -6.831 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.483 -5.324 3.484 1.00 0.00 H new ATOM 223 N PHE A 52 4.996 -5.537 -1.130 1.00 0.00 N ATOM 224 CA PHE A 52 5.290 -6.481 -2.201 1.00 0.00 C ATOM 225 C PHE A 52 5.065 -7.938 -1.811 1.00 0.00 C ATOM 226 O PHE A 52 4.525 -8.679 -2.610 1.00 0.00 O ATOM 227 CB PHE A 52 6.723 -6.366 -2.723 1.00 0.00 C ATOM 228 CG PHE A 52 6.892 -7.034 -4.074 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.780 -7.486 -4.785 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.147 -7.214 -4.631 1.00 0.00 C ATOM 231 CE1 PHE A 52 5.916 -8.097 -6.013 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.292 -7.828 -5.864 1.00 0.00 C ATOM 233 CZ PHE A 52 7.175 -8.270 -6.556 1.00 0.00 C ATOM 0 H PHE A 52 5.676 -4.783 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 52 4.583 -6.201 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.996 -5.314 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.407 -6.820 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.794 -7.355 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.022 -6.872 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.043 -8.439 -6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.277 -7.963 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.288 -8.749 -7.518 1.00 0.00 H new ATOM 243 N ARG A 53 5.487 -8.386 -0.635 1.00 0.00 N ATOM 244 CA ARG A 53 5.297 -9.803 -0.268 1.00 0.00 C ATOM 245 C ARG A 53 3.878 -10.290 -0.621 1.00 0.00 C ATOM 246 O ARG A 53 3.661 -11.004 -1.619 1.00 0.00 O ATOM 247 CB ARG A 53 5.561 -10.001 1.227 1.00 0.00 C ATOM 248 CG ARG A 53 6.917 -10.622 1.527 1.00 0.00 C ATOM 249 CD ARG A 53 7.921 -9.576 1.986 1.00 0.00 C ATOM 250 NE ARG A 53 9.234 -9.773 1.374 1.00 0.00 N ATOM 251 CZ ARG A 53 10.356 -9.219 1.830 1.00 0.00 C ATOM 252 NH1 ARG A 53 10.329 -8.434 2.900 1.00 0.00 N ATOM 253 NH2 ARG A 53 11.506 -9.451 1.214 1.00 0.00 N ATOM 0 H ARG A 53 5.952 -7.815 0.071 1.00 0.00 H new ATOM 0 HA ARG A 53 6.010 -10.395 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.492 -9.037 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.779 -10.635 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.806 -11.384 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.294 -11.123 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.550 -8.582 1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.017 -9.617 3.071 1.00 0.00 H new ATOM 0 HE ARG A 53 9.294 -10.370 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.446 -8.253 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.191 -8.012 3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.531 -10.053 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.366 -9.027 1.562 1.00 0.00 H new ATOM 267 N GLU A 54 2.913 -9.872 0.192 1.00 0.00 N ATOM 268 CA GLU A 54 1.515 -10.221 -0.027 1.00 0.00 C ATOM 269 C GLU A 54 1.144 -9.932 -1.473 1.00 0.00 C ATOM 270 O GLU A 54 0.541 -10.759 -2.157 1.00 0.00 O ATOM 271 CB GLU A 54 0.609 -9.437 0.924 1.00 0.00 C ATOM 272 CG GLU A 54 -0.072 -10.306 1.970 1.00 0.00 C ATOM 273 CD GLU A 54 0.340 -9.947 3.385 1.00 0.00 C ATOM 274 OE1 GLU A 54 1.548 -10.021 3.689 1.00 0.00 O ATOM 275 OE2 GLU A 54 -0.547 -9.591 4.189 1.00 0.00 O ATOM 0 H GLU A 54 3.076 -9.288 1.012 1.00 0.00 H new ATOM 0 HA GLU A 54 1.376 -11.283 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.200 -8.672 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.153 -8.919 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.153 -10.204 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.168 -11.352 1.780 1.00 0.00 H new ATOM 282 N LEU A 55 1.518 -8.741 -1.923 1.00 0.00 N ATOM 283 CA LEU A 55 1.243 -8.306 -3.283 1.00 0.00 C ATOM 284 C LEU A 55 1.645 -9.373 -4.300 1.00 0.00 C ATOM 285 O LEU A 55 0.861 -9.701 -5.175 1.00 0.00 O ATOM 286 CB LEU A 55 1.974 -6.999 -3.583 1.00 0.00 C ATOM 287 CG LEU A 55 1.568 -6.315 -4.890 1.00 0.00 C ATOM 288 CD1 LEU A 55 0.065 -6.080 -4.923 1.00 0.00 C ATOM 289 CD2 LEU A 55 2.319 -5.004 -5.060 1.00 0.00 C ATOM 0 H LEU A 55 2.017 -8.054 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 55 0.169 -8.142 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.801 -6.306 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.045 -7.198 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 55 1.831 -6.971 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.207 -5.593 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.454 -7.035 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.222 -5.443 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.018 -4.531 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.087 -4.341 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.391 -5.199 -5.081 1.00 0.00 H new ATOM 301 N ALA A 56 2.853 -9.914 -4.187 1.00 0.00 N ATOM 302 CA ALA A 56 3.344 -10.943 -5.098 1.00 0.00 C ATOM 303 C ALA A 56 2.317 -12.045 -5.229 1.00 0.00 C ATOM 304 O ALA A 56 1.866 -12.373 -6.333 1.00 0.00 O ATOM 305 CB ALA A 56 4.669 -11.504 -4.603 1.00 0.00 C ATOM 0 H ALA A 56 3.520 -9.652 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 56 3.509 -10.497 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.021 -12.270 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.405 -10.702 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.532 -11.942 -3.615 1.00 0.00 H new ATOM 311 N LYS A 57 1.906 -12.593 -4.089 1.00 0.00 N ATOM 312 CA LYS A 57 0.875 -13.626 -4.111 1.00 0.00 C ATOM 313 C LYS A 57 -0.319 -13.076 -4.888 1.00 0.00 C ATOM 314 O LYS A 57 -0.858 -13.701 -5.818 1.00 0.00 O ATOM 315 CB LYS A 57 0.458 -14.009 -2.689 1.00 0.00 C ATOM 316 CG LYS A 57 -0.053 -15.436 -2.570 1.00 0.00 C ATOM 317 CD LYS A 57 -1.264 -15.522 -1.654 1.00 0.00 C ATOM 318 CE LYS A 57 -1.719 -16.959 -1.463 1.00 0.00 C ATOM 319 NZ LYS A 57 -0.839 -17.699 -0.518 1.00 0.00 N ATOM 0 H LYS A 57 2.258 -12.349 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 57 1.258 -14.527 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.310 -13.880 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.319 -13.324 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.316 -15.813 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.741 -16.077 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.020 -15.085 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.080 -14.934 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.743 -16.969 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.727 -17.468 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.183 -18.675 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.133 -17.712 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.851 -17.228 0.409 1.00 0.00 H new ATOM 333 N ALA A 58 -0.698 -11.867 -4.505 1.00 0.00 N ATOM 334 CA ALA A 58 -1.789 -11.160 -5.137 1.00 0.00 C ATOM 335 C ALA A 58 -1.641 -11.135 -6.656 1.00 0.00 C ATOM 336 O ALA A 58 -2.597 -11.420 -7.373 1.00 0.00 O ATOM 337 CB ALA A 58 -1.881 -9.744 -4.593 1.00 0.00 C ATOM 0 H ALA A 58 -0.254 -11.351 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.710 -11.694 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.706 -9.221 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.053 -9.778 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.949 -9.216 -4.794 1.00 0.00 H new ATOM 343 N VAL A 59 -0.463 -10.765 -7.163 1.00 0.00 N ATOM 344 CA VAL A 59 -0.265 -10.679 -8.603 1.00 0.00 C ATOM 345 C VAL A 59 -0.738 -11.931 -9.286 1.00 0.00 C ATOM 346 O VAL A 59 -1.550 -11.815 -10.203 1.00 0.00 O ATOM 347 CB VAL A 59 1.170 -10.300 -9.069 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.060 -9.841 -7.921 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.836 -11.437 -9.836 1.00 0.00 C ATOM 0 H VAL A 59 0.355 -10.524 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.880 -9.833 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 59 1.049 -9.454 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.049 -9.590 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.620 -8.963 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.149 -10.642 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.836 -11.132 -10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.906 -12.316 -9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.243 -11.677 -10.718 1.00 0.00 H new ATOM 359 N ASN A 60 -0.294 -13.090 -8.809 1.00 0.00 N ATOM 360 CA ASN A 60 -0.745 -14.351 -9.378 1.00 0.00 C ATOM 361 C ASN A 60 -2.267 -14.342 -9.476 1.00 0.00 C ATOM 362 O ASN A 60 -2.845 -14.881 -10.420 1.00 0.00 O ATOM 363 CB ASN A 60 -0.276 -15.527 -8.520 1.00 0.00 C ATOM 364 CG ASN A 60 -0.060 -16.787 -9.335 1.00 0.00 C ATOM 365 OD1 ASN A 60 -0.666 -17.825 -9.067 1.00 0.00 O ATOM 366 ND2 ASN A 60 0.806 -16.703 -10.338 1.00 0.00 N ATOM 0 H ASN A 60 0.369 -13.180 -8.039 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.317 -14.467 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.653 -15.259 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.014 -15.723 -7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.991 -17.519 -10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.286 -15.823 -10.525 1.00 0.00 H new ATOM 373 N ARG A 61 -2.908 -13.704 -8.496 1.00 0.00 N ATOM 374 CA ARG A 61 -4.370 -13.602 -8.480 1.00 0.00 C ATOM 375 C ARG A 61 -4.843 -12.178 -8.816 1.00 0.00 C ATOM 376 O ARG A 61 -5.929 -11.769 -8.404 1.00 0.00 O ATOM 377 CB ARG A 61 -4.914 -14.019 -7.114 1.00 0.00 C ATOM 378 CG ARG A 61 -4.721 -15.495 -6.807 1.00 0.00 C ATOM 379 CD ARG A 61 -5.884 -16.058 -6.006 1.00 0.00 C ATOM 380 NE ARG A 61 -7.136 -16.035 -6.763 1.00 0.00 N ATOM 381 CZ ARG A 61 -8.063 -15.086 -6.645 1.00 0.00 C ATOM 382 NH1 ARG A 61 -7.889 -14.067 -5.810 1.00 0.00 N ATOM 383 NH2 ARG A 61 -9.172 -15.153 -7.372 1.00 0.00 N ATOM 0 H ARG A 61 -2.443 -13.253 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.755 -14.275 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.423 -13.428 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.977 -13.783 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.618 -16.050 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.794 -15.633 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.658 -17.083 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.005 -15.481 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.310 -16.793 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.038 -14.006 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.606 -13.346 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.312 -15.930 -8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.884 -14.428 -7.284 1.00 0.00 H new ATOM 397 N ASP A 62 -4.005 -11.424 -9.538 1.00 0.00 N ATOM 398 CA ASP A 62 -4.297 -10.033 -9.912 1.00 0.00 C ATOM 399 C ASP A 62 -3.857 -9.063 -8.825 1.00 0.00 C ATOM 400 O ASP A 62 -4.673 -8.518 -8.083 1.00 0.00 O ATOM 401 CB ASP A 62 -5.785 -9.840 -10.229 1.00 0.00 C ATOM 402 CG ASP A 62 -6.339 -10.952 -11.098 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.903 -11.069 -12.261 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.211 -11.704 -10.614 1.00 0.00 O ATOM 0 H ASP A 62 -3.105 -11.760 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.726 -9.816 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.349 -9.795 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.925 -8.884 -10.733 1.00 0.00 H new ATOM 409 N GLU A 63 -2.547 -8.822 -8.782 1.00 0.00 N ATOM 410 CA GLU A 63 -1.960 -7.873 -7.829 1.00 0.00 C ATOM 411 C GLU A 63 -2.618 -6.552 -8.078 1.00 0.00 C ATOM 412 O GLU A 63 -3.025 -5.831 -7.159 1.00 0.00 O ATOM 413 CB GLU A 63 -0.449 -7.708 -8.011 1.00 0.00 C ATOM 414 CG GLU A 63 -0.030 -7.332 -9.425 1.00 0.00 C ATOM 415 CD GLU A 63 1.464 -7.101 -9.548 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.081 -6.667 -8.552 1.00 0.00 O ATOM 417 OE2 GLU A 63 2.016 -7.355 -10.639 1.00 0.00 O ATOM 0 H GLU A 63 -1.868 -9.271 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.120 -8.245 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.093 -6.942 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.043 -8.640 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.329 -8.124 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.560 -6.429 -9.729 1.00 0.00 H new ATOM 424 N GLU A 64 -2.734 -6.271 -9.372 1.00 0.00 N ATOM 425 CA GLU A 64 -3.376 -5.049 -9.829 1.00 0.00 C ATOM 426 C GLU A 64 -4.662 -4.866 -9.046 1.00 0.00 C ATOM 427 O GLU A 64 -4.936 -3.806 -8.467 1.00 0.00 O ATOM 428 CB GLU A 64 -3.666 -5.116 -11.329 1.00 0.00 C ATOM 429 CG GLU A 64 -3.714 -3.754 -12.001 1.00 0.00 C ATOM 430 CD GLU A 64 -4.617 -3.737 -13.220 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.382 -4.548 -14.142 1.00 0.00 O ATOM 432 OE2 GLU A 64 -5.554 -2.915 -13.253 1.00 0.00 O ATOM 0 H GLU A 64 -2.391 -6.874 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.713 -4.200 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.900 -5.723 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.619 -5.622 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.064 -3.011 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.706 -3.463 -12.296 1.00 0.00 H new ATOM 439 N PHE A 65 -5.426 -5.947 -9.010 1.00 0.00 N ATOM 440 CA PHE A 65 -6.673 -5.987 -8.284 1.00 0.00 C ATOM 441 C PHE A 65 -6.473 -5.557 -6.837 1.00 0.00 C ATOM 442 O PHE A 65 -7.246 -4.750 -6.323 1.00 0.00 O ATOM 443 CB PHE A 65 -7.276 -7.392 -8.336 1.00 0.00 C ATOM 444 CG PHE A 65 -8.775 -7.399 -8.435 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.413 -6.828 -9.526 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.547 -7.976 -7.440 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.791 -6.834 -9.621 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.926 -7.984 -7.529 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.549 -7.411 -8.621 1.00 0.00 C ATOM 0 H PHE A 65 -5.193 -6.819 -9.486 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.363 -5.289 -8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.861 -7.925 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.976 -7.940 -7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.826 -6.374 -10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.065 -8.425 -6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.275 -6.388 -10.477 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.516 -8.437 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.627 -7.414 -8.692 1.00 0.00 H new ATOM 459 N PHE A 66 -5.461 -6.117 -6.154 1.00 0.00 N ATOM 460 CA PHE A 66 -5.269 -5.759 -4.756 1.00 0.00 C ATOM 461 C PHE A 66 -5.149 -4.249 -4.530 1.00 0.00 C ATOM 462 O PHE A 66 -5.998 -3.675 -3.855 1.00 0.00 O ATOM 463 CB PHE A 66 -4.090 -6.395 -4.035 1.00 0.00 C ATOM 464 CG PHE A 66 -4.000 -5.634 -2.759 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.043 -5.745 -1.856 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.033 -4.671 -2.555 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.106 -4.934 -0.754 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.115 -3.827 -1.470 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.152 -3.966 -0.570 1.00 0.00 C ATOM 0 H PHE A 66 -4.794 -6.789 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.184 -6.167 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.257 -7.457 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.172 -6.310 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.817 -6.480 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.210 -4.579 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.902 -5.056 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.370 -3.059 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.213 -3.308 0.285 1.00 0.00 H new ATOM 479 N ALA A 67 -4.084 -3.585 -5.027 1.00 0.00 N ATOM 480 CA ALA A 67 -3.955 -2.158 -4.763 1.00 0.00 C ATOM 481 C ALA A 67 -5.333 -1.524 -4.873 1.00 0.00 C ATOM 482 O ALA A 67 -5.752 -0.776 -3.986 1.00 0.00 O ATOM 483 CB ALA A 67 -2.966 -1.505 -5.716 1.00 0.00 C ATOM 0 H ALA A 67 -3.339 -4.000 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.562 -2.006 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.893 -0.441 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.987 -1.968 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.308 -1.637 -6.742 1.00 0.00 H new ATOM 489 N LYS A 68 -6.072 -1.875 -5.925 1.00 0.00 N ATOM 490 CA LYS A 68 -7.435 -1.377 -6.062 1.00 0.00 C ATOM 491 C LYS A 68 -8.130 -1.482 -4.698 1.00 0.00 C ATOM 492 O LYS A 68 -8.715 -0.516 -4.215 1.00 0.00 O ATOM 493 CB LYS A 68 -8.203 -2.181 -7.115 1.00 0.00 C ATOM 494 CG LYS A 68 -9.314 -1.391 -7.789 1.00 0.00 C ATOM 495 CD LYS A 68 -9.220 -1.471 -9.304 1.00 0.00 C ATOM 496 CE LYS A 68 -8.609 -0.209 -9.893 1.00 0.00 C ATOM 497 NZ LYS A 68 -9.297 0.209 -11.146 1.00 0.00 N ATOM 0 H LYS A 68 -5.757 -2.488 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.414 -0.338 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.504 -2.531 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.631 -3.066 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.282 -1.773 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.261 -0.348 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.618 -2.334 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.214 -1.625 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.666 0.597 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.552 -0.379 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.851 1.073 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.221 -0.550 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.300 0.396 -10.945 1.00 0.00 H new ATOM 511 N TYR A 69 -8.020 -2.652 -4.062 1.00 0.00 N ATOM 512 CA TYR A 69 -8.582 -2.904 -2.728 1.00 0.00 C ATOM 513 C TYR A 69 -8.285 -1.743 -1.807 1.00 0.00 C ATOM 514 O TYR A 69 -9.186 -1.204 -1.165 1.00 0.00 O ATOM 515 CB TYR A 69 -8.012 -4.192 -2.118 1.00 0.00 C ATOM 516 CG TYR A 69 -8.819 -5.429 -2.449 1.00 0.00 C ATOM 517 CD1 TYR A 69 -9.226 -5.689 -3.751 1.00 0.00 C ATOM 518 CD2 TYR A 69 -9.169 -6.336 -1.457 1.00 0.00 C ATOM 519 CE1 TYR A 69 -9.962 -6.818 -4.056 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.905 -7.468 -1.755 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.298 -7.704 -3.054 1.00 0.00 C ATOM 522 OH TYR A 69 -11.030 -8.830 -3.354 1.00 0.00 O ATOM 0 H TYR A 69 -7.536 -3.457 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.660 -3.018 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.990 -4.330 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.962 -4.080 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.963 -4.998 -4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.862 -6.154 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.272 -7.006 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.171 -8.164 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.181 -9.349 -2.537 1.00 0.00 H new ATOM 532 N LEU A 70 -7.021 -1.338 -1.772 1.00 0.00 N ATOM 533 CA LEU A 70 -6.621 -0.201 -0.951 1.00 0.00 C ATOM 534 C LEU A 70 -7.637 0.911 -1.143 1.00 0.00 C ATOM 535 O LEU A 70 -8.155 1.482 -0.183 1.00 0.00 O ATOM 536 CB LEU A 70 -5.225 0.285 -1.327 1.00 0.00 C ATOM 537 CG LEU A 70 -4.079 -0.574 -0.794 1.00 0.00 C ATOM 538 CD1 LEU A 70 -2.763 -0.169 -1.435 1.00 0.00 C ATOM 539 CD2 LEU A 70 -3.993 -0.471 0.723 1.00 0.00 C ATOM 0 H LEU A 70 -6.263 -1.774 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.590 -0.504 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.152 0.329 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.099 1.303 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.280 -1.613 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.960 -0.792 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.829 -0.300 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.555 0.877 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.171 -1.090 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.818 0.567 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.928 -0.816 1.165 1.00 0.00 H new ATOM 551 N LEU A 71 -7.940 1.174 -2.406 1.00 0.00 N ATOM 552 CA LEU A 71 -8.928 2.176 -2.770 1.00 0.00 C ATOM 553 C LEU A 71 -10.294 1.730 -2.269 1.00 0.00 C ATOM 554 O LEU A 71 -11.006 2.494 -1.619 1.00 0.00 O ATOM 555 CB LEU A 71 -8.957 2.393 -4.288 1.00 0.00 C ATOM 556 CG LEU A 71 -10.138 3.214 -4.820 1.00 0.00 C ATOM 557 CD1 LEU A 71 -11.370 2.336 -4.980 1.00 0.00 C ATOM 558 CD2 LEU A 71 -10.438 4.392 -3.904 1.00 0.00 C ATOM 0 H LEU A 71 -7.511 0.702 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.661 3.126 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.032 2.888 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.967 1.418 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.863 3.607 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.198 2.936 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.154 1.531 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.642 1.911 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.279 4.958 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.688 4.025 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.562 5.038 -3.843 1.00 0.00 H new ATOM 570 N LYS A 72 -10.646 0.474 -2.556 1.00 0.00 N ATOM 571 CA LYS A 72 -11.916 -0.079 -2.110 1.00 0.00 C ATOM 572 C LYS A 72 -12.124 0.229 -0.634 1.00 0.00 C ATOM 573 O LYS A 72 -13.186 0.699 -0.224 1.00 0.00 O ATOM 574 CB LYS A 72 -11.961 -1.590 -2.344 1.00 0.00 C ATOM 575 CG LYS A 72 -11.971 -1.978 -3.814 1.00 0.00 C ATOM 576 CD LYS A 72 -13.366 -1.868 -4.409 1.00 0.00 C ATOM 577 CE LYS A 72 -14.291 -2.943 -3.863 1.00 0.00 C ATOM 578 NZ LYS A 72 -13.733 -4.310 -4.061 1.00 0.00 N ATOM 0 H LYS A 72 -10.068 -0.173 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.717 0.381 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.099 -2.050 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.850 -1.997 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.287 -1.334 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.606 -2.999 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.780 -0.884 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.308 -1.954 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.460 -2.771 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.261 -2.872 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.504 -4.971 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.050 -4.296 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.255 -4.619 -3.191 1.00 0.00 H new ATOM 592 N GLU A 73 -11.090 -0.040 0.156 1.00 0.00 N ATOM 593 CA GLU A 73 -11.140 0.206 1.592 1.00 0.00 C ATOM 594 C GLU A 73 -11.056 1.700 1.894 1.00 0.00 C ATOM 595 O GLU A 73 -11.862 2.237 2.654 1.00 0.00 O ATOM 596 CB GLU A 73 -10.000 -0.532 2.296 1.00 0.00 C ATOM 597 CG GLU A 73 -10.088 -0.480 3.814 1.00 0.00 C ATOM 598 CD GLU A 73 -10.352 -1.840 4.431 1.00 0.00 C ATOM 599 OE1 GLU A 73 -9.442 -2.695 4.393 1.00 0.00 O ATOM 600 OE2 GLU A 73 -11.467 -2.048 4.953 1.00 0.00 O ATOM 0 H GLU A 73 -10.207 -0.429 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.093 -0.168 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.000 -1.574 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.050 -0.101 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.157 -0.078 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.883 0.207 4.105 1.00 0.00 H new ATOM 607 N THR A 74 -10.071 2.366 1.299 1.00 0.00 N ATOM 608 CA THR A 74 -9.874 3.796 1.507 1.00 0.00 C ATOM 609 C THR A 74 -11.085 4.597 1.035 1.00 0.00 C ATOM 610 O THR A 74 -11.830 5.148 1.846 1.00 0.00 O ATOM 611 CB THR A 74 -8.619 4.266 0.770 1.00 0.00 C ATOM 612 OG1 THR A 74 -7.487 3.523 1.185 1.00 0.00 O ATOM 613 CG2 THR A 74 -8.311 5.730 0.986 1.00 0.00 C ATOM 0 H THR A 74 -9.395 1.936 0.667 1.00 0.00 H new ATOM 0 HA THR A 74 -9.751 3.966 2.577 1.00 0.00 H new ATOM 0 HB THR A 74 -8.829 4.109 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.557 2.605 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.409 5.997 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.146 6.334 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.156 5.916 2.049 1.00 0.00 H new ATOM 621 N GLY A 75 -11.282 4.655 -0.279 1.00 0.00 N ATOM 622 CA GLY A 75 -12.407 5.390 -0.828 1.00 0.00 C ATOM 623 C GLY A 75 -11.995 6.392 -1.889 1.00 0.00 C ATOM 624 O GLY A 75 -12.658 6.522 -2.919 1.00 0.00 O ATOM 0 H GLY A 75 -10.683 4.207 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.120 4.686 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.921 5.913 -0.022 1.00 0.00 H new ATOM 628 N SER A 76 -10.903 7.108 -1.638 1.00 0.00 N ATOM 629 CA SER A 76 -10.413 8.107 -2.583 1.00 0.00 C ATOM 630 C SER A 76 -10.059 7.468 -3.925 1.00 0.00 C ATOM 631 O SER A 76 -10.873 7.460 -4.849 1.00 0.00 O ATOM 632 CB SER A 76 -9.198 8.836 -2.001 1.00 0.00 C ATOM 633 OG SER A 76 -9.529 10.163 -1.629 1.00 0.00 O ATOM 0 H SER A 76 -10.342 7.016 -0.791 1.00 0.00 H new ATOM 0 HA SER A 76 -11.209 8.831 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.826 8.293 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.393 8.851 -2.736 1.00 0.00 H new ATOM 0 HG SER A 76 -8.737 10.606 -1.259 1.00 0.00 H new ATOM 639 N ALA A 77 -8.847 6.928 -4.028 1.00 0.00 N ATOM 640 CA ALA A 77 -8.397 6.283 -5.261 1.00 0.00 C ATOM 641 C ALA A 77 -7.189 5.406 -4.981 1.00 0.00 C ATOM 642 O ALA A 77 -6.468 5.649 -4.024 1.00 0.00 O ATOM 643 CB ALA A 77 -8.065 7.328 -6.316 1.00 0.00 C ATOM 0 H ALA A 77 -8.159 6.924 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.202 5.655 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.732 6.832 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.953 7.923 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.272 7.979 -5.947 1.00 0.00 H new ATOM 649 N GLY A 78 -6.969 4.381 -5.797 1.00 0.00 N ATOM 650 CA GLY A 78 -5.831 3.501 -5.567 1.00 0.00 C ATOM 651 C GLY A 78 -4.993 3.265 -6.811 1.00 0.00 C ATOM 652 O GLY A 78 -5.511 3.256 -7.927 1.00 0.00 O ATOM 0 H GLY A 78 -7.547 4.143 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.200 3.930 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.191 2.543 -5.193 1.00 0.00 H new ATOM 656 N ASN A 79 -3.689 3.082 -6.610 1.00 0.00 N ATOM 657 CA ASN A 79 -2.760 2.850 -7.715 1.00 0.00 C ATOM 658 C ASN A 79 -1.882 1.635 -7.426 1.00 0.00 C ATOM 659 O ASN A 79 -1.347 1.498 -6.332 1.00 0.00 O ATOM 660 CB ASN A 79 -1.879 4.090 -7.873 1.00 0.00 C ATOM 661 CG ASN A 79 -1.373 4.262 -9.292 1.00 0.00 C ATOM 662 OD1 ASN A 79 -1.955 3.734 -10.239 1.00 0.00 O ATOM 663 ND2 ASN A 79 -0.281 5.003 -9.446 1.00 0.00 N ATOM 0 H ASN A 79 -3.251 3.090 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.321 2.661 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.446 4.975 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.030 4.018 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.107 5.153 -10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.170 5.422 -8.633 1.00 0.00 H new ATOM 670 N LEU A 80 -1.662 0.798 -8.434 1.00 0.00 N ATOM 671 CA LEU A 80 -0.795 -0.365 -8.267 1.00 0.00 C ATOM 672 C LEU A 80 0.494 -0.217 -9.069 1.00 0.00 C ATOM 673 O LEU A 80 0.476 0.130 -10.249 1.00 0.00 O ATOM 674 CB LEU A 80 -1.522 -1.620 -8.743 1.00 0.00 C ATOM 675 CG LEU A 80 -0.642 -2.876 -8.784 1.00 0.00 C ATOM 676 CD1 LEU A 80 -1.151 -3.924 -7.808 1.00 0.00 C ATOM 677 CD2 LEU A 80 -0.568 -3.438 -10.198 1.00 0.00 C ATOM 0 H LEU A 80 -2.066 0.900 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.545 -0.444 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.372 -1.806 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.924 -1.438 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 80 0.366 -2.595 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.512 -4.806 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.136 -3.517 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.171 -4.202 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.061 -4.328 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.570 -3.700 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.142 -2.689 -10.865 1.00 0.00 H new ATOM 689 N GLU A 81 1.598 -0.608 -8.445 1.00 0.00 N ATOM 690 CA GLU A 81 2.899 -0.614 -9.097 1.00 0.00 C ATOM 691 C GLU A 81 3.400 -2.046 -9.080 1.00 0.00 C ATOM 692 O GLU A 81 3.292 -2.707 -8.052 1.00 0.00 O ATOM 693 CB GLU A 81 3.848 0.285 -8.301 1.00 0.00 C ATOM 694 CG GLU A 81 3.846 1.733 -8.765 1.00 0.00 C ATOM 695 CD GLU A 81 5.243 2.318 -8.854 1.00 0.00 C ATOM 696 OE1 GLU A 81 5.994 1.923 -9.771 1.00 0.00 O ATOM 697 OE2 GLU A 81 5.586 3.169 -8.007 1.00 0.00 O ATOM 0 H GLU A 81 1.616 -0.928 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 81 2.840 -0.246 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.571 0.249 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.861 -0.111 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.366 1.797 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.249 2.331 -8.076 1.00 0.00 H new ATOM 704 N GLY A 82 3.999 -2.519 -10.153 1.00 0.00 N ATOM 705 CA GLY A 82 4.517 -3.884 -10.159 1.00 0.00 C ATOM 706 C GLY A 82 5.479 -4.223 -9.009 1.00 0.00 C ATOM 707 O GLY A 82 6.669 -4.425 -9.249 1.00 0.00 O ATOM 0 H GLY A 82 4.141 -1.997 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.675 -4.575 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.031 -4.057 -11.105 1.00 0.00 H new ATOM 711 N GLY A 83 4.972 -4.333 -7.765 1.00 0.00 N ATOM 712 CA GLY A 83 5.843 -4.706 -6.640 1.00 0.00 C ATOM 713 C GLY A 83 5.414 -4.172 -5.283 1.00 0.00 C ATOM 714 O GLY A 83 5.766 -4.701 -4.244 1.00 0.00 O ATOM 0 H GLY A 83 3.995 -4.174 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.893 -5.793 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.852 -4.351 -6.850 1.00 0.00 H new ATOM 718 N ARG A 84 4.679 -3.119 -5.322 1.00 0.00 N ATOM 719 CA ARG A 84 4.171 -2.420 -4.175 1.00 0.00 C ATOM 720 C ARG A 84 2.711 -2.102 -4.455 1.00 0.00 C ATOM 721 O ARG A 84 2.343 -1.704 -5.561 1.00 0.00 O ATOM 722 CB ARG A 84 4.953 -1.113 -4.041 1.00 0.00 C ATOM 723 CG ARG A 84 6.345 -1.294 -3.455 1.00 0.00 C ATOM 724 CD ARG A 84 7.417 -1.228 -4.531 1.00 0.00 C ATOM 725 NE ARG A 84 7.521 0.105 -5.121 1.00 0.00 N ATOM 726 CZ ARG A 84 8.582 0.535 -5.800 1.00 0.00 C ATOM 727 NH1 ARG A 84 9.631 -0.258 -5.979 1.00 0.00 N ATOM 728 NH2 ARG A 84 8.593 1.763 -6.303 1.00 0.00 N ATOM 0 H ARG A 84 4.394 -2.690 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 84 4.268 -3.008 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.039 -0.648 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.389 -0.425 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.530 -0.521 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.402 -2.254 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.379 -1.510 -4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.191 -1.953 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 84 6.734 0.744 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.627 -1.203 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.441 0.078 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.789 2.376 -6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.405 2.094 -6.823 1.00 0.00 H new ATOM 742 N LEU A 85 1.928 -2.117 -3.412 1.00 0.00 N ATOM 743 CA LEU A 85 0.512 -1.727 -3.526 1.00 0.00 C ATOM 744 C LEU A 85 0.401 -0.332 -2.906 1.00 0.00 C ATOM 745 O LEU A 85 0.942 -0.081 -1.830 1.00 0.00 O ATOM 746 CB LEU A 85 -0.356 -2.732 -2.758 1.00 0.00 C ATOM 747 CG LEU A 85 0.216 -3.256 -1.437 1.00 0.00 C ATOM 748 CD1 LEU A 85 -0.188 -2.358 -0.277 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.250 -4.686 -1.195 1.00 0.00 C ATOM 0 H LEU A 85 2.223 -2.389 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 85 0.172 -1.718 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.319 -2.264 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.549 -3.585 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 85 1.304 -3.249 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.230 -2.751 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.191 -1.350 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.275 -2.329 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.162 -5.049 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.339 -4.711 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.092 -5.323 -2.010 1.00 0.00 H new ATOM 761 N ILE A 86 -0.308 0.570 -3.582 1.00 0.00 N ATOM 762 CA ILE A 86 -0.451 1.945 -3.104 1.00 0.00 C ATOM 763 C ILE A 86 -1.899 2.311 -2.814 1.00 0.00 C ATOM 764 O ILE A 86 -2.797 2.065 -3.632 1.00 0.00 O ATOM 765 CB ILE A 86 0.095 2.910 -4.180 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.532 2.533 -4.548 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.025 4.356 -3.713 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.635 1.696 -5.804 1.00 0.00 C ATOM 0 H ILE A 86 -0.791 0.375 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 86 0.109 2.029 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.532 2.817 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.116 3.444 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.979 1.985 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.417 5.009 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.011 4.621 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.620 4.475 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.682 1.467 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.079 0.768 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.218 2.250 -6.645 1.00 0.00 H new ATOM 780 N LEU A 87 -2.097 3.020 -1.707 1.00 0.00 N ATOM 781 CA LEU A 87 -3.407 3.515 -1.338 1.00 0.00 C ATOM 782 C LEU A 87 -3.365 5.032 -1.290 1.00 0.00 C ATOM 783 O LEU A 87 -2.458 5.622 -0.706 1.00 0.00 O ATOM 784 CB LEU A 87 -3.803 2.936 0.035 1.00 0.00 C ATOM 785 CG LEU A 87 -3.127 3.537 1.281 1.00 0.00 C ATOM 786 CD1 LEU A 87 -1.614 3.561 1.134 1.00 0.00 C ATOM 787 CD2 LEU A 87 -3.671 4.929 1.584 1.00 0.00 C ATOM 0 H LEU A 87 -1.356 3.263 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.150 3.205 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.881 3.049 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.594 1.866 0.022 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.366 2.893 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.168 3.991 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.246 2.544 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.342 4.165 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.176 5.329 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.483 5.586 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.744 4.869 1.765 1.00 0.00 H new ATOM 799 N GLN A 88 -4.384 5.663 -1.838 1.00 0.00 N ATOM 800 CA GLN A 88 -4.472 7.113 -1.817 1.00 0.00 C ATOM 801 C GLN A 88 -5.705 7.565 -1.049 1.00 0.00 C ATOM 802 O GLN A 88 -6.834 7.459 -1.540 1.00 0.00 O ATOM 803 CB GLN A 88 -4.493 7.681 -3.240 1.00 0.00 C ATOM 804 CG GLN A 88 -3.186 8.339 -3.652 1.00 0.00 C ATOM 805 CD GLN A 88 -2.902 8.192 -5.135 1.00 0.00 C ATOM 806 OE1 GLN A 88 -2.471 7.134 -5.593 1.00 0.00 O ATOM 807 NE2 GLN A 88 -3.140 9.257 -5.891 1.00 0.00 N ATOM 0 H GLN A 88 -5.163 5.197 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.587 7.496 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.722 6.877 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.298 8.411 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.220 9.398 -3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.367 7.899 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.497 10.113 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.966 9.219 -6.895 1.00 0.00 H new