USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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 Set 1.1: A 52 MET CE :methyl 145:sc= -8.8! (180deg=-11.4!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.275 K(o=-9.1,f=-11) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= -12.4! C(o=-17!,f=-17!) USER MOD Set 2.3: A 62 GLN : amide:sc= -4.68! C(o=-17!,f=-14!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 171:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 34 THR OG1 : rot -32:sc= 1.02 USER MOD Single : A 5 THR OG1 : rot -66:sc= 0.426 USER MOD Single : A 8 GLN : amide:sc= -3.85! C(o=-3.8!,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.53! C(o=-1.5!,f=-0.96!) USER MOD Single : A 24 ASN : amide:sc= -10.5! C(o=-10!,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.345 USER MOD Single : A 29 SER OG : rot 102:sc= 0.161 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 20:sc= 0.653 USER MOD Single : A 49 ASN : amide:sc= -1.4! C(o=-1.4!,f=-4.3!) USER MOD Single : A 61 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.254 USER MOD Single : A 72 MET CE :methyl 178:sc= -3.3! (180deg=-3.32!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.199 0.012 -18.621 1.00 0.00 N ATOM 40 CA LEU A 4 -15.270 0.127 -17.462 1.00 0.00 C ATOM 41 C LEU A 4 -15.954 -0.389 -16.185 1.00 0.00 C ATOM 42 O LEU A 4 -16.236 -1.563 -16.063 1.00 0.00 O ATOM 43 CB LEU A 4 -14.953 1.620 -17.361 1.00 0.00 C ATOM 44 CG LEU A 4 -14.498 2.138 -18.726 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.545 3.667 -18.733 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.067 1.670 -18.996 1.00 0.00 C ATOM 0 HA LEU A 4 -14.364 -0.466 -17.587 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.834 2.168 -17.027 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.173 1.788 -16.618 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.160 1.751 -19.501 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.221 4.037 -19.706 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.565 4.001 -18.540 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.883 4.055 -17.959 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.741 2.038 -19.969 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.405 2.057 -18.221 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.033 0.581 -18.991 1.00 0.00 H new ATOM 58 N THR A 5 -16.216 0.471 -15.233 1.00 0.00 N ATOM 59 CA THR A 5 -16.877 0.009 -13.973 1.00 0.00 C ATOM 60 C THR A 5 -16.064 -1.127 -13.352 1.00 0.00 C ATOM 61 O THR A 5 -14.866 -1.201 -13.525 1.00 0.00 O ATOM 62 CB THR A 5 -18.270 -0.486 -14.387 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.182 -1.831 -14.836 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.830 0.394 -15.508 1.00 0.00 C ATOM 0 H THR A 5 -16.002 1.468 -15.272 1.00 0.00 H new ATOM 0 HA THR A 5 -16.947 0.804 -13.231 1.00 0.00 H new ATOM 0 HB THR A 5 -18.937 -0.431 -13.527 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.658 -1.866 -15.664 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.818 0.034 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.906 1.424 -15.159 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.165 0.352 -16.371 1.00 0.00 H new ATOM 72 N GLU A 6 -16.700 -2.016 -12.635 1.00 0.00 N ATOM 73 CA GLU A 6 -15.937 -3.141 -12.017 1.00 0.00 C ATOM 74 C GLU A 6 -14.954 -3.711 -13.039 1.00 0.00 C ATOM 75 O GLU A 6 -13.858 -4.112 -12.705 1.00 0.00 O ATOM 76 CB GLU A 6 -16.977 -4.196 -11.641 1.00 0.00 C ATOM 77 CG GLU A 6 -18.145 -3.537 -10.904 1.00 0.00 C ATOM 78 CD GLU A 6 -18.461 -4.331 -9.635 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.407 -5.549 -9.692 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.752 -3.709 -8.626 1.00 0.00 O ATOM 0 H GLU A 6 -17.703 -2.013 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.366 -2.818 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.339 -4.698 -12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.522 -4.959 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.893 -2.508 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.022 -3.500 -11.550 1.00 0.00 H new ATOM 87 N GLU A 7 -15.331 -3.732 -14.287 1.00 0.00 N ATOM 88 CA GLU A 7 -14.405 -4.257 -15.326 1.00 0.00 C ATOM 89 C GLU A 7 -13.098 -3.470 -15.261 1.00 0.00 C ATOM 90 O GLU A 7 -12.022 -4.029 -15.175 1.00 0.00 O ATOM 91 CB GLU A 7 -15.117 -4.019 -16.658 1.00 0.00 C ATOM 92 CG GLU A 7 -14.594 -5.007 -17.702 1.00 0.00 C ATOM 93 CD GLU A 7 -14.989 -6.429 -17.303 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.557 -6.588 -16.234 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.717 -7.337 -18.071 1.00 0.00 O ATOM 0 H GLU A 7 -16.236 -3.410 -14.630 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.166 -5.312 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.193 -4.141 -16.534 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.949 -2.996 -16.994 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.004 -4.766 -18.683 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.510 -4.928 -17.781 1.00 0.00 H new ATOM 102 N GLN A 8 -13.191 -2.169 -15.276 1.00 0.00 N ATOM 103 CA GLN A 8 -11.964 -1.335 -15.191 1.00 0.00 C ATOM 104 C GLN A 8 -11.401 -1.427 -13.767 1.00 0.00 C ATOM 105 O GLN A 8 -10.221 -1.635 -13.566 1.00 0.00 O ATOM 106 CB GLN A 8 -12.427 0.093 -15.542 1.00 0.00 C ATOM 107 CG GLN A 8 -12.736 0.899 -14.274 1.00 0.00 C ATOM 108 CD GLN A 8 -13.040 2.352 -14.650 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.935 2.959 -14.098 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.326 2.940 -15.573 1.00 0.00 N ATOM 0 H GLN A 8 -14.066 -1.649 -15.344 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.169 -1.655 -15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.652 0.599 -16.119 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.315 0.046 -16.173 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.587 0.462 -13.752 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.888 0.860 -13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.574 2.431 -16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.521 3.908 -15.829 1.00 0.00 H new ATOM 119 N ILE A 9 -12.248 -1.292 -12.782 1.00 0.00 N ATOM 120 CA ILE A 9 -11.783 -1.385 -11.371 1.00 0.00 C ATOM 121 C ILE A 9 -11.087 -2.726 -11.143 1.00 0.00 C ATOM 122 O ILE A 9 -9.892 -2.782 -10.937 1.00 0.00 O ATOM 123 CB ILE A 9 -13.054 -1.294 -10.529 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.761 0.035 -10.810 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.686 -1.374 -9.047 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.235 -0.080 -10.421 1.00 0.00 C ATOM 0 H ILE A 9 -13.247 -1.120 -12.896 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.069 -0.602 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.720 -2.118 -10.785 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.287 0.838 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.671 0.291 -11.866 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.591 -1.309 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.184 -2.321 -8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.020 -0.549 -8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.739 0.866 -10.621 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.705 -0.872 -11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.314 -0.316 -9.360 1.00 0.00 H new ATOM 138 N ALA A 10 -11.825 -3.806 -11.184 1.00 0.00 N ATOM 139 CA ALA A 10 -11.198 -5.145 -10.975 1.00 0.00 C ATOM 140 C ALA A 10 -9.848 -5.206 -11.695 1.00 0.00 C ATOM 141 O ALA A 10 -8.848 -5.611 -11.133 1.00 0.00 O ATOM 142 CB ALA A 10 -12.180 -6.144 -11.588 1.00 0.00 C ATOM 0 H ALA A 10 -12.831 -3.818 -11.353 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.010 -5.357 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.789 -7.155 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.142 -6.067 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.310 -5.923 -12.647 1.00 0.00 H new ATOM 148 N GLU A 11 -9.810 -4.791 -12.933 1.00 0.00 N ATOM 149 CA GLU A 11 -8.524 -4.810 -13.682 1.00 0.00 C ATOM 150 C GLU A 11 -7.512 -3.898 -12.986 1.00 0.00 C ATOM 151 O GLU A 11 -6.366 -4.253 -12.794 1.00 0.00 O ATOM 152 CB GLU A 11 -8.863 -4.274 -15.073 1.00 0.00 C ATOM 153 CG GLU A 11 -8.663 -5.380 -16.112 1.00 0.00 C ATOM 154 CD GLU A 11 -10.025 -5.885 -16.590 1.00 0.00 C ATOM 155 OE1 GLU A 11 -10.599 -5.248 -17.459 1.00 0.00 O ATOM 156 OE2 GLU A 11 -10.473 -6.899 -16.079 1.00 0.00 O ATOM 0 H GLU A 11 -10.613 -4.441 -13.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.084 -5.806 -13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.894 -3.921 -15.097 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.228 -3.420 -15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.088 -5.000 -16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.091 -6.201 -15.679 1.00 0.00 H new ATOM 163 N PHE A 12 -7.935 -2.726 -12.594 1.00 0.00 N ATOM 164 CA PHE A 12 -7.006 -1.794 -11.898 1.00 0.00 C ATOM 165 C PHE A 12 -6.525 -2.430 -10.593 1.00 0.00 C ATOM 166 O PHE A 12 -5.346 -2.455 -10.301 1.00 0.00 O ATOM 167 CB PHE A 12 -7.836 -0.540 -11.619 1.00 0.00 C ATOM 168 CG PHE A 12 -8.048 0.219 -12.907 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.975 0.416 -13.787 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.313 0.728 -13.223 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.170 1.120 -14.981 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.507 1.433 -14.417 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.435 1.629 -15.296 1.00 0.00 C ATOM 0 H PHE A 12 -8.884 -2.375 -12.726 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.120 -1.563 -12.489 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.797 -0.816 -11.184 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.327 0.092 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.998 0.025 -13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.140 0.577 -12.545 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.344 1.271 -15.660 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.483 1.826 -14.660 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.584 2.173 -16.217 1.00 0.00 H new ATOM 183 N LYS A 13 -7.431 -2.956 -9.812 1.00 0.00 N ATOM 184 CA LYS A 13 -7.028 -3.605 -8.533 1.00 0.00 C ATOM 185 C LYS A 13 -5.789 -4.467 -8.771 1.00 0.00 C ATOM 186 O LYS A 13 -4.767 -4.291 -8.139 1.00 0.00 O ATOM 187 CB LYS A 13 -8.220 -4.475 -8.132 1.00 0.00 C ATOM 188 CG LYS A 13 -9.322 -3.592 -7.542 1.00 0.00 C ATOM 189 CD LYS A 13 -10.396 -4.473 -6.904 1.00 0.00 C ATOM 190 CE LYS A 13 -10.051 -4.715 -5.433 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.245 -5.402 -4.866 1.00 0.00 N ATOM 0 H LYS A 13 -8.432 -2.964 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.781 -2.883 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.598 -5.015 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.909 -5.223 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.901 -2.916 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.762 -2.972 -8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.371 -3.993 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.464 -5.423 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.157 -5.330 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.852 -3.777 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.085 -5.602 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.079 -4.790 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.406 -6.295 -5.375 1.00 0.00 H new ATOM 205 N GLU A 14 -5.865 -5.387 -9.694 1.00 0.00 N ATOM 206 CA GLU A 14 -4.680 -6.240 -9.981 1.00 0.00 C ATOM 207 C GLU A 14 -3.467 -5.344 -10.235 1.00 0.00 C ATOM 208 O GLU A 14 -2.385 -5.583 -9.732 1.00 0.00 O ATOM 209 CB GLU A 14 -5.047 -7.024 -11.241 1.00 0.00 C ATOM 210 CG GLU A 14 -4.845 -8.520 -10.989 1.00 0.00 C ATOM 211 CD GLU A 14 -6.160 -9.140 -10.512 1.00 0.00 C ATOM 212 OE1 GLU A 14 -7.166 -8.924 -11.167 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.139 -9.821 -9.499 1.00 0.00 O ATOM 0 H GLU A 14 -6.692 -5.583 -10.258 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.429 -6.908 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.083 -6.827 -11.515 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.429 -6.699 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.509 -9.011 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.067 -8.672 -10.241 1.00 0.00 H new ATOM 220 N ALA A 15 -3.646 -4.304 -11.003 1.00 0.00 N ATOM 221 CA ALA A 15 -2.512 -3.379 -11.283 1.00 0.00 C ATOM 222 C ALA A 15 -2.077 -2.691 -9.988 1.00 0.00 C ATOM 223 O ALA A 15 -0.913 -2.679 -9.641 1.00 0.00 O ATOM 224 CB ALA A 15 -3.064 -2.356 -12.275 1.00 0.00 C ATOM 0 H ALA A 15 -4.529 -4.055 -11.449 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.641 -3.897 -11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.284 -1.639 -12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.396 -2.868 -13.179 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.907 -1.831 -11.825 1.00 0.00 H new ATOM 230 N PHE A 16 -3.005 -2.120 -9.266 1.00 0.00 N ATOM 231 CA PHE A 16 -2.636 -1.441 -7.993 1.00 0.00 C ATOM 232 C PHE A 16 -1.685 -2.331 -7.193 1.00 0.00 C ATOM 233 O PHE A 16 -0.549 -1.978 -6.945 1.00 0.00 O ATOM 234 CB PHE A 16 -3.947 -1.252 -7.231 1.00 0.00 C ATOM 235 CG PHE A 16 -3.632 -0.818 -5.820 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.290 0.514 -5.559 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.671 -1.749 -4.775 1.00 0.00 C ATOM 238 CE1 PHE A 16 -2.988 0.917 -4.252 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.369 -1.346 -3.468 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.028 -0.014 -3.207 1.00 0.00 C ATOM 0 H PHE A 16 -3.997 -2.095 -9.502 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.133 -0.490 -8.167 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.567 -0.504 -7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.515 -2.182 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.259 1.231 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.934 -2.777 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.725 1.945 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.399 -2.063 -2.661 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.796 0.296 -2.199 1.00 0.00 H new ATOM 250 N ALA A 17 -2.141 -3.487 -6.792 1.00 0.00 N ATOM 251 CA ALA A 17 -1.261 -4.402 -6.013 1.00 0.00 C ATOM 252 C ALA A 17 0.130 -4.437 -6.646 1.00 0.00 C ATOM 253 O ALA A 17 1.131 -4.270 -5.977 1.00 0.00 O ATOM 254 CB ALA A 17 -1.930 -5.773 -6.104 1.00 0.00 C ATOM 0 H ALA A 17 -3.083 -3.836 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.138 -4.084 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.339 -6.504 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.931 -5.719 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.998 -6.076 -7.149 1.00 0.00 H new ATOM 260 N LEU A 18 0.202 -4.642 -7.933 1.00 0.00 N ATOM 261 CA LEU A 18 1.531 -4.672 -8.604 1.00 0.00 C ATOM 262 C LEU A 18 2.369 -3.482 -8.131 1.00 0.00 C ATOM 263 O LEU A 18 3.570 -3.577 -7.972 1.00 0.00 O ATOM 264 CB LEU A 18 1.227 -4.557 -10.099 1.00 0.00 C ATOM 265 CG LEU A 18 1.706 -5.821 -10.815 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.504 -6.561 -11.406 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.667 -5.434 -11.941 1.00 0.00 C ATOM 0 H LEU A 18 -0.599 -4.789 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 18 2.095 -5.577 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.157 -4.422 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.723 -3.680 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 18 2.218 -6.469 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.846 -7.462 -11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.183 -6.836 -10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.008 -5.913 -12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.009 -6.334 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.153 -4.786 -12.651 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.524 -4.906 -11.523 1.00 0.00 H new ATOM 279 N PHE A 19 1.737 -2.363 -7.895 1.00 0.00 N ATOM 280 CA PHE A 19 2.489 -1.167 -7.421 1.00 0.00 C ATOM 281 C PHE A 19 2.865 -1.345 -5.948 1.00 0.00 C ATOM 282 O PHE A 19 3.997 -1.143 -5.557 1.00 0.00 O ATOM 283 CB PHE A 19 1.521 0.006 -7.591 1.00 0.00 C ATOM 284 CG PHE A 19 1.175 0.175 -9.052 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.143 -0.064 -10.035 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.115 0.573 -9.424 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.822 0.096 -11.389 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.437 0.732 -10.778 1.00 0.00 C ATOM 289 CZ PHE A 19 0.532 0.493 -11.760 1.00 0.00 C ATOM 0 H PHE A 19 0.733 -2.227 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 19 3.415 -1.009 -7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.615 -0.171 -7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.972 0.921 -7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.138 -0.372 -9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.862 0.758 -8.666 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.570 -0.087 -12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.432 1.039 -11.064 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.284 0.615 -12.804 1.00 0.00 H new ATOM 299 N ASP A 20 1.923 -1.728 -5.129 1.00 0.00 N ATOM 300 CA ASP A 20 2.227 -1.926 -3.684 1.00 0.00 C ATOM 301 C ASP A 20 3.061 -3.197 -3.498 1.00 0.00 C ATOM 302 O ASP A 20 2.961 -4.133 -4.265 1.00 0.00 O ATOM 303 CB ASP A 20 0.862 -2.074 -3.006 1.00 0.00 C ATOM 304 CG ASP A 20 1.050 -2.602 -1.584 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.123 -2.409 -1.037 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.115 -3.189 -1.064 1.00 0.00 O ATOM 0 H ASP A 20 0.957 -1.912 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 20 2.800 -1.100 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.350 -1.112 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.233 -2.756 -3.578 1.00 0.00 H new ATOM 311 N LYS A 21 3.889 -3.238 -2.488 1.00 0.00 N ATOM 312 CA LYS A 21 4.729 -4.451 -2.267 1.00 0.00 C ATOM 313 C LYS A 21 4.335 -5.142 -0.958 1.00 0.00 C ATOM 314 O LYS A 21 4.990 -6.063 -0.511 1.00 0.00 O ATOM 315 CB LYS A 21 6.162 -3.928 -2.187 1.00 0.00 C ATOM 316 CG LYS A 21 6.677 -3.637 -3.599 1.00 0.00 C ATOM 317 CD LYS A 21 7.445 -4.853 -4.122 1.00 0.00 C ATOM 318 CE LYS A 21 8.650 -5.122 -3.219 1.00 0.00 C ATOM 319 NZ LYS A 21 9.832 -5.052 -4.124 1.00 0.00 N ATOM 0 H LYS A 21 4.020 -2.488 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 21 4.606 -5.188 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.197 -3.022 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.802 -4.663 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.843 -3.408 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.326 -2.761 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.793 -5.726 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.776 -4.675 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.719 -4.382 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.575 -6.099 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.704 -5.074 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.820 -5.864 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.797 -4.169 -4.673 1.00 0.00 H new ATOM 333 N ASP A 22 3.273 -4.705 -0.340 1.00 0.00 N ATOM 334 CA ASP A 22 2.842 -5.340 0.939 1.00 0.00 C ATOM 335 C ASP A 22 1.374 -5.770 0.851 1.00 0.00 C ATOM 336 O ASP A 22 0.864 -6.449 1.720 1.00 0.00 O ATOM 337 CB ASP A 22 3.017 -4.251 1.997 1.00 0.00 C ATOM 338 CG ASP A 22 4.430 -3.675 1.908 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.369 -4.454 1.931 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.551 -2.463 1.818 1.00 0.00 O ATOM 0 H ASP A 22 2.685 -3.937 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 22 3.420 -6.234 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.281 -3.461 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.843 -4.664 2.991 1.00 0.00 H new ATOM 345 N ASN A 23 0.694 -5.381 -0.191 1.00 0.00 N ATOM 346 CA ASN A 23 -0.740 -5.767 -0.335 1.00 0.00 C ATOM 347 C ASN A 23 -1.571 -5.140 0.787 1.00 0.00 C ATOM 348 O ASN A 23 -2.652 -5.598 1.101 1.00 0.00 O ATOM 349 CB ASN A 23 -0.768 -7.290 -0.217 1.00 0.00 C ATOM 350 CG ASN A 23 0.428 -7.895 -0.958 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.003 -8.869 -0.514 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.829 -7.354 -2.075 1.00 0.00 N ATOM 0 H ASN A 23 1.068 -4.812 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.157 -5.424 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.742 -7.582 0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.698 -7.678 -0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.625 -7.749 -2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.346 -6.536 -2.448 1.00 0.00 H new ATOM 359 N ASN A 24 -1.080 -4.093 1.391 1.00 0.00 N ATOM 360 CA ASN A 24 -1.850 -3.440 2.488 1.00 0.00 C ATOM 361 C ASN A 24 -2.894 -2.488 1.900 1.00 0.00 C ATOM 362 O ASN A 24 -3.451 -1.660 2.593 1.00 0.00 O ATOM 363 CB ASN A 24 -0.814 -2.655 3.297 1.00 0.00 C ATOM 364 CG ASN A 24 0.443 -3.505 3.494 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.517 -2.978 3.702 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.353 -4.806 3.440 1.00 0.00 N ATOM 0 H ASN A 24 -0.181 -3.662 1.173 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.382 -4.165 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.561 -1.729 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.231 -2.376 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.185 -5.381 3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.550 -5.248 3.265 1.00 0.00 H new ATOM 373 N GLY A 25 -3.158 -2.593 0.626 1.00 0.00 N ATOM 374 CA GLY A 25 -4.157 -1.684 -0.001 1.00 0.00 C ATOM 375 C GLY A 25 -3.575 -0.272 -0.074 1.00 0.00 C ATOM 376 O GLY A 25 -4.258 0.677 -0.403 1.00 0.00 O ATOM 0 H GLY A 25 -2.726 -3.267 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.412 -2.038 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.079 -1.681 0.580 1.00 0.00 H new ATOM 380 N SER A 26 -2.314 -0.129 0.229 1.00 0.00 N ATOM 381 CA SER A 26 -1.678 1.219 0.177 1.00 0.00 C ATOM 382 C SER A 26 -0.299 1.119 -0.480 1.00 0.00 C ATOM 383 O SER A 26 0.423 0.160 -0.287 1.00 0.00 O ATOM 384 CB SER A 26 -1.551 1.650 1.637 1.00 0.00 C ATOM 385 OG SER A 26 -0.237 2.138 1.873 1.00 0.00 O ATOM 0 H SER A 26 -1.695 -0.889 0.511 1.00 0.00 H new ATOM 0 HA SER A 26 -2.258 1.934 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.284 2.424 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.762 0.808 2.296 1.00 0.00 H new ATOM 0 HG SER A 26 -0.155 2.416 2.809 1.00 0.00 H new ATOM 391 N ILE A 27 0.071 2.097 -1.258 1.00 0.00 N ATOM 392 CA ILE A 27 1.401 2.052 -1.929 1.00 0.00 C ATOM 393 C ILE A 27 2.298 3.179 -1.412 1.00 0.00 C ATOM 394 O ILE A 27 1.930 4.337 -1.434 1.00 0.00 O ATOM 395 CB ILE A 27 1.098 2.247 -3.414 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.398 1.002 -3.957 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.403 2.473 -4.178 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.388 1.368 -5.214 1.00 0.00 C ATOM 0 H ILE A 27 -0.489 2.925 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 27 1.928 1.118 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 27 0.450 3.114 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.132 0.230 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.273 0.591 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.185 2.612 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.902 3.361 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.053 1.607 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.888 0.480 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.132 2.126 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.294 1.759 -5.969 1.00 0.00 H new ATOM 410 N SER A 28 3.472 2.850 -0.951 1.00 0.00 N ATOM 411 CA SER A 28 4.395 3.903 -0.436 1.00 0.00 C ATOM 412 C SER A 28 5.277 4.431 -1.570 1.00 0.00 C ATOM 413 O SER A 28 5.051 4.147 -2.729 1.00 0.00 O ATOM 414 CB SER A 28 5.244 3.202 0.623 1.00 0.00 C ATOM 415 OG SER A 28 4.459 2.212 1.275 1.00 0.00 O ATOM 0 H SER A 28 3.834 1.897 -0.908 1.00 0.00 H new ATOM 0 HA SER A 28 3.859 4.759 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.118 2.743 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.612 3.927 1.349 1.00 0.00 H new ATOM 0 HG SER A 28 5.002 1.759 1.954 1.00 0.00 H new ATOM 421 N SER A 29 6.282 5.199 -1.245 1.00 0.00 N ATOM 422 CA SER A 29 7.176 5.744 -2.306 1.00 0.00 C ATOM 423 C SER A 29 7.937 4.607 -2.995 1.00 0.00 C ATOM 424 O SER A 29 7.722 4.317 -4.155 1.00 0.00 O ATOM 425 CB SER A 29 8.146 6.667 -1.568 1.00 0.00 C ATOM 426 OG SER A 29 7.535 7.128 -0.371 1.00 0.00 O ATOM 0 H SER A 29 6.522 5.472 -0.292 1.00 0.00 H new ATOM 0 HA SER A 29 6.621 6.270 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.069 6.135 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.415 7.512 -2.201 1.00 0.00 H new ATOM 0 HG SER A 29 7.888 6.624 0.392 1.00 0.00 H new ATOM 432 N SER A 30 8.823 3.960 -2.289 1.00 0.00 N ATOM 433 CA SER A 30 9.597 2.844 -2.904 1.00 0.00 C ATOM 434 C SER A 30 8.647 1.741 -3.382 1.00 0.00 C ATOM 435 O SER A 30 9.019 0.881 -4.155 1.00 0.00 O ATOM 436 CB SER A 30 10.499 2.325 -1.786 1.00 0.00 C ATOM 437 OG SER A 30 11.500 3.294 -1.502 1.00 0.00 O ATOM 0 H SER A 30 9.045 4.156 -1.313 1.00 0.00 H new ATOM 0 HA SER A 30 10.170 3.169 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.909 2.122 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.962 1.384 -2.084 1.00 0.00 H new ATOM 0 HG SER A 30 12.080 2.965 -0.784 1.00 0.00 H new ATOM 443 N GLU A 31 7.423 1.762 -2.929 1.00 0.00 N ATOM 444 CA GLU A 31 6.453 0.715 -3.359 1.00 0.00 C ATOM 445 C GLU A 31 6.046 0.936 -4.818 1.00 0.00 C ATOM 446 O GLU A 31 6.025 0.018 -5.612 1.00 0.00 O ATOM 447 CB GLU A 31 5.247 0.888 -2.433 1.00 0.00 C ATOM 448 CG GLU A 31 5.532 0.212 -1.090 1.00 0.00 C ATOM 449 CD GLU A 31 4.229 -0.338 -0.507 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.323 0.449 -0.288 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.159 -1.537 -0.289 1.00 0.00 O ATOM 0 H GLU A 31 7.053 2.458 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 31 6.874 -0.288 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.040 1.948 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.359 0.452 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.252 -0.595 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.979 0.927 -0.399 1.00 0.00 H new ATOM 458 N LEU A 32 5.722 2.148 -5.178 1.00 0.00 N ATOM 459 CA LEU A 32 5.316 2.425 -6.586 1.00 0.00 C ATOM 460 C LEU A 32 6.547 2.461 -7.497 1.00 0.00 C ATOM 461 O LEU A 32 6.457 2.236 -8.687 1.00 0.00 O ATOM 462 CB LEU A 32 4.641 3.797 -6.543 1.00 0.00 C ATOM 463 CG LEU A 32 3.190 3.667 -7.005 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.446 4.975 -6.724 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.157 3.377 -8.508 1.00 0.00 C ATOM 0 H LEU A 32 5.721 2.958 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 32 4.652 1.656 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.677 4.200 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.176 4.498 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 32 2.709 2.851 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.411 4.883 -7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.469 5.184 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.927 5.791 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.122 3.284 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.638 4.193 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.687 2.447 -8.711 1.00 0.00 H new ATOM 477 N ALA A 33 7.697 2.743 -6.947 1.00 0.00 N ATOM 478 CA ALA A 33 8.930 2.793 -7.785 1.00 0.00 C ATOM 479 C ALA A 33 9.499 1.385 -7.976 1.00 0.00 C ATOM 480 O ALA A 33 10.259 1.131 -8.889 1.00 0.00 O ATOM 481 CB ALA A 33 9.909 3.663 -6.996 1.00 0.00 C ATOM 0 H ALA A 33 7.836 2.941 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 33 8.736 3.194 -8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.845 3.749 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.480 4.655 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.101 3.206 -6.025 1.00 0.00 H new ATOM 487 N THR A 34 9.138 0.467 -7.122 1.00 0.00 N ATOM 488 CA THR A 34 9.660 -0.924 -7.256 1.00 0.00 C ATOM 489 C THR A 34 8.836 -1.701 -8.287 1.00 0.00 C ATOM 490 O THR A 34 9.135 -2.835 -8.605 1.00 0.00 O ATOM 491 CB THR A 34 9.502 -1.542 -5.866 1.00 0.00 C ATOM 492 OG1 THR A 34 10.184 -2.788 -5.825 1.00 0.00 O ATOM 493 CG2 THR A 34 8.019 -1.760 -5.567 1.00 0.00 C ATOM 0 H THR A 34 8.504 0.619 -6.337 1.00 0.00 H new ATOM 0 HA THR A 34 10.695 -0.946 -7.596 1.00 0.00 H new ATOM 0 HB THR A 34 9.925 -0.870 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.145 -3.212 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.909 -2.200 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.497 -0.804 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.592 -2.432 -6.312 1.00 0.00 H new ATOM 501 N VAL A 35 7.803 -1.101 -8.811 1.00 0.00 N ATOM 502 CA VAL A 35 6.963 -1.807 -9.821 1.00 0.00 C ATOM 503 C VAL A 35 7.389 -1.406 -11.236 1.00 0.00 C ATOM 504 O VAL A 35 6.932 -1.965 -12.214 1.00 0.00 O ATOM 505 CB VAL A 35 5.533 -1.348 -9.540 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.421 0.156 -9.793 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.569 -2.094 -10.466 1.00 0.00 C ATOM 0 H VAL A 35 7.504 -0.153 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 35 7.062 -2.891 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 35 5.280 -1.561 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.401 0.484 -9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.109 0.688 -9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.673 0.370 -10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.548 -1.768 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.823 -1.880 -11.504 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.649 -3.166 -10.287 1.00 0.00 H new ATOM 639 N SER A 44 14.374 8.366 -9.641 1.00 0.00 N ATOM 640 CA SER A 44 14.917 8.675 -8.286 1.00 0.00 C ATOM 641 C SER A 44 13.787 9.139 -7.364 1.00 0.00 C ATOM 642 O SER A 44 12.710 9.472 -7.815 1.00 0.00 O ATOM 643 CB SER A 44 15.925 9.801 -8.510 1.00 0.00 C ATOM 644 OG SER A 44 16.694 9.518 -9.672 1.00 0.00 O ATOM 0 HA SER A 44 15.378 7.807 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.405 10.752 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.578 9.898 -7.643 1.00 0.00 H new ATOM 0 HG SER A 44 16.216 8.871 -10.231 1.00 0.00 H new ATOM 650 N GLU A 45 14.027 9.154 -6.077 1.00 0.00 N ATOM 651 CA GLU A 45 12.973 9.591 -5.109 1.00 0.00 C ATOM 652 C GLU A 45 12.128 10.722 -5.702 1.00 0.00 C ATOM 653 O GLU A 45 10.919 10.728 -5.590 1.00 0.00 O ATOM 654 CB GLU A 45 13.745 10.087 -3.886 1.00 0.00 C ATOM 655 CG GLU A 45 12.759 10.479 -2.784 1.00 0.00 C ATOM 656 CD GLU A 45 12.550 9.293 -1.840 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.700 8.169 -2.290 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.246 9.529 -0.682 1.00 0.00 O ATOM 0 H GLU A 45 14.913 8.881 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 45 12.284 8.783 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.417 9.308 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.364 10.943 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.140 11.336 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.808 10.780 -3.223 1.00 0.00 H new ATOM 665 N ALA A 46 12.751 11.674 -6.340 1.00 0.00 N ATOM 666 CA ALA A 46 11.974 12.795 -6.943 1.00 0.00 C ATOM 667 C ALA A 46 10.822 12.234 -7.782 1.00 0.00 C ATOM 668 O ALA A 46 9.669 12.534 -7.550 1.00 0.00 O ATOM 669 CB ALA A 46 12.972 13.539 -7.829 1.00 0.00 C ATOM 0 H ALA A 46 13.761 11.725 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 46 11.535 13.451 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.474 14.381 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.798 13.905 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.357 12.862 -8.591 1.00 0.00 H new ATOM 675 N GLU A 47 11.129 11.417 -8.753 1.00 0.00 N ATOM 676 CA GLU A 47 10.053 10.831 -9.603 1.00 0.00 C ATOM 677 C GLU A 47 9.303 9.749 -8.820 1.00 0.00 C ATOM 678 O GLU A 47 8.111 9.568 -8.975 1.00 0.00 O ATOM 679 CB GLU A 47 10.784 10.219 -10.798 1.00 0.00 C ATOM 680 CG GLU A 47 11.653 11.287 -11.466 1.00 0.00 C ATOM 681 CD GLU A 47 10.846 11.995 -12.555 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.631 11.888 -12.529 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.456 12.633 -13.397 1.00 0.00 O ATOM 0 H GLU A 47 12.078 11.130 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 47 9.316 11.572 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.403 9.384 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.064 9.821 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.994 12.009 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.543 10.829 -11.898 1.00 0.00 H new ATOM 690 N VAL A 48 9.994 9.036 -7.974 1.00 0.00 N ATOM 691 CA VAL A 48 9.329 7.971 -7.169 1.00 0.00 C ATOM 692 C VAL A 48 8.276 8.600 -6.260 1.00 0.00 C ATOM 693 O VAL A 48 7.089 8.413 -6.435 1.00 0.00 O ATOM 694 CB VAL A 48 10.450 7.354 -6.332 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.931 6.110 -5.612 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.613 6.964 -7.243 1.00 0.00 C ATOM 0 H VAL A 48 10.994 9.145 -7.805 1.00 0.00 H new ATOM 0 HA VAL A 48 8.826 7.229 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 48 10.791 8.082 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.733 5.673 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.103 6.386 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.586 5.382 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.412 6.524 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.270 6.238 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.988 7.851 -7.754 1.00 0.00 H new ATOM 706 N ASN A 49 8.712 9.354 -5.293 1.00 0.00 N ATOM 707 CA ASN A 49 7.759 10.016 -4.365 1.00 0.00 C ATOM 708 C ASN A 49 6.699 10.778 -5.170 1.00 0.00 C ATOM 709 O ASN A 49 5.548 10.854 -4.787 1.00 0.00 O ATOM 710 CB ASN A 49 8.642 10.965 -3.547 1.00 0.00 C ATOM 711 CG ASN A 49 7.848 12.203 -3.116 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.432 12.989 -3.943 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.621 12.409 -1.847 1.00 0.00 N ATOM 0 H ASN A 49 9.697 9.541 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 49 7.213 9.321 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.024 10.447 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.506 11.268 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.094 13.230 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.971 11.749 -1.153 1.00 0.00 H new ATOM 720 N ASP A 50 7.081 11.339 -6.286 1.00 0.00 N ATOM 721 CA ASP A 50 6.096 12.089 -7.116 1.00 0.00 C ATOM 722 C ASP A 50 5.003 11.141 -7.614 1.00 0.00 C ATOM 723 O ASP A 50 3.827 11.441 -7.544 1.00 0.00 O ATOM 724 CB ASP A 50 6.906 12.639 -8.290 1.00 0.00 C ATOM 725 CG ASP A 50 7.272 14.100 -8.019 1.00 0.00 C ATOM 726 OD1 ASP A 50 8.191 14.326 -7.249 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.627 14.967 -8.585 1.00 0.00 O ATOM 0 H ASP A 50 8.030 11.310 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 50 5.600 12.883 -6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.810 12.047 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.328 12.563 -9.211 1.00 0.00 H new ATOM 732 N LEU A 51 5.381 9.996 -8.113 1.00 0.00 N ATOM 733 CA LEU A 51 4.364 9.027 -8.612 1.00 0.00 C ATOM 734 C LEU A 51 3.354 8.716 -7.506 1.00 0.00 C ATOM 735 O LEU A 51 2.157 8.791 -7.704 1.00 0.00 O ATOM 736 CB LEU A 51 5.158 7.774 -8.983 1.00 0.00 C ATOM 737 CG LEU A 51 4.529 7.119 -10.214 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.035 7.817 -11.479 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.921 5.641 -10.258 1.00 0.00 C ATOM 0 H LEU A 51 6.350 9.689 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 51 3.801 9.415 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.196 8.035 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.164 7.073 -8.148 1.00 0.00 H new ATOM 0 HG LEU A 51 3.444 7.208 -10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.587 7.350 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.759 8.871 -11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.120 7.727 -11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.474 5.172 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.006 5.554 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.563 5.143 -9.357 1.00 0.00 H new ATOM 751 N MET A 52 3.827 8.368 -6.339 1.00 0.00 N ATOM 752 CA MET A 52 2.892 8.057 -5.220 1.00 0.00 C ATOM 753 C MET A 52 1.898 9.206 -5.033 1.00 0.00 C ATOM 754 O MET A 52 0.700 9.025 -5.121 1.00 0.00 O ATOM 755 CB MET A 52 3.784 7.909 -3.987 1.00 0.00 C ATOM 756 CG MET A 52 2.928 7.989 -2.722 1.00 0.00 C ATOM 757 SD MET A 52 3.306 9.520 -1.832 1.00 0.00 S ATOM 758 CE MET A 52 1.599 10.041 -1.539 1.00 0.00 C ATOM 0 H MET A 52 4.818 8.286 -6.113 1.00 0.00 H new ATOM 0 HA MET A 52 2.306 7.157 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.313 6.957 -4.021 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.540 8.694 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.870 7.960 -2.984 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.122 7.127 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.531 10.537 -0.571 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.290 10.732 -2.323 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.946 9.168 -1.547 1.00 0.00 H new ATOM 768 N ASN A 53 2.388 10.388 -4.778 1.00 0.00 N ATOM 769 CA ASN A 53 1.472 11.549 -4.588 1.00 0.00 C ATOM 770 C ASN A 53 0.582 11.726 -5.821 1.00 0.00 C ATOM 771 O ASN A 53 -0.600 11.987 -5.712 1.00 0.00 O ATOM 772 CB ASN A 53 2.394 12.757 -4.415 1.00 0.00 C ATOM 773 CG ASN A 53 2.159 13.386 -3.040 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.534 12.825 -2.030 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.551 14.538 -2.958 1.00 0.00 N ATOM 0 H ASN A 53 3.382 10.600 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 53 0.809 11.417 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.435 12.450 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.202 13.489 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.391 14.967 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.236 15.010 -3.806 1.00 0.00 H new ATOM 782 N GLU A 54 1.139 11.583 -6.992 1.00 0.00 N ATOM 783 CA GLU A 54 0.324 11.740 -8.230 1.00 0.00 C ATOM 784 C GLU A 54 -1.024 11.035 -8.065 1.00 0.00 C ATOM 785 O GLU A 54 -2.068 11.657 -8.081 1.00 0.00 O ATOM 786 CB GLU A 54 1.146 11.076 -9.334 1.00 0.00 C ATOM 787 CG GLU A 54 0.584 11.475 -10.700 1.00 0.00 C ATOM 788 CD GLU A 54 1.737 11.807 -11.649 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.661 12.475 -11.216 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.676 11.389 -12.794 1.00 0.00 O ATOM 0 H GLU A 54 2.123 11.364 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 54 0.111 12.785 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.190 11.379 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.119 9.992 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.016 10.662 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.075 12.337 -10.596 1.00 0.00 H new ATOM 797 N ILE A 55 -1.011 9.739 -7.904 1.00 0.00 N ATOM 798 CA ILE A 55 -2.292 8.996 -7.737 1.00 0.00 C ATOM 799 C ILE A 55 -2.808 9.152 -6.304 1.00 0.00 C ATOM 800 O ILE A 55 -3.878 8.688 -5.966 1.00 0.00 O ATOM 801 CB ILE A 55 -1.945 7.535 -8.025 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.032 7.002 -6.919 1.00 0.00 C ATOM 803 CG2 ILE A 55 -1.224 7.438 -9.370 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.716 5.528 -7.183 1.00 0.00 C ATOM 0 H ILE A 55 -0.169 9.164 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.074 9.366 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.860 6.944 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.110 7.582 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.516 7.113 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.976 6.397 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.872 7.820 -10.159 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.309 8.029 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.066 5.149 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.643 4.954 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.215 5.430 -8.146 1.00 0.00 H new ATOM 816 N ASP A 56 -2.053 9.803 -5.460 1.00 0.00 N ATOM 817 CA ASP A 56 -2.502 9.988 -4.051 1.00 0.00 C ATOM 818 C ASP A 56 -3.594 11.057 -3.981 1.00 0.00 C ATOM 819 O ASP A 56 -3.887 11.725 -4.953 1.00 0.00 O ATOM 820 CB ASP A 56 -1.254 10.447 -3.295 1.00 0.00 C ATOM 821 CG ASP A 56 -1.531 10.428 -1.791 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.528 9.842 -1.400 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.744 11.001 -1.056 1.00 0.00 O ATOM 0 H ASP A 56 -1.147 10.214 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.923 9.076 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.414 9.793 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.974 11.452 -3.611 1.00 0.00 H new ATOM 828 N VAL A 57 -4.201 11.222 -2.839 1.00 0.00 N ATOM 829 CA VAL A 57 -5.276 12.246 -2.706 1.00 0.00 C ATOM 830 C VAL A 57 -5.138 12.992 -1.375 1.00 0.00 C ATOM 831 O VAL A 57 -5.411 14.172 -1.285 1.00 0.00 O ATOM 832 CB VAL A 57 -6.582 11.454 -2.748 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.755 10.832 -4.134 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.538 10.343 -1.696 1.00 0.00 C ATOM 0 H VAL A 57 -3.999 10.692 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.230 12.998 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.419 12.121 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.686 10.267 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.784 11.621 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.918 10.165 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.469 9.777 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.702 9.676 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.412 10.783 -0.707 1.00 0.00 H new ATOM 844 N ASP A 58 -4.717 12.314 -0.343 1.00 0.00 N ATOM 845 CA ASP A 58 -4.563 12.988 0.978 1.00 0.00 C ATOM 846 C ASP A 58 -3.093 13.337 1.230 1.00 0.00 C ATOM 847 O ASP A 58 -2.749 13.932 2.231 1.00 0.00 O ATOM 848 CB ASP A 58 -5.054 11.965 2.004 1.00 0.00 C ATOM 849 CG ASP A 58 -4.088 10.779 2.044 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.678 10.338 0.983 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.774 10.332 3.136 1.00 0.00 O ATOM 0 H ASP A 58 -4.473 11.324 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.123 13.922 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.122 12.426 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.055 11.623 1.742 1.00 0.00 H new ATOM 856 N GLY A 59 -2.221 12.972 0.328 1.00 0.00 N ATOM 857 CA GLY A 59 -0.777 13.286 0.520 1.00 0.00 C ATOM 858 C GLY A 59 -0.281 12.644 1.817 1.00 0.00 C ATOM 859 O GLY A 59 0.013 13.321 2.782 1.00 0.00 O ATOM 0 H GLY A 59 -2.447 12.471 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.198 12.915 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.631 14.366 0.558 1.00 0.00 H new ATOM 863 N ASN A 60 -0.187 11.344 1.847 1.00 0.00 N ATOM 864 CA ASN A 60 0.291 10.659 3.083 1.00 0.00 C ATOM 865 C ASN A 60 1.507 9.785 2.766 1.00 0.00 C ATOM 866 O ASN A 60 1.691 8.730 3.340 1.00 0.00 O ATOM 867 CB ASN A 60 -0.887 9.797 3.539 1.00 0.00 C ATOM 868 CG ASN A 60 -1.364 8.926 2.375 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.543 9.407 1.274 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.579 7.654 2.574 1.00 0.00 N ATOM 0 H ASN A 60 -0.420 10.725 1.070 1.00 0.00 H new ATOM 0 HA ASN A 60 0.601 11.365 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.588 9.169 4.378 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.701 10.431 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.897 7.064 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.429 7.250 3.498 1.00 0.00 H new ATOM 877 N HIS A 61 2.336 10.216 1.855 1.00 0.00 N ATOM 878 CA HIS A 61 3.542 9.411 1.499 1.00 0.00 C ATOM 879 C HIS A 61 3.119 8.068 0.897 1.00 0.00 C ATOM 880 O HIS A 61 3.925 7.177 0.712 1.00 0.00 O ATOM 881 CB HIS A 61 4.288 9.201 2.819 1.00 0.00 C ATOM 882 CG HIS A 61 4.343 10.500 3.576 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.049 11.716 2.978 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.651 10.790 4.882 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.186 12.672 3.914 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.551 12.162 5.093 1.00 0.00 N ATOM 0 H HIS A 61 2.231 11.091 1.341 1.00 0.00 H new ATOM 0 HA HIS A 61 4.167 9.909 0.758 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.785 8.441 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.297 8.838 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.929 10.064 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.021 13.724 3.734 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.720 12.669 5.962 1.00 0.00 H new ATOM 894 N GLN A 62 1.861 7.919 0.587 1.00 0.00 N ATOM 895 CA GLN A 62 1.381 6.639 -0.008 1.00 0.00 C ATOM 896 C GLN A 62 -0.057 6.796 -0.501 1.00 0.00 C ATOM 897 O GLN A 62 -0.746 7.731 -0.145 1.00 0.00 O ATOM 898 CB GLN A 62 1.450 5.610 1.124 1.00 0.00 C ATOM 899 CG GLN A 62 0.958 6.241 2.429 1.00 0.00 C ATOM 900 CD GLN A 62 -0.129 5.359 3.046 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.027 4.958 4.187 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.173 5.039 2.333 1.00 0.00 N ATOM 0 H GLN A 62 1.142 8.630 0.720 1.00 0.00 H new ATOM 0 HA GLN A 62 1.983 6.335 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.839 4.742 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.474 5.256 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.788 6.354 3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.565 7.239 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.259 5.376 1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.904 4.452 2.734 1.00 0.00 H new ATOM 911 N ILE A 63 -0.514 5.893 -1.322 1.00 0.00 N ATOM 912 CA ILE A 63 -1.905 5.997 -1.840 1.00 0.00 C ATOM 913 C ILE A 63 -2.636 4.660 -1.688 1.00 0.00 C ATOM 914 O ILE A 63 -2.027 3.616 -1.564 1.00 0.00 O ATOM 915 CB ILE A 63 -1.746 6.354 -3.318 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.313 5.112 -4.103 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.690 7.449 -3.475 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.534 4.498 -4.792 1.00 0.00 C ATOM 0 H ILE A 63 0.016 5.088 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.492 6.738 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.700 6.714 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.560 5.380 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.856 4.385 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.580 7.700 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.000 8.335 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.264 7.093 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.230 3.614 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.272 4.216 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.971 5.227 -5.475 1.00 0.00 H new ATOM 930 N GLU A 64 -3.940 4.686 -1.710 1.00 0.00 N ATOM 931 CA GLU A 64 -4.716 3.421 -1.583 1.00 0.00 C ATOM 932 C GLU A 64 -5.297 3.044 -2.946 1.00 0.00 C ATOM 933 O GLU A 64 -5.381 3.865 -3.839 1.00 0.00 O ATOM 934 CB GLU A 64 -5.834 3.736 -0.588 1.00 0.00 C ATOM 935 CG GLU A 64 -5.253 4.491 0.610 1.00 0.00 C ATOM 936 CD GLU A 64 -6.194 4.348 1.808 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.369 3.233 2.269 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.723 5.358 2.244 1.00 0.00 O ATOM 0 H GLU A 64 -4.503 5.531 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.105 2.584 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.606 4.336 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.309 2.813 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.268 4.097 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.121 5.544 0.361 1.00 0.00 H new ATOM 945 N PHE A 65 -5.695 1.816 -3.124 1.00 0.00 N ATOM 946 CA PHE A 65 -6.262 1.412 -4.442 1.00 0.00 C ATOM 947 C PHE A 65 -7.243 2.477 -4.944 1.00 0.00 C ATOM 948 O PHE A 65 -6.970 3.179 -5.896 1.00 0.00 O ATOM 949 CB PHE A 65 -6.992 0.095 -4.192 1.00 0.00 C ATOM 950 CG PHE A 65 -7.823 -0.225 -5.407 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.193 -0.542 -6.615 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.219 -0.186 -5.333 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.959 -0.821 -7.750 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.986 -0.468 -6.468 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.356 -0.784 -7.676 1.00 0.00 C ATOM 0 H PHE A 65 -5.653 1.079 -2.420 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.486 1.304 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.277 -0.705 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.626 0.174 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.115 -0.571 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.704 0.062 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.473 -1.065 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.064 -0.442 -6.412 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.948 -1.000 -8.553 1.00 0.00 H new ATOM 965 N SER A 66 -8.384 2.587 -4.313 1.00 0.00 N ATOM 966 CA SER A 66 -9.400 3.598 -4.741 1.00 0.00 C ATOM 967 C SER A 66 -8.718 4.870 -5.252 1.00 0.00 C ATOM 968 O SER A 66 -9.110 5.433 -6.255 1.00 0.00 O ATOM 969 CB SER A 66 -10.213 3.898 -3.483 1.00 0.00 C ATOM 970 OG SER A 66 -9.672 5.041 -2.836 1.00 0.00 O ATOM 0 H SER A 66 -8.658 2.016 -3.514 1.00 0.00 H new ATOM 0 HA SER A 66 -10.022 3.229 -5.556 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.257 4.073 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.192 3.041 -2.810 1.00 0.00 H new ATOM 0 HG SER A 66 -10.193 5.237 -2.029 1.00 0.00 H new ATOM 976 N GLU A 67 -7.690 5.322 -4.585 1.00 0.00 N ATOM 977 CA GLU A 67 -6.985 6.546 -5.056 1.00 0.00 C ATOM 978 C GLU A 67 -6.330 6.255 -6.407 1.00 0.00 C ATOM 979 O GLU A 67 -6.431 7.027 -7.340 1.00 0.00 O ATOM 980 CB GLU A 67 -5.933 6.841 -3.987 1.00 0.00 C ATOM 981 CG GLU A 67 -6.604 6.878 -2.613 1.00 0.00 C ATOM 982 CD GLU A 67 -5.651 7.505 -1.593 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.596 7.962 -2.002 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.992 7.515 -0.422 1.00 0.00 O ATOM 0 H GLU A 67 -7.310 4.898 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.653 7.397 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.156 6.077 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.447 7.795 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.528 7.454 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.874 5.869 -2.301 1.00 0.00 H new ATOM 991 N PHE A 68 -5.679 5.129 -6.522 1.00 0.00 N ATOM 992 CA PHE A 68 -5.040 4.766 -7.816 1.00 0.00 C ATOM 993 C PHE A 68 -6.097 4.816 -8.922 1.00 0.00 C ATOM 994 O PHE A 68 -5.814 5.145 -10.055 1.00 0.00 O ATOM 995 CB PHE A 68 -4.520 3.337 -7.600 1.00 0.00 C ATOM 996 CG PHE A 68 -4.458 2.585 -8.913 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.727 3.104 -9.989 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.124 1.360 -9.047 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.663 2.398 -11.197 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.058 0.655 -10.253 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.328 1.173 -11.329 1.00 0.00 C ATOM 0 H PHE A 68 -5.563 4.445 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.235 5.439 -8.112 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.529 3.370 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.171 2.809 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.213 4.048 -9.887 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.689 0.960 -8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.100 2.799 -12.027 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.571 -0.290 -10.354 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.278 0.628 -12.260 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.320 4.501 -8.587 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.410 4.538 -9.602 1.00 0.00 C ATOM 1013 C LEU A 69 -8.752 5.990 -9.939 1.00 0.00 C ATOM 1014 O LEU A 69 -8.777 6.383 -11.088 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.597 3.849 -8.931 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.624 2.376 -9.335 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -10.031 2.260 -10.803 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.232 1.771 -9.144 1.00 0.00 C ATOM 0 H LEU A 69 -7.611 4.219 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.131 4.047 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.519 3.939 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.527 4.335 -9.225 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.342 1.841 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.051 1.210 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.022 2.693 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.311 2.794 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.250 0.720 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.514 2.306 -9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.939 1.856 -8.098 1.00 0.00 H new ATOM 1030 N ALA A 70 -9.008 6.791 -8.941 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.341 8.219 -9.199 1.00 0.00 C ATOM 1032 C ALA A 70 -8.395 8.789 -10.258 1.00 0.00 C ATOM 1033 O ALA A 70 -8.802 9.511 -11.146 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.133 8.920 -7.855 1.00 0.00 C ATOM 0 H ALA A 70 -9.001 6.517 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.356 8.352 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.358 9.981 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.795 8.480 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.097 8.799 -7.538 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.134 8.467 -10.170 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.159 8.985 -11.171 1.00 0.00 C ATOM 1042 C LEU A 71 -6.139 8.078 -12.406 1.00 0.00 C ATOM 1043 O LEU A 71 -5.893 8.523 -13.509 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.805 8.953 -10.460 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.945 10.119 -10.947 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -4.074 11.293 -9.974 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.482 9.677 -11.020 1.00 0.00 C ATOM 0 H LEU A 71 -6.736 7.867 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.414 9.987 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.947 9.018 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.300 8.007 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.282 10.429 -11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.460 12.124 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.116 11.609 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.738 10.984 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.868 10.508 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.146 9.366 -10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.388 8.842 -11.714 1.00 0.00 H new ATOM 1059 N MET A 72 -6.394 6.810 -12.229 1.00 0.00 N ATOM 1060 CA MET A 72 -6.387 5.879 -13.394 1.00 0.00 C ATOM 1061 C MET A 72 -7.468 6.283 -14.400 1.00 0.00 C ATOM 1062 O MET A 72 -7.197 6.930 -15.392 1.00 0.00 O ATOM 1063 CB MET A 72 -6.694 4.502 -12.809 1.00 0.00 C ATOM 1064 CG MET A 72 -5.489 3.585 -13.017 1.00 0.00 C ATOM 1065 SD MET A 72 -5.204 3.354 -14.789 1.00 0.00 S ATOM 1066 CE MET A 72 -4.112 1.916 -14.658 1.00 0.00 C ATOM 0 H MET A 72 -6.607 6.379 -11.329 1.00 0.00 H new ATOM 0 HA MET A 72 -5.434 5.893 -13.924 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.921 4.588 -11.746 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.576 4.078 -13.290 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.605 4.017 -12.549 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.665 2.622 -12.538 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.836 1.576 -15.656 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.213 2.191 -14.107 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.629 1.114 -14.132 1.00 0.00 H new