USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 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 19 HIS : no HD1:sc= -0.0451 X(o=-0.053,f=0) USER MOD Set 1.2: A 33 GLN : amide:sc=-0.00791 X(o=-0.053,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.237 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 6 MET CE :methyl 148:sc= -0.518 (180deg=-2.07) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.137 (180deg=-0.626) USER MOD Single : A 20 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.68) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.154 K(o=0.15,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.3) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.368 -4.384 -1.686 1.00 0.00 N ATOM 19 CA ASP A 2 -0.353 -4.998 -2.795 1.00 0.00 C ATOM 20 C ASP A 2 0.191 -4.509 -4.134 1.00 0.00 C ATOM 21 O ASP A 2 -0.325 -3.554 -4.714 1.00 0.00 O ATOM 22 CB ASP A 2 -1.847 -4.688 -2.694 1.00 0.00 C ATOM 23 CG ASP A 2 -2.505 -5.387 -1.521 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.781 -6.021 -0.725 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.745 -5.300 -1.398 1.00 0.00 O ATOM 0 HA ASP A 2 -0.209 -6.077 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.986 -3.611 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.341 -4.991 -3.617 1.00 0.00 H new ATOM 30 N ARG A 3 1.238 -5.171 -4.619 1.00 0.00 N ATOM 31 CA ARG A 3 1.853 -4.802 -5.888 1.00 0.00 C ATOM 32 C ARG A 3 1.563 -5.851 -6.957 1.00 0.00 C ATOM 33 O ARG A 3 1.428 -7.037 -6.656 1.00 0.00 O ATOM 34 CB ARG A 3 3.364 -4.636 -5.717 1.00 0.00 C ATOM 35 CG ARG A 3 3.752 -3.461 -4.835 1.00 0.00 C ATOM 36 CD ARG A 3 5.187 -3.025 -5.087 1.00 0.00 C ATOM 37 NE ARG A 3 5.300 -2.167 -6.264 1.00 0.00 N ATOM 38 CZ ARG A 3 6.429 -1.576 -6.637 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.537 -1.749 -5.929 1.00 0.00 N ATOM 40 NH2 ARG A 3 6.453 -0.810 -7.720 1.00 0.00 N ATOM 0 H ARG A 3 1.677 -5.965 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 3 1.424 -3.853 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.775 -5.551 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.820 -4.509 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.078 -2.625 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.633 -3.736 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.563 -2.493 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.816 -3.906 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 3 4.466 -2.014 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.523 -2.337 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.403 -1.294 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.603 -0.674 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.321 -0.357 -8.005 1.00 0.00 H new ATOM 54 N ILE A 4 1.470 -5.405 -8.206 1.00 0.00 N ATOM 55 CA ILE A 4 1.197 -6.306 -9.319 1.00 0.00 C ATOM 56 C ILE A 4 2.211 -6.114 -10.442 1.00 0.00 C ATOM 57 O ILE A 4 2.189 -5.105 -11.147 1.00 0.00 O ATOM 58 CB ILE A 4 -0.221 -6.092 -9.881 1.00 0.00 C ATOM 59 CG1 ILE A 4 -1.269 -6.365 -8.800 1.00 0.00 C ATOM 60 CG2 ILE A 4 -0.453 -6.988 -11.088 1.00 0.00 C ATOM 61 CD1 ILE A 4 -2.658 -5.896 -9.172 1.00 0.00 C ATOM 0 H ILE A 4 1.580 -4.426 -8.472 1.00 0.00 H new ATOM 0 HA ILE A 4 1.276 -7.321 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.316 -5.054 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.298 -7.435 -8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.963 -5.873 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.459 -6.825 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.276 -6.750 -11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.342 -8.031 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.348 -6.122 -8.359 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.644 -4.820 -9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.984 -6.407 -10.078 1.00 0.00 H new ATOM 73 N PHE A 5 3.097 -7.091 -10.604 1.00 0.00 N ATOM 74 CA PHE A 5 4.120 -7.031 -11.642 1.00 0.00 C ATOM 75 C PHE A 5 3.805 -8.007 -12.772 1.00 0.00 C ATOM 76 O PHE A 5 3.580 -9.194 -12.537 1.00 0.00 O ATOM 77 CB PHE A 5 5.496 -7.345 -11.051 1.00 0.00 C ATOM 78 CG PHE A 5 5.514 -8.580 -10.197 1.00 0.00 C ATOM 79 CD1 PHE A 5 5.247 -8.504 -8.840 1.00 0.00 C ATOM 80 CD2 PHE A 5 5.798 -9.818 -10.752 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.264 -9.639 -8.052 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.816 -10.957 -9.969 1.00 0.00 C ATOM 83 CZ PHE A 5 5.548 -10.867 -8.617 1.00 0.00 C ATOM 0 H PHE A 5 3.127 -7.934 -10.030 1.00 0.00 H new ATOM 0 HA PHE A 5 4.130 -6.020 -12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.213 -7.464 -11.863 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.829 -6.496 -10.454 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.023 -7.547 -8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.008 -9.894 -11.809 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.055 -9.566 -6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.039 -11.916 -10.414 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.560 -11.755 -8.003 1.00 0.00 H new ATOM 93 N MET A 6 3.790 -7.497 -13.999 1.00 0.00 N ATOM 94 CA MET A 6 3.503 -8.323 -15.166 1.00 0.00 C ATOM 95 C MET A 6 4.529 -8.081 -16.269 1.00 0.00 C ATOM 96 O MET A 6 5.010 -6.961 -16.449 1.00 0.00 O ATOM 97 CB MET A 6 2.096 -8.031 -15.690 1.00 0.00 C ATOM 98 CG MET A 6 1.073 -9.088 -15.304 1.00 0.00 C ATOM 99 SD MET A 6 0.653 -9.040 -13.551 1.00 0.00 S ATOM 100 CE MET A 6 -0.712 -10.197 -13.498 1.00 0.00 C ATOM 0 H MET A 6 3.973 -6.516 -14.211 1.00 0.00 H new ATOM 0 HA MET A 6 3.561 -9.369 -14.863 1.00 0.00 H new ATOM 0 HB2 MET A 6 1.769 -7.064 -15.309 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.131 -7.950 -16.776 1.00 0.00 H new ATOM 0 HG2 MET A 6 0.168 -8.945 -15.895 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.464 -10.075 -15.553 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.719 -10.707 -12.535 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.651 -9.659 -13.631 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.598 -10.930 -14.296 1.00 0.00 H new ATOM 110 N THR A 7 4.861 -9.137 -17.005 1.00 0.00 N ATOM 111 CA THR A 7 5.831 -9.039 -18.088 1.00 0.00 C ATOM 112 C THR A 7 5.177 -8.529 -19.367 1.00 0.00 C ATOM 113 O THR A 7 3.984 -8.228 -19.388 1.00 0.00 O ATOM 114 CB THR A 7 6.495 -10.400 -18.372 1.00 0.00 C ATOM 115 OG1 THR A 7 5.536 -11.308 -18.924 1.00 0.00 O ATOM 116 CG2 THR A 7 7.085 -10.990 -17.100 1.00 0.00 C ATOM 0 H THR A 7 4.472 -10.070 -16.870 1.00 0.00 H new ATOM 0 HA THR A 7 6.594 -8.331 -17.766 1.00 0.00 H new ATOM 0 HB THR A 7 7.301 -10.243 -19.089 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.967 -12.170 -19.103 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.548 -11.951 -17.325 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.836 -10.310 -16.698 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.294 -11.133 -16.364 1.00 0.00 H new ATOM 124 N ARG A 8 5.965 -8.437 -20.433 1.00 0.00 N ATOM 125 CA ARG A 8 5.462 -7.962 -21.717 1.00 0.00 C ATOM 126 C ARG A 8 4.224 -8.747 -22.139 1.00 0.00 C ATOM 127 O ARG A 8 3.212 -8.167 -22.535 1.00 0.00 O ATOM 128 CB ARG A 8 6.546 -8.084 -22.790 1.00 0.00 C ATOM 129 CG ARG A 8 7.181 -9.463 -22.861 1.00 0.00 C ATOM 130 CD ARG A 8 8.395 -9.471 -23.777 1.00 0.00 C ATOM 131 NE ARG A 8 8.019 -9.597 -25.183 1.00 0.00 N ATOM 132 CZ ARG A 8 8.896 -9.767 -26.165 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.193 -9.832 -25.897 1.00 0.00 N ATOM 134 NH2 ARG A 8 8.477 -9.874 -27.420 1.00 0.00 N ATOM 0 H ARG A 8 6.954 -8.685 -20.433 1.00 0.00 H new ATOM 0 HA ARG A 8 5.186 -6.913 -21.606 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.113 -7.842 -23.761 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.323 -7.345 -22.595 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.476 -9.781 -21.861 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.447 -10.184 -23.221 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.963 -8.551 -23.635 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.051 -10.297 -23.502 1.00 0.00 H new ATOM 0 HE ARG A 8 7.029 -9.552 -25.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.519 -9.751 -24.934 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.864 -9.963 -26.654 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.480 -9.826 -27.631 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.152 -10.005 -28.174 1.00 0.00 H new ATOM 148 N THR A 9 4.310 -10.071 -22.051 1.00 0.00 N ATOM 149 CA THR A 9 3.198 -10.936 -22.425 1.00 0.00 C ATOM 150 C THR A 9 2.143 -10.981 -21.326 1.00 0.00 C ATOM 151 O THR A 9 0.946 -10.898 -21.600 1.00 0.00 O ATOM 152 CB THR A 9 3.677 -12.370 -22.720 1.00 0.00 C ATOM 153 OG1 THR A 9 4.128 -12.994 -21.513 1.00 0.00 O ATOM 154 CG2 THR A 9 4.800 -12.366 -23.746 1.00 0.00 C ATOM 0 H THR A 9 5.139 -10.568 -21.724 1.00 0.00 H new ATOM 0 HA THR A 9 2.759 -10.514 -23.329 1.00 0.00 H new ATOM 0 HB THR A 9 2.837 -12.933 -23.127 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.429 -13.906 -21.709 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.121 -13.390 -23.938 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.444 -11.918 -24.674 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.641 -11.788 -23.363 1.00 0.00 H new ATOM 162 N GLU A 10 2.594 -11.112 -20.083 1.00 0.00 N ATOM 163 CA GLU A 10 1.687 -11.167 -18.943 1.00 0.00 C ATOM 164 C GLU A 10 0.863 -9.887 -18.840 1.00 0.00 C ATOM 165 O GLU A 10 -0.176 -9.856 -18.182 1.00 0.00 O ATOM 166 CB GLU A 10 2.472 -11.388 -17.648 1.00 0.00 C ATOM 167 CG GLU A 10 1.806 -12.363 -16.692 1.00 0.00 C ATOM 168 CD GLU A 10 1.626 -13.742 -17.297 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.557 -14.567 -17.183 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.553 -13.996 -17.884 1.00 0.00 O ATOM 0 H GLU A 10 3.582 -11.182 -19.840 1.00 0.00 H new ATOM 0 HA GLU A 10 1.006 -12.005 -19.094 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.468 -11.757 -17.895 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.603 -10.430 -17.144 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.405 -12.444 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.833 -11.970 -16.397 1.00 0.00 H new ATOM 177 N ALA A 11 1.337 -8.832 -19.495 1.00 0.00 N ATOM 178 CA ALA A 11 0.645 -7.549 -19.479 1.00 0.00 C ATOM 179 C ALA A 11 -0.837 -7.720 -19.796 1.00 0.00 C ATOM 180 O ALA A 11 -1.672 -6.930 -19.354 1.00 0.00 O ATOM 181 CB ALA A 11 1.290 -6.589 -20.468 1.00 0.00 C ATOM 0 H ALA A 11 2.197 -8.841 -20.043 1.00 0.00 H new ATOM 0 HA ALA A 11 0.730 -7.132 -18.476 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.763 -5.635 -20.445 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.334 -6.433 -20.196 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.236 -7.010 -21.472 1.00 0.00 H new ATOM 187 N LEU A 12 -1.157 -8.756 -20.564 1.00 0.00 N ATOM 188 CA LEU A 12 -2.539 -9.031 -20.940 1.00 0.00 C ATOM 189 C LEU A 12 -3.454 -8.991 -19.720 1.00 0.00 C ATOM 190 O LEU A 12 -4.534 -8.403 -19.762 1.00 0.00 O ATOM 191 CB LEU A 12 -2.641 -10.396 -21.624 1.00 0.00 C ATOM 192 CG LEU A 12 -2.145 -11.592 -20.810 1.00 0.00 C ATOM 193 CD1 LEU A 12 -3.306 -12.274 -20.103 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.411 -12.579 -21.707 1.00 0.00 C ATOM 0 H LEU A 12 -0.478 -9.419 -20.938 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.860 -8.257 -21.637 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.684 -10.570 -21.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.077 -10.357 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.448 -11.230 -20.054 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.934 -13.123 -19.529 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.790 -11.565 -19.431 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.027 -12.624 -20.842 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.065 -13.424 -21.112 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.086 -12.936 -22.485 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.556 -12.085 -22.168 1.00 0.00 H new ATOM 206 N GLU A 13 -3.013 -9.620 -18.635 1.00 0.00 N ATOM 207 CA GLU A 13 -3.792 -9.655 -17.404 1.00 0.00 C ATOM 208 C GLU A 13 -4.121 -8.242 -16.927 1.00 0.00 C ATOM 209 O GLU A 13 -5.221 -7.979 -16.443 1.00 0.00 O ATOM 210 CB GLU A 13 -3.029 -10.408 -16.312 1.00 0.00 C ATOM 211 CG GLU A 13 -3.884 -10.765 -15.107 1.00 0.00 C ATOM 212 CD GLU A 13 -3.298 -11.901 -14.292 1.00 0.00 C ATOM 213 OE1 GLU A 13 -2.431 -12.626 -14.824 1.00 0.00 O ATOM 214 OE2 GLU A 13 -3.705 -12.064 -13.123 1.00 0.00 O ATOM 0 H GLU A 13 -2.121 -10.112 -18.584 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.726 -10.177 -17.611 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.613 -11.322 -16.736 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.188 -9.798 -15.982 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.995 -9.886 -14.472 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.883 -11.042 -15.444 1.00 0.00 H new ATOM 221 N PHE A 14 -3.158 -7.338 -17.069 1.00 0.00 N ATOM 222 CA PHE A 14 -3.343 -5.953 -16.652 1.00 0.00 C ATOM 223 C PHE A 14 -4.349 -5.243 -17.553 1.00 0.00 C ATOM 224 O PHE A 14 -5.267 -4.577 -17.074 1.00 0.00 O ATOM 225 CB PHE A 14 -2.006 -5.208 -16.676 1.00 0.00 C ATOM 226 CG PHE A 14 -2.150 -3.716 -16.584 1.00 0.00 C ATOM 227 CD1 PHE A 14 -3.038 -3.146 -15.685 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.397 -2.882 -17.395 1.00 0.00 C ATOM 229 CE1 PHE A 14 -3.172 -1.774 -15.599 1.00 0.00 C ATOM 230 CE2 PHE A 14 -1.527 -1.509 -17.313 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.415 -0.954 -16.412 1.00 0.00 C ATOM 0 H PHE A 14 -2.242 -7.539 -17.469 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.732 -5.956 -15.634 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.390 -5.557 -15.848 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.476 -5.458 -17.595 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.632 -3.782 -15.045 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.700 -3.311 -18.100 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.869 -1.343 -14.896 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.935 -0.871 -17.952 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.517 0.119 -16.344 1.00 0.00 H new ATOM 241 N LEU A 15 -4.170 -5.391 -18.861 1.00 0.00 N ATOM 242 CA LEU A 15 -5.061 -4.765 -19.831 1.00 0.00 C ATOM 243 C LEU A 15 -6.512 -5.155 -19.569 1.00 0.00 C ATOM 244 O LEU A 15 -7.411 -4.314 -19.615 1.00 0.00 O ATOM 245 CB LEU A 15 -4.662 -5.165 -21.253 1.00 0.00 C ATOM 246 CG LEU A 15 -3.377 -4.535 -21.792 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.893 -5.282 -23.025 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.597 -3.063 -22.109 1.00 0.00 C ATOM 0 H LEU A 15 -3.416 -5.939 -19.274 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.970 -3.684 -19.725 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.553 -6.249 -21.287 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.480 -4.905 -21.925 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.608 -4.609 -21.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.978 -4.820 -23.395 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.695 -6.322 -22.766 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.659 -5.240 -23.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.672 -2.631 -22.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.381 -2.966 -22.860 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.896 -2.536 -21.203 1.00 0.00 H new ATOM 260 N LEU A 16 -6.734 -6.435 -19.292 1.00 0.00 N ATOM 261 CA LEU A 16 -8.076 -6.938 -19.019 1.00 0.00 C ATOM 262 C LEU A 16 -8.492 -6.628 -17.585 1.00 0.00 C ATOM 263 O LEU A 16 -9.680 -6.512 -17.283 1.00 0.00 O ATOM 264 CB LEU A 16 -8.137 -8.446 -19.266 1.00 0.00 C ATOM 265 CG LEU A 16 -9.530 -9.033 -19.494 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.444 -10.305 -20.324 1.00 0.00 C ATOM 267 CD2 LEU A 16 -10.218 -9.307 -18.165 1.00 0.00 C ATOM 0 H LEU A 16 -6.002 -7.144 -19.250 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.770 -6.438 -19.695 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.521 -8.677 -20.135 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.687 -8.952 -18.412 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.125 -8.304 -20.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.445 -10.709 -20.476 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.993 -10.079 -21.290 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.832 -11.040 -19.801 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.208 -9.724 -18.347 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.625 -10.017 -17.588 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.314 -8.376 -17.606 1.00 0.00 H new ATOM 279 N LYS A 17 -7.507 -6.495 -16.704 1.00 0.00 N ATOM 280 CA LYS A 17 -7.769 -6.195 -15.301 1.00 0.00 C ATOM 281 C LYS A 17 -8.433 -4.830 -15.152 1.00 0.00 C ATOM 282 O LYS A 17 -9.494 -4.709 -14.541 1.00 0.00 O ATOM 283 CB LYS A 17 -6.466 -6.231 -14.499 1.00 0.00 C ATOM 284 CG LYS A 17 -6.610 -5.703 -13.082 1.00 0.00 C ATOM 285 CD LYS A 17 -5.357 -5.959 -12.262 1.00 0.00 C ATOM 286 CE LYS A 17 -5.386 -7.334 -11.613 1.00 0.00 C ATOM 287 NZ LYS A 17 -6.504 -7.463 -10.637 1.00 0.00 N ATOM 0 H LYS A 17 -6.518 -6.590 -16.937 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.448 -6.954 -14.913 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.101 -7.257 -14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.711 -5.644 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.815 -4.633 -13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.465 -6.178 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.479 -5.876 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.263 -5.194 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.487 -8.098 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.438 -7.516 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.267 -8.190 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.653 -6.552 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.373 -7.737 -11.139 1.00 0.00 H new ATOM 301 N ALA A 18 -7.801 -3.805 -15.714 1.00 0.00 N ATOM 302 CA ALA A 18 -8.332 -2.449 -15.646 1.00 0.00 C ATOM 303 C ALA A 18 -9.769 -2.397 -16.153 1.00 0.00 C ATOM 304 O ALA A 18 -10.575 -1.591 -15.686 1.00 0.00 O ATOM 305 CB ALA A 18 -7.454 -1.497 -16.444 1.00 0.00 C ATOM 0 H ALA A 18 -6.920 -3.888 -16.222 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.331 -2.137 -14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.863 -0.488 -16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.444 -1.504 -16.035 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.425 -1.816 -17.486 1.00 0.00 H new ATOM 311 N HIS A 19 -10.085 -3.260 -17.113 1.00 0.00 N ATOM 312 CA HIS A 19 -11.426 -3.312 -17.684 1.00 0.00 C ATOM 313 C HIS A 19 -12.474 -3.509 -16.593 1.00 0.00 C ATOM 314 O HIS A 19 -13.467 -2.784 -16.536 1.00 0.00 O ATOM 315 CB HIS A 19 -11.523 -4.441 -18.711 1.00 0.00 C ATOM 316 CG HIS A 19 -12.778 -4.401 -19.528 1.00 0.00 C ATOM 317 ND1 HIS A 19 -13.211 -5.463 -20.294 1.00 0.00 N ATOM 318 CD2 HIS A 19 -13.696 -3.421 -19.694 1.00 0.00 C ATOM 319 CE1 HIS A 19 -14.339 -5.136 -20.898 1.00 0.00 C ATOM 320 NE2 HIS A 19 -14.656 -3.902 -20.550 1.00 0.00 N ATOM 0 H HIS A 19 -9.431 -3.933 -17.512 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.619 -2.361 -18.181 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.663 -4.389 -19.378 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.467 -5.398 -18.193 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -13.677 -2.442 -19.238 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.906 -5.770 -21.564 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -15.480 -3.390 -20.866 1.00 0.00 H new ATOM 328 N GLN A 20 -12.245 -4.494 -15.731 1.00 0.00 N ATOM 329 CA GLN A 20 -13.171 -4.787 -14.643 1.00 0.00 C ATOM 330 C GLN A 20 -13.367 -3.565 -13.752 1.00 0.00 C ATOM 331 O GLN A 20 -14.436 -3.371 -13.171 1.00 0.00 O ATOM 332 CB GLN A 20 -12.657 -5.963 -13.810 1.00 0.00 C ATOM 333 CG GLN A 20 -13.757 -6.719 -13.083 1.00 0.00 C ATOM 334 CD GLN A 20 -13.386 -8.162 -12.804 1.00 0.00 C ATOM 335 OE1 GLN A 20 -12.208 -8.519 -12.781 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.392 -9.002 -12.589 1.00 0.00 N ATOM 0 H GLN A 20 -11.427 -5.102 -15.765 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.133 -5.054 -15.080 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.123 -6.654 -14.462 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.937 -5.593 -13.079 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.978 -6.216 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.668 -6.691 -13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.354 -8.664 -12.617 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.203 -9.985 -12.395 1.00 0.00 H new ATOM 345 N THR A 21 -12.328 -2.742 -13.646 1.00 0.00 N ATOM 346 CA THR A 21 -12.385 -1.540 -12.825 1.00 0.00 C ATOM 347 C THR A 21 -13.121 -0.416 -13.546 1.00 0.00 C ATOM 348 O THR A 21 -13.930 0.293 -12.947 1.00 0.00 O ATOM 349 CB THR A 21 -10.975 -1.053 -12.443 1.00 0.00 C ATOM 350 OG1 THR A 21 -10.148 -2.169 -12.097 1.00 0.00 O ATOM 351 CG2 THR A 21 -11.036 -0.080 -11.275 1.00 0.00 C ATOM 0 H THR A 21 -11.436 -2.887 -14.119 1.00 0.00 H new ATOM 0 HA THR A 21 -12.928 -1.803 -11.917 1.00 0.00 H new ATOM 0 HB THR A 21 -10.548 -0.537 -13.303 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.253 -1.851 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.028 0.250 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.642 0.783 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.482 -0.575 -10.412 1.00 0.00 H new ATOM 359 N ALA A 22 -12.835 -0.258 -14.834 1.00 0.00 N ATOM 360 CA ALA A 22 -13.471 0.778 -15.637 1.00 0.00 C ATOM 361 C ALA A 22 -14.985 0.597 -15.667 1.00 0.00 C ATOM 362 O ALA A 22 -15.739 1.555 -15.497 1.00 0.00 O ATOM 363 CB ALA A 22 -12.908 0.772 -17.050 1.00 0.00 C ATOM 0 H ALA A 22 -12.166 -0.835 -15.344 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.256 1.743 -15.177 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.393 1.551 -17.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.835 0.959 -17.015 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.093 -0.198 -17.511 1.00 0.00 H new ATOM 369 N VAL A 23 -15.424 -0.639 -15.886 1.00 0.00 N ATOM 370 CA VAL A 23 -16.848 -0.946 -15.939 1.00 0.00 C ATOM 371 C VAL A 23 -17.532 -0.612 -14.618 1.00 0.00 C ATOM 372 O VAL A 23 -18.718 -0.282 -14.587 1.00 0.00 O ATOM 373 CB VAL A 23 -17.090 -2.431 -16.268 1.00 0.00 C ATOM 374 CG1 VAL A 23 -18.580 -2.737 -16.292 1.00 0.00 C ATOM 375 CG2 VAL A 23 -16.441 -2.795 -17.595 1.00 0.00 C ATOM 0 H VAL A 23 -14.814 -1.443 -16.029 1.00 0.00 H new ATOM 0 HA VAL A 23 -17.275 -0.331 -16.732 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.632 -3.038 -15.487 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.731 -3.791 -16.526 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.013 -2.516 -15.316 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -19.065 -2.123 -17.051 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.622 -3.848 -17.812 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.868 -2.182 -18.389 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.367 -2.616 -17.536 1.00 0.00 H new ATOM 385 N ASP A 24 -16.776 -0.699 -13.529 1.00 0.00 N ATOM 386 CA ASP A 24 -17.309 -0.404 -12.203 1.00 0.00 C ATOM 387 C ASP A 24 -17.277 1.096 -11.926 1.00 0.00 C ATOM 388 O ASP A 24 -18.175 1.639 -11.283 1.00 0.00 O ATOM 389 CB ASP A 24 -16.511 -1.150 -11.132 1.00 0.00 C ATOM 390 CG ASP A 24 -17.113 -0.995 -9.749 1.00 0.00 C ATOM 391 OD1 ASP A 24 -18.187 -1.581 -9.500 1.00 0.00 O ATOM 392 OD2 ASP A 24 -16.509 -0.288 -8.916 1.00 0.00 O ATOM 0 H ASP A 24 -15.793 -0.971 -13.538 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.346 -0.739 -12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.465 -2.208 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.486 -0.779 -11.123 1.00 0.00 H new ATOM 397 N LYS A 25 -16.236 1.760 -12.416 1.00 0.00 N ATOM 398 CA LYS A 25 -16.085 3.198 -12.222 1.00 0.00 C ATOM 399 C LYS A 25 -17.274 3.953 -12.808 1.00 0.00 C ATOM 400 O LYS A 25 -17.788 4.891 -12.198 1.00 0.00 O ATOM 401 CB LYS A 25 -14.787 3.687 -12.868 1.00 0.00 C ATOM 402 CG LYS A 25 -14.385 5.088 -12.439 1.00 0.00 C ATOM 403 CD LYS A 25 -13.822 5.098 -11.028 1.00 0.00 C ATOM 404 CE LYS A 25 -13.962 6.468 -10.382 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.962 7.436 -10.913 1.00 0.00 N ATOM 0 H LYS A 25 -15.484 1.326 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.046 3.393 -11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.983 2.995 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.900 3.666 -13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.641 5.482 -13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.251 5.748 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.341 4.354 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.771 4.812 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.967 6.851 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.840 6.375 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.090 8.357 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.002 7.083 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.095 7.544 -11.939 1.00 0.00 H new ATOM 419 N ILE A 26 -17.706 3.538 -13.994 1.00 0.00 N ATOM 420 CA ILE A 26 -18.836 4.174 -14.661 1.00 0.00 C ATOM 421 C ILE A 26 -20.139 3.895 -13.920 1.00 0.00 C ATOM 422 O ILE A 26 -21.103 4.651 -14.033 1.00 0.00 O ATOM 423 CB ILE A 26 -18.973 3.694 -16.117 1.00 0.00 C ATOM 424 CG1 ILE A 26 -19.077 2.168 -16.167 1.00 0.00 C ATOM 425 CG2 ILE A 26 -17.793 4.177 -16.948 1.00 0.00 C ATOM 426 CD1 ILE A 26 -19.395 1.629 -17.544 1.00 0.00 C ATOM 0 H ILE A 26 -17.291 2.764 -14.513 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.642 5.247 -14.658 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.886 4.116 -16.538 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.136 1.736 -15.825 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.849 1.842 -15.471 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.905 3.829 -17.975 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -17.761 5.266 -16.935 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.867 3.782 -16.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.454 0.541 -17.504 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -20.350 2.032 -17.881 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.611 1.925 -18.241 1.00 0.00 H new ATOM 438 N GLY A 27 -20.160 2.804 -13.160 1.00 0.00 N ATOM 439 CA GLY A 27 -21.349 2.445 -12.410 1.00 0.00 C ATOM 440 C GLY A 27 -22.194 1.409 -13.125 1.00 0.00 C ATOM 441 O GLY A 27 -23.421 1.419 -13.021 1.00 0.00 O ATOM 0 H GLY A 27 -19.375 2.163 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.056 2.060 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.947 3.339 -12.234 1.00 0.00 H new ATOM 445 N HIS A 28 -21.538 0.512 -13.854 1.00 0.00 N ATOM 446 CA HIS A 28 -22.237 -0.535 -14.590 1.00 0.00 C ATOM 447 C HIS A 28 -22.122 -1.875 -13.869 1.00 0.00 C ATOM 448 O HIS A 28 -21.207 -2.105 -13.078 1.00 0.00 O ATOM 449 CB HIS A 28 -21.675 -0.654 -16.007 1.00 0.00 C ATOM 450 CG HIS A 28 -22.302 0.294 -16.982 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.616 1.599 -16.667 1.00 0.00 N ATOM 452 CD2 HIS A 28 -22.672 0.120 -18.272 1.00 0.00 C ATOM 453 CE1 HIS A 28 -23.154 2.187 -17.721 1.00 0.00 C ATOM 454 NE2 HIS A 28 -23.199 1.311 -18.709 1.00 0.00 N ATOM 0 H HIS A 28 -20.523 0.489 -13.951 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.291 -0.263 -14.648 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.600 -0.475 -15.979 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.819 -1.675 -16.361 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.572 -0.787 -18.850 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.498 3.210 -17.767 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.565 1.490 -19.644 1.00 0.00 H new ATOM 462 N PRO A 29 -23.071 -2.781 -14.148 1.00 0.00 N ATOM 463 CA PRO A 29 -23.097 -4.113 -13.537 1.00 0.00 C ATOM 464 C PRO A 29 -21.964 -5.002 -14.036 1.00 0.00 C ATOM 465 O PRO A 29 -21.115 -4.565 -14.814 1.00 0.00 O ATOM 466 CB PRO A 29 -24.452 -4.677 -13.974 1.00 0.00 C ATOM 467 CG PRO A 29 -24.775 -3.952 -15.234 1.00 0.00 C ATOM 468 CD PRO A 29 -24.191 -2.574 -15.081 1.00 0.00 C ATOM 0 HA PRO A 29 -22.967 -4.068 -12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -24.398 -5.753 -14.139 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -25.215 -4.509 -13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.349 -4.462 -16.098 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.853 -3.904 -15.391 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.850 -2.174 -16.036 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.921 -1.870 -14.682 1.00 0.00 H new ATOM 476 N SER A 30 -21.956 -6.253 -13.585 1.00 0.00 N ATOM 477 CA SER A 30 -20.925 -7.203 -13.984 1.00 0.00 C ATOM 478 C SER A 30 -21.500 -8.274 -14.906 1.00 0.00 C ATOM 479 O SER A 30 -20.943 -9.365 -15.031 1.00 0.00 O ATOM 480 CB SER A 30 -20.300 -7.857 -12.750 1.00 0.00 C ATOM 481 OG SER A 30 -21.285 -8.499 -11.959 1.00 0.00 O ATOM 0 H SER A 30 -22.652 -6.632 -12.943 1.00 0.00 H new ATOM 0 HA SER A 30 -20.153 -6.658 -14.527 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.549 -8.583 -13.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.787 -7.102 -12.155 1.00 0.00 H new ATOM 0 HG SER A 30 -20.860 -8.910 -11.178 1.00 0.00 H new ATOM 487 N HIS A 31 -22.618 -7.954 -15.548 1.00 0.00 N ATOM 488 CA HIS A 31 -23.270 -8.888 -16.460 1.00 0.00 C ATOM 489 C HIS A 31 -22.327 -9.294 -17.588 1.00 0.00 C ATOM 490 O HIS A 31 -21.276 -8.683 -17.783 1.00 0.00 O ATOM 491 CB HIS A 31 -24.540 -8.265 -17.040 1.00 0.00 C ATOM 492 CG HIS A 31 -25.723 -8.353 -16.124 1.00 0.00 C ATOM 493 ND1 HIS A 31 -25.617 -8.298 -14.751 1.00 0.00 N ATOM 494 CD2 HIS A 31 -27.042 -8.492 -16.393 1.00 0.00 C ATOM 495 CE1 HIS A 31 -26.819 -8.400 -14.214 1.00 0.00 C ATOM 496 NE2 HIS A 31 -27.702 -8.519 -15.189 1.00 0.00 N ATOM 0 H HIS A 31 -23.092 -7.056 -15.454 1.00 0.00 H new ATOM 0 HA HIS A 31 -23.538 -9.781 -15.895 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -24.348 -7.217 -17.272 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -24.781 -8.761 -17.980 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -27.492 -8.568 -17.372 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -27.042 -8.388 -13.157 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -28.710 -8.615 -15.067 1.00 0.00 H new ATOM 504 N LYS A 32 -22.710 -10.328 -18.330 1.00 0.00 N ATOM 505 CA LYS A 32 -21.899 -10.816 -19.439 1.00 0.00 C ATOM 506 C LYS A 32 -21.592 -9.692 -20.424 1.00 0.00 C ATOM 507 O LYS A 32 -22.365 -8.743 -20.556 1.00 0.00 O ATOM 508 CB LYS A 32 -22.620 -11.957 -20.161 1.00 0.00 C ATOM 509 CG LYS A 32 -22.498 -13.296 -19.453 1.00 0.00 C ATOM 510 CD LYS A 32 -22.863 -14.448 -20.374 1.00 0.00 C ATOM 511 CE LYS A 32 -24.349 -14.455 -20.697 1.00 0.00 C ATOM 512 NZ LYS A 32 -25.129 -15.246 -19.704 1.00 0.00 N ATOM 0 H LYS A 32 -23.577 -10.844 -18.183 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.958 -11.187 -19.033 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.675 -11.703 -20.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.217 -12.050 -21.169 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.478 -13.426 -19.092 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.149 -13.307 -18.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -22.289 -14.372 -21.298 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.587 -15.392 -19.904 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.721 -13.431 -20.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.502 -14.870 -21.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.137 -15.226 -19.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.792 -16.230 -19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.004 -14.835 -18.757 1.00 0.00 H new ATOM 526 N GLN A 33 -20.462 -9.807 -21.113 1.00 0.00 N ATOM 527 CA GLN A 33 -20.054 -8.801 -22.086 1.00 0.00 C ATOM 528 C GLN A 33 -21.148 -8.573 -23.124 1.00 0.00 C ATOM 529 O GLN A 33 -21.542 -9.495 -23.839 1.00 0.00 O ATOM 530 CB GLN A 33 -18.758 -9.225 -22.778 1.00 0.00 C ATOM 531 CG GLN A 33 -17.926 -8.056 -23.280 1.00 0.00 C ATOM 532 CD GLN A 33 -17.048 -7.457 -22.199 1.00 0.00 C ATOM 533 OE1 GLN A 33 -15.909 -7.880 -22.003 1.00 0.00 O ATOM 534 NE2 GLN A 33 -17.576 -6.466 -21.490 1.00 0.00 N ATOM 0 H GLN A 33 -19.812 -10.587 -21.016 1.00 0.00 H new ATOM 0 HA GLN A 33 -19.883 -7.866 -21.553 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.160 -9.813 -22.082 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.001 -9.875 -23.619 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.300 -8.390 -24.108 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.589 -7.285 -23.673 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.525 -6.147 -21.687 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.033 -6.024 -20.749 1.00 0.00 H new ATOM 543 N THR A 34 -21.636 -7.339 -23.202 1.00 0.00 N ATOM 544 CA THR A 34 -22.685 -6.990 -24.151 1.00 0.00 C ATOM 545 C THR A 34 -22.267 -7.322 -25.579 1.00 0.00 C ATOM 546 O THR A 34 -21.084 -7.463 -25.888 1.00 0.00 O ATOM 547 CB THR A 34 -23.044 -5.494 -24.068 1.00 0.00 C ATOM 548 OG1 THR A 34 -21.887 -4.733 -23.704 1.00 0.00 O ATOM 549 CG2 THR A 34 -24.152 -5.259 -23.053 1.00 0.00 C ATOM 0 H THR A 34 -21.321 -6.564 -22.618 1.00 0.00 H new ATOM 0 HA THR A 34 -23.561 -7.581 -23.885 1.00 0.00 H new ATOM 0 HB THR A 34 -23.397 -5.172 -25.048 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.122 -3.783 -23.655 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.388 -4.196 -23.012 1.00 0.00 H new ATOM 0 HG22 THR A 34 -25.040 -5.817 -23.348 1.00 0.00 H new ATOM 0 HG23 THR A 34 -23.822 -5.596 -22.070 1.00 0.00 H new ATOM 557 N PRO A 35 -23.260 -7.450 -26.473 1.00 0.00 N ATOM 558 CA PRO A 35 -23.019 -7.766 -27.884 1.00 0.00 C ATOM 559 C PRO A 35 -22.361 -6.611 -28.632 1.00 0.00 C ATOM 560 O PRO A 35 -21.772 -6.804 -29.695 1.00 0.00 O ATOM 561 CB PRO A 35 -24.423 -8.029 -28.433 1.00 0.00 C ATOM 562 CG PRO A 35 -25.331 -7.261 -27.535 1.00 0.00 C ATOM 563 CD PRO A 35 -24.693 -7.295 -26.174 1.00 0.00 C ATOM 0 HA PRO A 35 -22.336 -8.607 -28.003 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.513 -7.695 -29.467 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.660 -9.093 -28.420 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.450 -6.236 -27.885 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.325 -7.707 -27.511 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -24.890 -6.380 -25.615 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.070 -8.123 -25.574 1.00 0.00 H new ATOM 571 N ALA A 36 -22.467 -5.412 -28.070 1.00 0.00 N ATOM 572 CA ALA A 36 -21.880 -4.226 -28.683 1.00 0.00 C ATOM 573 C ALA A 36 -20.369 -4.194 -28.481 1.00 0.00 C ATOM 574 O ALA A 36 -19.641 -3.587 -29.266 1.00 0.00 O ATOM 575 CB ALA A 36 -22.518 -2.967 -28.115 1.00 0.00 C ATOM 0 H ALA A 36 -22.954 -5.236 -27.191 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.076 -4.267 -29.755 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.070 -2.090 -28.582 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.589 -2.979 -28.317 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.353 -2.929 -27.038 1.00 0.00 H new ATOM 581 N ASP A 37 -19.905 -4.850 -27.423 1.00 0.00 N ATOM 582 CA ASP A 37 -18.480 -4.896 -27.117 1.00 0.00 C ATOM 583 C ASP A 37 -17.687 -5.438 -28.302 1.00 0.00 C ATOM 584 O ASP A 37 -16.506 -5.130 -28.466 1.00 0.00 O ATOM 585 CB ASP A 37 -18.229 -5.762 -25.882 1.00 0.00 C ATOM 586 CG ASP A 37 -16.848 -5.548 -25.294 1.00 0.00 C ATOM 587 OD1 ASP A 37 -16.573 -4.427 -24.819 1.00 0.00 O ATOM 588 OD2 ASP A 37 -16.043 -6.502 -25.310 1.00 0.00 O ATOM 0 H ASP A 37 -20.495 -5.357 -26.763 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.145 -3.879 -26.912 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -18.981 -5.537 -25.126 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.348 -6.812 -26.148 1.00 0.00 H new ATOM 593 N HIS A 38 -18.344 -6.247 -29.127 1.00 0.00 N ATOM 594 CA HIS A 38 -17.700 -6.832 -30.298 1.00 0.00 C ATOM 595 C HIS A 38 -17.053 -5.752 -31.159 1.00 0.00 C ATOM 596 O HIS A 38 -15.929 -5.913 -31.633 1.00 0.00 O ATOM 597 CB HIS A 38 -18.717 -7.619 -31.125 1.00 0.00 C ATOM 598 CG HIS A 38 -18.165 -8.139 -32.416 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.472 -7.589 -33.643 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.318 -9.165 -32.668 1.00 0.00 C ATOM 601 CE1 HIS A 38 -17.840 -8.254 -34.593 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.133 -9.216 -34.028 1.00 0.00 N ATOM 0 H HIS A 38 -19.321 -6.512 -29.007 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.920 -7.511 -29.952 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.084 -8.457 -30.533 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.574 -6.979 -31.337 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -16.871 -9.821 -31.936 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.892 -8.047 -35.652 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.545 -9.888 -34.522 1.00 0.00 H new ATOM 610 N ALA A 39 -17.771 -4.651 -31.358 1.00 0.00 N ATOM 611 CA ALA A 39 -17.266 -3.544 -32.160 1.00 0.00 C ATOM 612 C ALA A 39 -16.199 -2.760 -31.405 1.00 0.00 C ATOM 613 O ALA A 39 -15.307 -2.167 -32.010 1.00 0.00 O ATOM 614 CB ALA A 39 -18.408 -2.626 -32.570 1.00 0.00 C ATOM 0 H ALA A 39 -18.704 -4.502 -30.974 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.807 -3.958 -33.058 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.017 -1.803 -33.169 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.134 -3.188 -33.157 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.893 -2.228 -31.679 1.00 0.00 H new ATOM 620 N ALA A 40 -16.297 -2.762 -30.079 1.00 0.00 N ATOM 621 CA ALA A 40 -15.339 -2.052 -29.241 1.00 0.00 C ATOM 622 C ALA A 40 -13.927 -2.592 -29.443 1.00 0.00 C ATOM 623 O ALA A 40 -12.944 -1.884 -29.223 1.00 0.00 O ATOM 624 CB ALA A 40 -15.741 -2.154 -27.777 1.00 0.00 C ATOM 0 H ALA A 40 -17.030 -3.248 -29.563 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.344 -1.002 -29.535 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.017 -1.619 -27.163 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.729 -1.714 -27.639 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.766 -3.202 -27.479 1.00 0.00 H new ATOM 630 N ILE A 41 -13.834 -3.850 -29.861 1.00 0.00 N ATOM 631 CA ILE A 41 -12.542 -4.484 -30.093 1.00 0.00 C ATOM 632 C ILE A 41 -11.719 -3.701 -31.109 1.00 0.00 C ATOM 633 O ILE A 41 -10.491 -3.767 -31.111 1.00 0.00 O ATOM 634 CB ILE A 41 -12.707 -5.933 -30.589 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.541 -6.744 -29.595 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.346 -6.579 -30.797 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.016 -8.070 -30.146 1.00 0.00 C ATOM 0 H ILE A 41 -14.638 -4.450 -30.046 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.019 -4.493 -29.137 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.230 -5.917 -31.545 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.949 -6.924 -28.698 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.406 -6.154 -29.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.479 -7.603 -31.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.783 -6.012 -31.538 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.799 -6.586 -29.854 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.601 -8.591 -29.388 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -14.635 -7.897 -31.026 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.155 -8.679 -30.422 1.00 0.00 H new ATOM 649 N GLU A 42 -12.406 -2.957 -31.972 1.00 0.00 N ATOM 650 CA GLU A 42 -11.738 -2.160 -32.993 1.00 0.00 C ATOM 651 C GLU A 42 -10.695 -1.238 -32.368 1.00 0.00 C ATOM 652 O GLU A 42 -9.663 -0.949 -32.974 1.00 0.00 O ATOM 653 CB GLU A 42 -12.760 -1.334 -33.777 1.00 0.00 C ATOM 654 CG GLU A 42 -13.335 -0.170 -32.988 1.00 0.00 C ATOM 655 CD GLU A 42 -14.609 0.377 -33.601 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.745 0.319 -34.841 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.472 0.864 -32.840 1.00 0.00 O ATOM 0 H GLU A 42 -13.424 -2.890 -31.983 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.232 -2.842 -33.676 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.288 -0.951 -34.682 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.575 -1.985 -34.094 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.537 -0.493 -31.967 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.593 0.626 -32.930 1.00 0.00 H new ATOM 664 N ALA A 43 -10.972 -0.779 -31.152 1.00 0.00 N ATOM 665 CA ALA A 43 -10.058 0.108 -30.443 1.00 0.00 C ATOM 666 C ALA A 43 -8.966 -0.683 -29.732 1.00 0.00 C ATOM 667 O ALA A 43 -7.828 -0.226 -29.619 1.00 0.00 O ATOM 668 CB ALA A 43 -10.824 0.968 -29.448 1.00 0.00 C ATOM 0 H ALA A 43 -11.823 -1.007 -30.637 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.580 0.758 -31.176 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.130 1.626 -28.925 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.563 1.568 -29.979 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.329 0.327 -28.726 1.00 0.00 H new ATOM 674 N LEU A 44 -9.319 -1.871 -29.254 1.00 0.00 N ATOM 675 CA LEU A 44 -8.368 -2.726 -28.552 1.00 0.00 C ATOM 676 C LEU A 44 -7.205 -3.109 -29.462 1.00 0.00 C ATOM 677 O LEU A 44 -6.102 -3.390 -28.993 1.00 0.00 O ATOM 678 CB LEU A 44 -9.067 -3.987 -28.040 1.00 0.00 C ATOM 679 CG LEU A 44 -10.209 -3.765 -27.048 1.00 0.00 C ATOM 680 CD1 LEU A 44 -10.952 -5.067 -26.790 1.00 0.00 C ATOM 681 CD2 LEU A 44 -9.679 -3.184 -25.745 1.00 0.00 C ATOM 0 H LEU A 44 -10.256 -2.264 -29.340 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.972 -2.168 -27.704 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.458 -4.535 -28.897 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.321 -4.626 -27.567 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.909 -3.051 -27.483 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.761 -4.890 -26.082 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.365 -5.442 -27.726 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.263 -5.803 -26.377 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.506 -3.033 -25.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.958 -3.874 -25.306 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.193 -2.229 -25.944 1.00 0.00 H new ATOM 693 N ASP A 45 -7.459 -3.117 -30.766 1.00 0.00 N ATOM 694 CA ASP A 45 -6.433 -3.462 -31.743 1.00 0.00 C ATOM 695 C ASP A 45 -5.173 -2.632 -31.524 1.00 0.00 C ATOM 696 O ASP A 45 -4.060 -3.098 -31.769 1.00 0.00 O ATOM 697 CB ASP A 45 -6.959 -3.248 -33.163 1.00 0.00 C ATOM 698 CG ASP A 45 -5.884 -3.445 -34.214 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.570 -4.612 -34.531 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.357 -2.432 -34.720 1.00 0.00 O ATOM 0 H ASP A 45 -8.367 -2.888 -31.171 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.180 -4.514 -31.612 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.779 -3.941 -33.352 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.367 -2.241 -33.249 1.00 0.00 H new ATOM 705 N ARG A 46 -5.355 -1.399 -31.061 1.00 0.00 N ATOM 706 CA ARG A 46 -4.233 -0.503 -30.810 1.00 0.00 C ATOM 707 C ARG A 46 -3.359 -1.030 -29.675 1.00 0.00 C ATOM 708 O ARG A 46 -2.154 -1.218 -29.841 1.00 0.00 O ATOM 709 CB ARG A 46 -4.739 0.900 -30.470 1.00 0.00 C ATOM 710 CG ARG A 46 -3.695 1.988 -30.666 1.00 0.00 C ATOM 711 CD ARG A 46 -4.324 3.372 -30.648 1.00 0.00 C ATOM 712 NE ARG A 46 -3.340 4.416 -30.373 1.00 0.00 N ATOM 713 CZ ARG A 46 -3.620 5.715 -30.399 1.00 0.00 C ATOM 714 NH1 ARG A 46 -4.847 6.126 -30.685 1.00 0.00 N ATOM 715 NH2 ARG A 46 -2.671 6.604 -30.138 1.00 0.00 N ATOM 0 H ARG A 46 -6.269 -0.998 -30.852 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.630 -0.454 -31.717 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.606 1.125 -31.091 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.076 0.914 -29.434 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.943 1.918 -29.880 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.180 1.833 -31.614 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.800 3.566 -31.609 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.108 3.404 -29.891 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.386 4.133 -30.149 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.579 5.445 -30.886 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.059 7.123 -30.704 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.726 6.291 -29.917 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.886 7.601 -30.158 1.00 0.00 H new ATOM 729 N LEU A 47 -3.976 -1.265 -28.522 1.00 0.00 N ATOM 730 CA LEU A 47 -3.255 -1.769 -27.358 1.00 0.00 C ATOM 731 C LEU A 47 -2.520 -3.064 -27.692 1.00 0.00 C ATOM 732 O LEU A 47 -1.326 -3.199 -27.422 1.00 0.00 O ATOM 733 CB LEU A 47 -4.222 -2.004 -26.197 1.00 0.00 C ATOM 734 CG LEU A 47 -5.189 -0.860 -25.887 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.105 -1.233 -24.732 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.422 0.416 -25.572 1.00 0.00 C ATOM 0 H LEU A 47 -4.973 -1.115 -28.368 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.520 -1.020 -27.064 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.806 -2.899 -26.412 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.638 -2.213 -25.301 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.805 -0.682 -26.768 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.786 -0.407 -24.526 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.681 -2.120 -24.996 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.506 -1.440 -23.845 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.126 1.219 -25.354 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.781 0.251 -24.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.809 0.693 -26.430 1.00 0.00 H new ATOM 748 N LEU A 48 -3.240 -4.011 -28.282 1.00 0.00 N ATOM 749 CA LEU A 48 -2.656 -5.295 -28.655 1.00 0.00 C ATOM 750 C LEU A 48 -1.455 -5.100 -29.575 1.00 0.00 C ATOM 751 O LEU A 48 -0.375 -5.637 -29.327 1.00 0.00 O ATOM 752 CB LEU A 48 -3.703 -6.173 -29.343 1.00 0.00 C ATOM 753 CG LEU A 48 -5.008 -6.387 -28.576 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.074 -6.972 -29.489 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.778 -7.291 -27.373 1.00 0.00 C ATOM 0 H LEU A 48 -4.229 -3.915 -28.513 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.317 -5.790 -27.745 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.942 -5.729 -30.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.257 -7.148 -29.541 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.358 -5.420 -28.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.996 -7.117 -28.926 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.259 -6.288 -30.317 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.732 -7.931 -29.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.718 -7.432 -26.839 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.404 -8.257 -27.710 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.048 -6.832 -26.707 1.00 0.00 H new ATOM 767 N LEU A 49 -1.650 -4.327 -30.638 1.00 0.00 N ATOM 768 CA LEU A 49 -0.583 -4.058 -31.595 1.00 0.00 C ATOM 769 C LEU A 49 0.630 -3.448 -30.901 1.00 0.00 C ATOM 770 O LEU A 49 1.763 -3.877 -31.118 1.00 0.00 O ATOM 771 CB LEU A 49 -1.082 -3.120 -32.695 1.00 0.00 C ATOM 772 CG LEU A 49 -0.031 -2.644 -33.699 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.396 -3.787 -34.607 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.566 -1.479 -34.520 1.00 0.00 C ATOM 0 H LEU A 49 -2.538 -3.875 -30.859 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.283 -5.005 -32.043 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.877 -3.626 -33.243 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.528 -2.244 -32.223 1.00 0.00 H new ATOM 0 HG LEU A 49 0.843 -2.301 -33.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.144 -3.430 -35.315 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.821 -4.591 -34.005 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.470 -4.161 -35.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.195 -1.154 -35.229 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.456 -1.795 -35.063 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.821 -0.653 -33.856 1.00 0.00 H new ATOM 786 N ASP A 50 0.384 -2.445 -30.065 1.00 0.00 N ATOM 787 CA ASP A 50 1.456 -1.777 -29.336 1.00 0.00 C ATOM 788 C ASP A 50 2.252 -2.777 -28.503 1.00 0.00 C ATOM 789 O ASP A 50 3.448 -2.971 -28.723 1.00 0.00 O ATOM 790 CB ASP A 50 0.883 -0.684 -28.432 1.00 0.00 C ATOM 791 CG ASP A 50 0.465 0.549 -29.209 1.00 0.00 C ATOM 792 OD1 ASP A 50 1.317 1.117 -29.924 1.00 0.00 O ATOM 793 OD2 ASP A 50 -0.714 0.945 -29.103 1.00 0.00 O ATOM 0 H ASP A 50 -0.548 -2.077 -29.875 1.00 0.00 H new ATOM 0 HA ASP A 50 2.127 -1.321 -30.064 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.023 -1.078 -27.891 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.628 -0.405 -27.687 1.00 0.00 H new ATOM 798 N VAL A 51 1.581 -3.409 -27.545 1.00 0.00 N ATOM 799 CA VAL A 51 2.226 -4.389 -26.679 1.00 0.00 C ATOM 800 C VAL A 51 2.920 -5.472 -27.497 1.00 0.00 C ATOM 801 O VAL A 51 3.937 -6.025 -27.077 1.00 0.00 O ATOM 802 CB VAL A 51 1.211 -5.051 -25.728 1.00 0.00 C ATOM 803 CG1 VAL A 51 1.898 -6.086 -24.850 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.513 -3.999 -24.879 1.00 0.00 C ATOM 0 H VAL A 51 0.591 -3.260 -27.349 1.00 0.00 H new ATOM 0 HA VAL A 51 2.968 -3.851 -26.089 1.00 0.00 H new ATOM 0 HB VAL A 51 0.457 -5.561 -26.327 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.165 -6.543 -24.185 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.347 -6.855 -25.478 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.674 -5.602 -24.257 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.201 -4.484 -24.213 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.253 -3.459 -24.288 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.014 -3.299 -25.527 1.00 0.00 H new ATOM 814 N ARG A 52 2.365 -5.770 -28.667 1.00 0.00 N ATOM 815 CA ARG A 52 2.930 -6.788 -29.544 1.00 0.00 C ATOM 816 C ARG A 52 4.190 -6.273 -30.234 1.00 0.00 C ATOM 817 O ARG A 52 5.110 -7.038 -30.520 1.00 0.00 O ATOM 818 CB ARG A 52 1.902 -7.218 -30.591 1.00 0.00 C ATOM 819 CG ARG A 52 2.470 -8.134 -31.664 1.00 0.00 C ATOM 820 CD ARG A 52 1.370 -8.728 -32.529 1.00 0.00 C ATOM 821 NE ARG A 52 1.844 -9.867 -33.311 1.00 0.00 N ATOM 822 CZ ARG A 52 1.045 -10.651 -34.026 1.00 0.00 C ATOM 823 NH1 ARG A 52 -0.260 -10.420 -34.058 1.00 0.00 N ATOM 824 NH2 ARG A 52 1.551 -11.668 -34.711 1.00 0.00 N ATOM 0 H ARG A 52 1.524 -5.321 -29.030 1.00 0.00 H new ATOM 0 HA ARG A 52 3.198 -7.650 -28.933 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.078 -7.726 -30.091 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.487 -6.329 -31.067 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.165 -7.575 -32.291 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.039 -8.937 -31.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.541 -9.043 -31.895 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.984 -7.962 -33.202 1.00 0.00 H new ATOM 0 HE ARG A 52 2.843 -10.072 -33.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.653 -9.639 -33.533 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.871 -11.024 -34.608 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.555 -11.849 -34.689 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.936 -12.269 -35.260 1.00 0.00 H new ATOM 838 N ALA A 53 4.222 -4.971 -30.499 1.00 0.00 N ATOM 839 CA ALA A 53 5.368 -4.353 -31.154 1.00 0.00 C ATOM 840 C ALA A 53 6.327 -3.753 -30.131 1.00 0.00 C ATOM 841 O ALA A 53 7.059 -2.809 -30.431 1.00 0.00 O ATOM 842 CB ALA A 53 4.904 -3.286 -32.134 1.00 0.00 C ATOM 0 H ALA A 53 3.467 -4.324 -30.270 1.00 0.00 H new ATOM 0 HA ALA A 53 5.902 -5.128 -31.704 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.770 -2.833 -32.616 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.264 -3.740 -32.891 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.344 -2.519 -31.599 1.00 0.00 H new ATOM 848 N ARG A 54 6.319 -4.307 -28.923 1.00 0.00 N ATOM 849 CA ARG A 54 7.187 -3.824 -27.856 1.00 0.00 C ATOM 850 C ARG A 54 7.016 -2.322 -27.653 1.00 0.00 C ATOM 851 O ARG A 54 7.991 -1.571 -27.652 1.00 0.00 O ATOM 852 CB ARG A 54 8.648 -4.144 -28.175 1.00 0.00 C ATOM 853 CG ARG A 54 8.898 -5.611 -28.481 1.00 0.00 C ATOM 854 CD ARG A 54 10.266 -5.824 -29.111 1.00 0.00 C ATOM 855 NE ARG A 54 10.386 -5.146 -30.399 1.00 0.00 N ATOM 856 CZ ARG A 54 11.387 -5.353 -31.248 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.349 -6.214 -30.946 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.427 -4.699 -32.401 1.00 0.00 N ATOM 0 H ARG A 54 5.721 -5.090 -28.659 1.00 0.00 H new ATOM 0 HA ARG A 54 6.904 -4.331 -26.934 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.964 -3.545 -29.029 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.269 -3.847 -27.330 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.825 -6.193 -27.562 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.125 -5.980 -29.155 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.038 -5.457 -28.435 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.441 -6.891 -29.245 1.00 0.00 H new ATOM 0 HE ARG A 54 9.662 -4.477 -30.661 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.322 -6.719 -30.060 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.116 -6.371 -31.599 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.689 -4.036 -32.637 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.196 -4.859 -33.052 1.00 0.00 H new ATOM 872 N ARG A 55 5.770 -1.891 -27.481 1.00 0.00 N ATOM 873 CA ARG A 55 5.471 -0.478 -27.279 1.00 0.00 C ATOM 874 C ARG A 55 4.682 -0.269 -25.990 1.00 0.00 C ATOM 875 O ARG A 55 3.936 0.702 -25.858 1.00 0.00 O ATOM 876 CB ARG A 55 4.683 0.073 -28.468 1.00 0.00 C ATOM 877 CG ARG A 55 5.525 0.271 -29.718 1.00 0.00 C ATOM 878 CD ARG A 55 4.879 1.262 -30.674 1.00 0.00 C ATOM 879 NE ARG A 55 3.755 0.673 -31.396 1.00 0.00 N ATOM 880 CZ ARG A 55 3.011 1.341 -32.270 1.00 0.00 C ATOM 881 NH1 ARG A 55 3.272 2.615 -32.530 1.00 0.00 N ATOM 882 NH2 ARG A 55 2.005 0.736 -32.887 1.00 0.00 N ATOM 0 H ARG A 55 4.952 -2.500 -27.478 1.00 0.00 H new ATOM 0 HA ARG A 55 6.415 0.060 -27.198 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.863 -0.608 -28.697 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.236 1.027 -28.186 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.516 0.628 -29.438 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.661 -0.686 -30.222 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.535 2.133 -30.116 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.623 1.615 -31.388 1.00 0.00 H new ATOM 0 HE ARG A 55 3.529 -0.306 -31.219 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.045 3.084 -32.058 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.699 3.126 -33.202 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.802 -0.244 -32.691 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.435 1.251 -33.558 1.00 0.00 H new ATOM 896 N VAL A 56 4.851 -1.186 -25.043 1.00 0.00 N ATOM 897 CA VAL A 56 4.155 -1.101 -23.764 1.00 0.00 C ATOM 898 C VAL A 56 5.083 -0.593 -22.667 1.00 0.00 C ATOM 899 O VAL A 56 6.296 -0.795 -22.722 1.00 0.00 O ATOM 900 CB VAL A 56 3.583 -2.469 -23.346 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.707 -3.447 -23.041 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.659 -2.314 -22.146 1.00 0.00 C ATOM 0 H VAL A 56 5.464 -1.996 -25.137 1.00 0.00 H new ATOM 0 HA VAL A 56 3.334 -0.397 -23.895 1.00 0.00 H new ATOM 0 HB VAL A 56 3.001 -2.870 -24.176 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.284 -4.408 -22.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.325 -3.579 -23.929 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.319 -3.056 -22.228 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.263 -3.289 -21.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.216 -1.892 -21.310 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.835 -1.649 -22.405 1.00 0.00 H new ATOM 912 N ASP A 57 4.504 0.068 -21.670 1.00 0.00 N ATOM 913 CA ASP A 57 5.278 0.604 -20.557 1.00 0.00 C ATOM 914 C ASP A 57 4.484 0.530 -19.256 1.00 0.00 C ATOM 915 O ASP A 57 3.324 0.119 -19.250 1.00 0.00 O ATOM 916 CB ASP A 57 5.682 2.052 -20.840 1.00 0.00 C ATOM 917 CG ASP A 57 6.985 2.432 -20.164 1.00 0.00 C ATOM 918 OD1 ASP A 57 8.054 2.014 -20.657 1.00 0.00 O ATOM 919 OD2 ASP A 57 6.936 3.149 -19.143 1.00 0.00 O ATOM 0 H ASP A 57 3.501 0.245 -21.610 1.00 0.00 H new ATOM 0 HA ASP A 57 6.177 -0.002 -20.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.779 2.195 -21.916 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.891 2.720 -20.499 1.00 0.00 H new ATOM 924 N GLN A 58 5.118 0.929 -18.158 1.00 0.00 N ATOM 925 CA GLN A 58 4.470 0.906 -16.852 1.00 0.00 C ATOM 926 C GLN A 58 3.872 2.268 -16.517 1.00 0.00 C ATOM 927 O GLN A 58 4.398 3.305 -16.921 1.00 0.00 O ATOM 928 CB GLN A 58 5.471 0.494 -15.771 1.00 0.00 C ATOM 929 CG GLN A 58 6.475 1.582 -15.426 1.00 0.00 C ATOM 930 CD GLN A 58 7.509 1.123 -14.417 1.00 0.00 C ATOM 931 OE1 GLN A 58 7.396 1.404 -13.223 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.525 0.412 -14.891 1.00 0.00 N ATOM 0 H GLN A 58 6.079 1.272 -18.147 1.00 0.00 H new ATOM 0 HA GLN A 58 3.662 0.175 -16.887 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.925 0.215 -14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.009 -0.393 -16.105 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.980 1.907 -16.336 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.945 2.448 -15.029 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.579 0.202 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.251 0.076 -14.259 1.00 0.00 H new ATOM 941 N PHE A 59 2.769 2.258 -15.775 1.00 0.00 N ATOM 942 CA PHE A 59 2.098 3.493 -15.387 1.00 0.00 C ATOM 943 C PHE A 59 1.072 3.232 -14.287 1.00 0.00 C ATOM 944 O PHE A 59 0.453 2.169 -14.242 1.00 0.00 O ATOM 945 CB PHE A 59 1.413 4.130 -16.598 1.00 0.00 C ATOM 946 CG PHE A 59 0.715 5.421 -16.282 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.442 6.578 -16.050 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.668 5.479 -16.216 1.00 0.00 C ATOM 949 CE1 PHE A 59 0.802 7.768 -15.758 1.00 0.00 C ATOM 950 CE2 PHE A 59 -1.313 6.666 -15.925 1.00 0.00 C ATOM 951 CZ PHE A 59 -0.578 7.812 -15.697 1.00 0.00 C ATOM 0 H PHE A 59 2.321 1.409 -15.431 1.00 0.00 H new ATOM 0 HA PHE A 59 2.851 4.180 -15.002 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.158 4.309 -17.374 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.689 3.426 -17.008 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.521 6.550 -16.098 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.249 4.586 -16.394 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.380 8.662 -15.578 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.391 6.697 -15.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.080 8.741 -15.471 1.00 0.00 H new ATOM 961 N GLN A 60 0.900 4.209 -13.403 1.00 0.00 N ATOM 962 CA GLN A 60 -0.049 4.085 -12.304 1.00 0.00 C ATOM 963 C GLN A 60 -1.260 4.986 -12.524 1.00 0.00 C ATOM 964 O GLN A 60 -1.124 6.124 -12.974 1.00 0.00 O ATOM 965 CB GLN A 60 0.627 4.434 -10.977 1.00 0.00 C ATOM 966 CG GLN A 60 0.957 5.911 -10.832 1.00 0.00 C ATOM 967 CD GLN A 60 1.638 6.231 -9.517 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.855 6.414 -9.463 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.856 6.301 -8.446 1.00 0.00 N ATOM 0 H GLN A 60 1.405 5.095 -13.427 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.391 3.051 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.025 4.134 -10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.545 3.854 -10.883 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.603 6.217 -11.655 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.039 6.494 -10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.148 6.142 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.259 6.513 -7.533 1.00 0.00 H new ATOM 978 N ILE A 61 -2.442 4.470 -12.205 1.00 0.00 N ATOM 979 CA ILE A 61 -3.675 5.229 -12.368 1.00 0.00 C ATOM 980 C ILE A 61 -3.930 6.129 -11.163 1.00 0.00 C ATOM 981 O ILE A 61 -4.328 7.283 -11.311 1.00 0.00 O ATOM 982 CB ILE A 61 -4.887 4.299 -12.565 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.665 3.388 -13.774 1.00 0.00 C ATOM 984 CG2 ILE A 61 -6.159 5.116 -12.737 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.619 2.214 -13.829 1.00 0.00 C ATOM 0 H ILE A 61 -2.572 3.529 -11.832 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.551 5.845 -13.259 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.997 3.675 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.771 3.975 -14.686 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.642 3.014 -13.754 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.007 4.445 -12.875 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.321 5.728 -11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.061 5.762 -13.610 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.404 1.611 -14.711 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.497 1.604 -12.934 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.644 2.580 -13.881 1.00 0.00 H new ATOM 997 N ASN A 62 -3.697 5.591 -9.970 1.00 0.00 N ATOM 998 CA ASN A 62 -3.900 6.346 -8.739 1.00 0.00 C ATOM 999 C ASN A 62 -3.337 5.591 -7.539 1.00 0.00 C ATOM 1000 O ASN A 62 -3.120 4.381 -7.600 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.389 6.624 -8.527 1.00 0.00 C ATOM 1002 CG ASN A 62 -5.632 7.777 -7.571 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -5.915 7.570 -6.391 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -5.522 8.999 -8.078 1.00 0.00 N ATOM 0 H ASN A 62 -3.368 4.636 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.369 7.294 -8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.854 6.847 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.872 5.727 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.674 9.814 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.285 9.123 -9.062 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.102 6.314 -6.449 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.566 5.712 -5.234 1.00 0.00 C ATOM 1013 C ALA A 63 -3.598 4.808 -4.568 1.00 0.00 C ATOM 1014 O ALA A 63 -3.247 3.877 -3.843 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.107 6.794 -4.267 1.00 0.00 C ATOM 0 H ALA A 63 -3.274 7.317 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.708 5.099 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.709 6.330 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.331 7.397 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.952 7.431 -4.006 1.00 0.00 H new ATOM 1021 N SER A 64 -4.873 5.089 -4.817 1.00 0.00 N ATOM 1022 CA SER A 64 -5.957 4.304 -4.238 1.00 0.00 C ATOM 1023 C SER A 64 -6.128 2.983 -4.981 1.00 0.00 C ATOM 1024 O SER A 64 -6.415 1.950 -4.376 1.00 0.00 O ATOM 1025 CB SER A 64 -7.265 5.096 -4.275 1.00 0.00 C ATOM 1026 OG SER A 64 -7.395 5.920 -3.129 1.00 0.00 O ATOM 0 H SER A 64 -5.181 5.855 -5.416 1.00 0.00 H new ATOM 0 HA SER A 64 -5.701 4.087 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.296 5.711 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.109 4.408 -4.330 1.00 0.00 H new ATOM 0 HG SER A 64 -8.238 6.417 -3.177 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.948 3.024 -6.297 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.081 1.831 -7.124 1.00 0.00 C ATOM 1034 C ALA A 65 -4.882 0.904 -6.946 1.00 0.00 C ATOM 1035 O ALA A 65 -3.930 1.235 -6.240 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.239 2.217 -8.587 1.00 0.00 C ATOM 0 H ALA A 65 -5.710 3.871 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.974 1.294 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.337 1.316 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.130 2.833 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.363 2.779 -8.912 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.937 -0.257 -7.590 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.856 -1.230 -7.504 1.00 0.00 C ATOM 1044 C ALA A 66 -2.619 -0.745 -8.253 1.00 0.00 C ATOM 1045 O ALA A 66 -2.722 0.043 -9.193 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.312 -2.575 -8.049 1.00 0.00 C ATOM 0 H ALA A 66 -5.719 -0.546 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.589 -1.348 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.494 -3.292 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.161 -2.934 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.608 -2.463 -9.092 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.453 -1.220 -7.830 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.197 -0.833 -8.461 1.00 0.00 C ATOM 1054 C GLN A 67 0.231 -1.864 -9.500 1.00 0.00 C ATOM 1055 O GLN A 67 0.670 -2.962 -9.155 1.00 0.00 O ATOM 1056 CB GLN A 67 0.899 -0.669 -7.407 1.00 0.00 C ATOM 1057 CG GLN A 67 2.198 -0.107 -7.961 1.00 0.00 C ATOM 1058 CD GLN A 67 2.116 1.379 -8.249 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.153 2.045 -7.866 1.00 0.00 O ATOM 1060 NE2 GLN A 67 3.127 1.909 -8.927 1.00 0.00 N ATOM 0 H GLN A 67 -1.351 -1.873 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.352 0.121 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.536 -0.011 -6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.098 -1.638 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.002 -0.291 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.457 -0.637 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.905 1.321 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.126 2.904 -9.150 1.00 0.00 H new ATOM 1069 N ILE A 68 0.101 -1.504 -10.772 1.00 0.00 N ATOM 1070 CA ILE A 68 0.475 -2.399 -11.861 1.00 0.00 C ATOM 1071 C ILE A 68 1.817 -1.999 -12.464 1.00 0.00 C ATOM 1072 O ILE A 68 2.124 -0.814 -12.589 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.592 -2.409 -12.972 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.983 -2.622 -12.372 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -0.279 -3.491 -13.996 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.140 -3.951 -11.667 1.00 0.00 C ATOM 0 H ILE A 68 -0.260 -0.599 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 68 0.554 -3.399 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.579 -1.443 -13.477 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.192 -1.818 -11.666 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.727 -2.551 -13.166 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.041 -3.486 -14.775 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.697 -3.298 -14.442 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.268 -4.464 -13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.150 -4.033 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.963 -4.761 -12.374 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.420 -4.018 -10.851 1.00 0.00 H new ATOM 1088 N ILE A 69 2.612 -2.997 -12.837 1.00 0.00 N ATOM 1089 CA ILE A 69 3.920 -2.749 -13.429 1.00 0.00 C ATOM 1090 C ILE A 69 4.122 -3.589 -14.686 1.00 0.00 C ATOM 1091 O ILE A 69 3.656 -4.725 -14.768 1.00 0.00 O ATOM 1092 CB ILE A 69 5.056 -3.054 -12.434 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.870 -2.242 -11.151 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.407 -2.755 -13.066 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.000 -2.930 -10.122 1.00 0.00 C ATOM 0 H ILE A 69 2.373 -3.984 -12.740 1.00 0.00 H new ATOM 0 HA ILE A 69 3.952 -1.692 -13.691 1.00 0.00 H new ATOM 0 HB ILE A 69 5.023 -4.113 -12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.848 -2.041 -10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.429 -1.277 -11.402 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.200 -2.975 -12.351 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.538 -3.373 -13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.453 -1.703 -13.346 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.912 -2.297 -9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.010 -3.107 -10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.451 -3.882 -9.843 1.00 0.00 H new ATOM 1107 N VAL A 70 4.822 -3.022 -15.664 1.00 0.00 N ATOM 1108 CA VAL A 70 5.089 -3.719 -16.917 1.00 0.00 C ATOM 1109 C VAL A 70 6.586 -3.908 -17.132 1.00 0.00 C ATOM 1110 O VAL A 70 7.291 -2.979 -17.528 1.00 0.00 O ATOM 1111 CB VAL A 70 4.500 -2.957 -18.119 1.00 0.00 C ATOM 1112 CG1 VAL A 70 4.760 -3.716 -19.411 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.011 -2.719 -17.921 1.00 0.00 C ATOM 0 H VAL A 70 5.214 -2.082 -15.613 1.00 0.00 H new ATOM 0 HA VAL A 70 4.610 -4.695 -16.845 1.00 0.00 H new ATOM 0 HB VAL A 70 4.993 -1.987 -18.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.337 -3.163 -20.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.834 -3.830 -19.556 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.295 -4.700 -19.354 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.611 -2.179 -18.780 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.499 -3.676 -17.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.854 -2.130 -17.017 1.00 0.00 H new ATOM 1123 N THR A 71 7.068 -5.119 -16.870 1.00 0.00 N ATOM 1124 CA THR A 71 8.482 -5.431 -17.034 1.00 0.00 C ATOM 1125 C THR A 71 8.702 -6.392 -18.197 1.00 0.00 C ATOM 1126 O THR A 71 8.773 -7.606 -18.007 1.00 0.00 O ATOM 1127 CB THR A 71 9.073 -6.050 -15.753 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.372 -6.588 -16.023 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.167 -7.147 -15.214 1.00 0.00 C ATOM 0 H THR A 71 6.499 -5.900 -16.543 1.00 0.00 H new ATOM 0 HA THR A 71 8.991 -4.490 -17.242 1.00 0.00 H new ATOM 0 HB THR A 71 9.154 -5.265 -15.001 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.741 -6.978 -15.203 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.605 -7.569 -14.310 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.188 -6.729 -14.982 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.058 -7.930 -15.964 1.00 0.00 H new ATOM 1137 N ASP A 72 8.808 -5.840 -19.401 1.00 0.00 N ATOM 1138 CA ASP A 72 9.022 -6.649 -20.596 1.00 0.00 C ATOM 1139 C ASP A 72 10.224 -7.571 -20.420 1.00 0.00 C ATOM 1140 O ASP A 72 10.819 -8.025 -21.398 1.00 0.00 O ATOM 1141 CB ASP A 72 9.228 -5.749 -21.816 1.00 0.00 C ATOM 1142 CG ASP A 72 10.324 -4.724 -21.600 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.071 -3.724 -20.896 1.00 0.00 O ATOM 1144 OD2 ASP A 72 11.434 -4.921 -22.136 1.00 0.00 O ATOM 0 H ASP A 72 8.749 -4.837 -19.575 1.00 0.00 H new ATOM 0 HA ASP A 72 8.136 -7.264 -20.753 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.476 -6.365 -22.681 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.295 -5.236 -22.047 1.00 0.00 H new