USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 368 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 53 GLN : amide:sc= 0 X(o=-0.76,f=-1.2) USER MOD Set 1.2: A 56 MET CE :methyl 159:sc= -0.763 (180deg=-1.66) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.0226 USER MOD Set 2.2: A 38 THR OG1 : rot -83:sc= -0.264 USER MOD Set 2.3: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -1 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.16) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= -8.21! (180deg=-10.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -3.38! (180deg=-4.41!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 15:sc= 0.459 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.855 14.587 3.131 1.00 0.00 N ATOM 2 CA MET A 1 2.824 13.581 4.224 1.00 0.00 C ATOM 3 C MET A 1 2.506 12.190 3.686 1.00 0.00 C ATOM 4 O MET A 1 1.394 11.690 3.851 1.00 0.00 O ATOM 5 CB MET A 1 1.770 14.005 5.247 1.00 0.00 C ATOM 6 CG MET A 1 2.357 14.538 6.543 1.00 0.00 C ATOM 7 SD MET A 1 2.934 16.241 6.396 1.00 0.00 S ATOM 8 CE MET A 1 1.567 17.127 7.140 1.00 0.00 C ATOM 0 H1 MET A 1 3.074 15.523 3.527 1.00 0.00 H new ATOM 0 H2 MET A 1 3.585 14.325 2.439 1.00 0.00 H new ATOM 0 H3 MET A 1 1.928 14.618 2.661 1.00 0.00 H new ATOM 0 HA MET A 1 3.806 13.534 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.134 14.772 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.131 13.151 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.604 14.480 7.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.188 13.902 6.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.775 18.197 7.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.655 16.926 6.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.438 16.798 8.171 1.00 0.00 H new ATOM 20 N THR A 2 3.488 11.570 3.038 1.00 0.00 N ATOM 21 CA THR A 2 3.310 10.236 2.479 1.00 0.00 C ATOM 22 C THR A 2 2.747 9.282 3.527 1.00 0.00 C ATOM 23 O THR A 2 3.194 9.272 4.674 1.00 0.00 O ATOM 24 CB THR A 2 4.641 9.697 1.952 1.00 0.00 C ATOM 25 OG1 THR A 2 4.511 8.342 1.558 1.00 0.00 O ATOM 26 CG2 THR A 2 5.764 9.779 2.964 1.00 0.00 C ATOM 0 H THR A 2 4.414 11.971 2.888 1.00 0.00 H new ATOM 0 HA THR A 2 2.602 10.307 1.653 1.00 0.00 H new ATOM 0 HB THR A 2 4.895 10.332 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.367 7.882 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.679 9.380 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.922 10.819 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.501 9.197 3.847 1.00 0.00 H new ATOM 31 N ARG A 3 1.764 8.482 3.129 1.00 0.00 N ATOM 32 CA ARG A 3 1.143 7.535 4.040 1.00 0.00 C ATOM 33 C ARG A 3 0.713 6.258 3.322 1.00 0.00 C ATOM 34 O ARG A 3 -0.066 5.471 3.859 1.00 0.00 O ATOM 35 CB ARG A 3 -0.065 8.179 4.723 1.00 0.00 C ATOM 36 CG ARG A 3 0.169 8.502 6.189 1.00 0.00 C ATOM 37 CD ARG A 3 0.626 7.275 6.957 1.00 0.00 C ATOM 38 NE ARG A 3 1.790 7.554 7.793 1.00 0.00 N ATOM 39 CZ ARG A 3 2.267 6.707 8.699 1.00 0.00 C ATOM 40 NH1 ARG A 3 1.683 5.530 8.883 1.00 0.00 N ATOM 41 NH2 ARG A 3 3.330 7.035 9.421 1.00 0.00 N ATOM 0 H ARG A 3 1.383 8.472 2.183 1.00 0.00 H new ATOM 0 HA ARG A 3 1.885 7.263 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.325 9.096 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.920 7.509 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.919 9.288 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.750 8.888 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.191 6.914 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.867 6.477 6.255 1.00 0.00 H new ATOM 0 HE ARG A 3 2.264 8.450 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.866 5.274 8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.051 4.881 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.782 7.938 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.695 6.384 10.116 1.00 0.00 H new ATOM 55 N GLN A 4 1.225 6.047 2.112 1.00 0.00 N ATOM 56 CA GLN A 4 0.898 4.846 1.356 1.00 0.00 C ATOM 57 C GLN A 4 2.070 3.863 1.342 1.00 0.00 C ATOM 58 O GLN A 4 1.909 2.696 0.996 1.00 0.00 O ATOM 59 CB GLN A 4 0.482 5.187 -0.078 1.00 0.00 C ATOM 60 CG GLN A 4 -1.023 5.166 -0.289 1.00 0.00 C ATOM 61 CD GLN A 4 -1.665 6.519 -0.050 1.00 0.00 C ATOM 62 OE1 GLN A 4 -1.888 6.921 1.091 1.00 0.00 O ATOM 63 NE2 GLN A 4 -1.968 7.229 -1.132 1.00 0.00 N ATOM 0 H GLN A 4 1.863 6.687 1.639 1.00 0.00 H new ATOM 0 HA GLN A 4 0.054 4.371 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.864 6.175 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.948 4.478 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.239 4.840 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.470 4.432 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.765 6.857 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.403 8.146 -1.035 1.00 0.00 H new ATOM 70 N GLU A 5 3.253 4.339 1.709 1.00 0.00 N ATOM 71 CA GLU A 5 4.440 3.495 1.710 1.00 0.00 C ATOM 72 C GLU A 5 4.364 2.413 2.777 1.00 0.00 C ATOM 73 O GLU A 5 4.760 1.271 2.544 1.00 0.00 O ATOM 74 CB GLU A 5 5.684 4.342 1.948 1.00 0.00 C ATOM 75 CG GLU A 5 6.860 3.937 1.079 1.00 0.00 C ATOM 76 CD GLU A 5 7.232 5.001 0.064 1.00 0.00 C ATOM 77 OE1 GLU A 5 7.216 6.197 0.425 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.542 4.639 -1.090 1.00 0.00 O ATOM 0 H GLU A 5 3.415 5.300 2.008 1.00 0.00 H new ATOM 0 HA GLU A 5 4.495 3.012 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.444 5.388 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.972 4.266 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.721 3.730 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.619 3.011 0.557 1.00 0.00 H new ATOM 85 N GLU A 6 3.896 2.786 3.958 1.00 0.00 N ATOM 86 CA GLU A 6 3.827 1.848 5.072 1.00 0.00 C ATOM 87 C GLU A 6 3.066 0.587 4.680 1.00 0.00 C ATOM 88 O GLU A 6 3.594 -0.524 4.771 1.00 0.00 O ATOM 89 CB GLU A 6 3.162 2.506 6.282 1.00 0.00 C ATOM 90 CG GLU A 6 3.724 3.880 6.612 1.00 0.00 C ATOM 91 CD GLU A 6 4.388 3.927 7.974 1.00 0.00 C ATOM 92 OE1 GLU A 6 3.796 3.403 8.941 1.00 0.00 O ATOM 93 OE2 GLU A 6 5.500 4.488 8.074 1.00 0.00 O ATOM 0 H GLU A 6 3.560 3.725 4.171 1.00 0.00 H new ATOM 0 HA GLU A 6 4.846 1.565 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.092 2.596 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.280 1.856 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.448 4.165 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.920 4.615 6.578 1.00 0.00 H new ATOM 100 N LEU A 7 1.844 0.761 4.198 1.00 0.00 N ATOM 101 CA LEU A 7 1.052 -0.377 3.765 1.00 0.00 C ATOM 102 C LEU A 7 1.561 -0.894 2.426 1.00 0.00 C ATOM 103 O LEU A 7 1.477 -2.085 2.142 1.00 0.00 O ATOM 104 CB LEU A 7 -0.434 -0.050 3.729 1.00 0.00 C ATOM 105 CG LEU A 7 -0.899 0.834 2.594 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.408 0.699 2.430 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.523 2.278 2.872 1.00 0.00 C ATOM 0 H LEU A 7 1.386 1.667 4.098 1.00 0.00 H new ATOM 0 HA LEU A 7 1.169 -1.175 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.989 -0.987 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.701 0.432 4.669 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.412 0.523 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.744 1.336 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.659 -0.338 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.903 1.002 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.862 2.907 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.996 2.605 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.560 2.360 2.969 1.00 0.00 H new ATOM 113 N ALA A 8 2.126 -0.006 1.609 1.00 0.00 N ATOM 114 CA ALA A 8 2.770 -0.436 0.372 1.00 0.00 C ATOM 115 C ALA A 8 3.808 -1.505 0.711 1.00 0.00 C ATOM 116 O ALA A 8 4.072 -2.420 -0.069 1.00 0.00 O ATOM 117 CB ALA A 8 3.412 0.734 -0.349 1.00 0.00 C ATOM 0 H ALA A 8 2.151 1.000 1.778 1.00 0.00 H new ATOM 0 HA ALA A 8 2.020 -0.851 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.883 0.382 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.649 1.473 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.165 1.189 0.294 1.00 0.00 H new ATOM 123 N ALA A 9 4.368 -1.392 1.911 1.00 0.00 N ATOM 124 CA ALA A 9 5.270 -2.401 2.420 1.00 0.00 C ATOM 125 C ALA A 9 4.458 -3.634 2.771 1.00 0.00 C ATOM 126 O ALA A 9 4.842 -4.763 2.458 1.00 0.00 O ATOM 127 CB ALA A 9 6.036 -1.874 3.623 1.00 0.00 C ATOM 0 H ALA A 9 4.209 -0.609 2.544 1.00 0.00 H new ATOM 0 HA ALA A 9 6.009 -2.663 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.710 -2.647 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.615 -0.998 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.333 -1.599 4.410 1.00 0.00 H new ATOM 133 N ALA A 10 3.275 -3.397 3.332 1.00 0.00 N ATOM 134 CA ALA A 10 2.351 -4.481 3.613 1.00 0.00 C ATOM 135 C ALA A 10 1.980 -5.171 2.305 1.00 0.00 C ATOM 136 O ALA A 10 1.875 -6.396 2.252 1.00 0.00 O ATOM 137 CB ALA A 10 1.118 -3.972 4.342 1.00 0.00 C ATOM 0 H ALA A 10 2.940 -2.471 3.597 1.00 0.00 H new ATOM 0 HA ALA A 10 2.832 -5.205 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.443 -4.804 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.416 -3.514 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.610 -3.232 3.724 1.00 0.00 H new ATOM 143 N ARG A 11 1.868 -4.386 1.222 1.00 0.00 N ATOM 144 CA ARG A 11 1.633 -4.955 -0.100 1.00 0.00 C ATOM 145 C ARG A 11 2.722 -5.989 -0.373 1.00 0.00 C ATOM 146 O ARG A 11 2.453 -7.093 -0.844 1.00 0.00 O ATOM 147 CB ARG A 11 1.633 -3.838 -1.168 1.00 0.00 C ATOM 148 CG ARG A 11 2.249 -4.206 -2.510 1.00 0.00 C ATOM 149 CD ARG A 11 1.718 -5.523 -3.051 1.00 0.00 C ATOM 150 NE ARG A 11 2.801 -6.372 -3.535 1.00 0.00 N ATOM 151 CZ ARG A 11 3.349 -6.253 -4.742 1.00 0.00 C ATOM 152 NH1 ARG A 11 2.901 -5.339 -5.593 1.00 0.00 N ATOM 153 NH2 ARG A 11 4.341 -7.055 -5.105 1.00 0.00 N ATOM 0 H ARG A 11 1.936 -3.368 1.241 1.00 0.00 H new ATOM 0 HA ARG A 11 0.658 -5.441 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.603 -3.522 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.169 -2.978 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.046 -3.413 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.332 -4.270 -2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.166 -6.044 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.015 -5.329 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 11 3.158 -7.098 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.133 -4.724 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.324 -5.252 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.685 -7.765 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.759 -6.962 -6.031 1.00 0.00 H new ATOM 167 N ALA A 12 3.947 -5.632 -0.004 1.00 0.00 N ATOM 168 CA ALA A 12 5.082 -6.524 -0.164 1.00 0.00 C ATOM 169 C ALA A 12 4.772 -7.871 0.472 1.00 0.00 C ATOM 170 O ALA A 12 4.952 -8.923 -0.146 1.00 0.00 O ATOM 171 CB ALA A 12 6.319 -5.905 0.462 1.00 0.00 C ATOM 0 H ALA A 12 4.177 -4.728 0.409 1.00 0.00 H new ATOM 0 HA ALA A 12 5.274 -6.678 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.166 -6.580 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.537 -4.955 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.143 -5.735 1.524 1.00 0.00 H new ATOM 177 N ALA A 13 4.240 -7.827 1.687 1.00 0.00 N ATOM 178 CA ALA A 13 3.820 -9.040 2.367 1.00 0.00 C ATOM 179 C ALA A 13 2.689 -9.685 1.595 1.00 0.00 C ATOM 180 O ALA A 13 2.732 -10.869 1.294 1.00 0.00 O ATOM 181 CB ALA A 13 3.371 -8.749 3.789 1.00 0.00 C ATOM 0 H ALA A 13 4.091 -6.968 2.217 1.00 0.00 H new ATOM 0 HA ALA A 13 4.672 -9.719 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.063 -9.677 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.196 -8.307 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.531 -8.054 3.770 1.00 0.00 H new ATOM 187 N LEU A 14 1.690 -8.876 1.250 1.00 0.00 N ATOM 188 CA LEU A 14 0.530 -9.362 0.521 1.00 0.00 C ATOM 189 C LEU A 14 0.936 -10.151 -0.712 1.00 0.00 C ATOM 190 O LEU A 14 0.470 -11.272 -0.926 1.00 0.00 O ATOM 191 CB LEU A 14 -0.371 -8.206 0.129 1.00 0.00 C ATOM 192 CG LEU A 14 -1.514 -7.924 1.097 1.00 0.00 C ATOM 193 CD1 LEU A 14 -2.245 -9.209 1.477 1.00 0.00 C ATOM 194 CD2 LEU A 14 -1.008 -7.203 2.336 1.00 0.00 C ATOM 0 H LEU A 14 1.664 -7.879 1.466 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.018 -10.033 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.237 -7.306 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.791 -8.410 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.226 -7.272 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.055 -8.976 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.656 -9.673 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.547 -9.897 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.842 -7.013 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.266 -7.823 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.553 -6.256 2.046 1.00 0.00 H new ATOM 200 N HIS A 15 1.838 -9.594 -1.513 1.00 0.00 N ATOM 201 CA HIS A 15 2.334 -10.319 -2.674 1.00 0.00 C ATOM 202 C HIS A 15 2.886 -11.651 -2.195 1.00 0.00 C ATOM 203 O HIS A 15 2.717 -12.687 -2.839 1.00 0.00 O ATOM 204 CB HIS A 15 3.416 -9.511 -3.393 1.00 0.00 C ATOM 205 CG HIS A 15 4.184 -10.296 -4.415 1.00 0.00 C ATOM 206 ND1 HIS A 15 3.956 -10.191 -5.772 1.00 0.00 N ATOM 207 CD2 HIS A 15 5.179 -11.204 -4.270 1.00 0.00 C ATOM 208 CE1 HIS A 15 4.779 -10.999 -6.417 1.00 0.00 C ATOM 209 NE2 HIS A 15 5.529 -11.624 -5.530 1.00 0.00 N ATOM 0 H HIS A 15 2.233 -8.663 -1.383 1.00 0.00 H new ATOM 0 HA HIS A 15 1.525 -10.485 -3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.951 -8.654 -3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.113 -9.117 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.615 -11.535 -3.339 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.829 -11.126 -7.488 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.253 -12.309 -5.745 1.00 0.00 H new ATOM 218 N ASP A 16 3.471 -11.611 -1.004 1.00 0.00 N ATOM 219 CA ASP A 16 3.966 -12.804 -0.349 1.00 0.00 C ATOM 220 C ASP A 16 2.800 -13.653 0.186 1.00 0.00 C ATOM 221 O ASP A 16 2.863 -14.875 0.155 1.00 0.00 O ATOM 222 CB ASP A 16 4.942 -12.422 0.771 1.00 0.00 C ATOM 223 CG ASP A 16 6.170 -13.310 0.796 1.00 0.00 C ATOM 224 OD1 ASP A 16 6.744 -13.561 -0.285 1.00 0.00 O ATOM 225 OD2 ASP A 16 6.557 -13.756 1.896 1.00 0.00 O ATOM 0 H ASP A 16 3.613 -10.753 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 16 4.505 -13.410 -1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.250 -11.384 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.431 -12.486 1.732 1.00 0.00 H new ATOM 230 N LEU A 17 1.715 -13.012 0.638 1.00 0.00 N ATOM 231 CA LEU A 17 0.560 -13.744 1.163 1.00 0.00 C ATOM 232 C LEU A 17 0.140 -14.819 0.174 1.00 0.00 C ATOM 233 O LEU A 17 -0.251 -15.922 0.555 1.00 0.00 O ATOM 234 CB LEU A 17 -0.612 -12.795 1.424 1.00 0.00 C ATOM 235 CG LEU A 17 -0.901 -12.510 2.896 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.133 -11.296 3.380 1.00 0.00 C ATOM 237 CD2 LEU A 17 -2.387 -12.302 3.121 1.00 0.00 C ATOM 0 H LEU A 17 1.614 -11.997 0.650 1.00 0.00 H new ATOM 0 HA LEU A 17 0.845 -14.208 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.413 -11.850 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.508 -13.216 0.969 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.574 -13.377 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.359 -11.118 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.936 -11.472 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.423 -10.424 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.570 -12.100 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.730 -11.456 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.929 -13.200 2.823 1.00 0.00 H new ATOM 243 N MET A 18 0.272 -14.491 -1.101 1.00 0.00 N ATOM 244 CA MET A 18 -0.060 -15.419 -2.174 1.00 0.00 C ATOM 245 C MET A 18 0.766 -16.701 -2.069 1.00 0.00 C ATOM 246 O MET A 18 0.390 -17.737 -2.618 1.00 0.00 O ATOM 247 CB MET A 18 0.186 -14.758 -3.532 1.00 0.00 C ATOM 248 CG MET A 18 -1.048 -14.713 -4.417 1.00 0.00 C ATOM 249 SD MET A 18 -1.212 -16.175 -5.460 1.00 0.00 S ATOM 250 CE MET A 18 -0.427 -15.608 -6.965 1.00 0.00 C ATOM 0 H MET A 18 0.609 -13.583 -1.421 1.00 0.00 H new ATOM 0 HA MET A 18 -1.114 -15.680 -2.081 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.546 -13.742 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.977 -15.298 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.935 -14.617 -3.791 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.005 -13.825 -5.048 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.450 -16.404 -7.709 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.960 -14.738 -7.348 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.608 -15.336 -6.756 1.00 0.00 H new ATOM 260 N THR A 19 1.896 -16.623 -1.370 1.00 0.00 N ATOM 261 CA THR A 19 2.787 -17.772 -1.223 1.00 0.00 C ATOM 262 C THR A 19 3.569 -17.702 0.091 1.00 0.00 C ATOM 263 O THR A 19 3.364 -18.520 0.988 1.00 0.00 O ATOM 264 CB THR A 19 3.754 -17.852 -2.416 1.00 0.00 C ATOM 265 OG1 THR A 19 4.991 -18.426 -2.030 1.00 0.00 O ATOM 266 CG2 THR A 19 4.051 -16.508 -3.054 1.00 0.00 C ATOM 0 H THR A 19 2.216 -15.778 -0.897 1.00 0.00 H new ATOM 0 HA THR A 19 2.174 -18.673 -1.202 1.00 0.00 H new ATOM 0 HB THR A 19 3.240 -18.474 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.588 -18.468 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.740 -16.645 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.124 -16.065 -3.418 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.503 -15.846 -2.315 1.00 0.00 H new ATOM 271 N GLY A 20 4.484 -16.742 0.186 1.00 0.00 N ATOM 272 CA GLY A 20 5.270 -16.577 1.398 1.00 0.00 C ATOM 273 C GLY A 20 4.407 -16.258 2.605 1.00 0.00 C ATOM 274 O GLY A 20 4.167 -17.124 3.447 1.00 0.00 O ATOM 0 H GLY A 20 4.696 -16.074 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.835 -17.489 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.996 -15.777 1.252 1.00 0.00 H new ATOM 278 N LYS A 21 3.940 -15.015 2.683 1.00 0.00 N ATOM 279 CA LYS A 21 3.083 -14.580 3.778 1.00 0.00 C ATOM 280 C LYS A 21 1.894 -15.517 3.940 1.00 0.00 C ATOM 281 O LYS A 21 1.830 -16.590 3.343 1.00 0.00 O ATOM 282 CB LYS A 21 2.562 -13.153 3.543 1.00 0.00 C ATOM 283 CG LYS A 21 3.063 -12.145 4.559 1.00 0.00 C ATOM 284 CD LYS A 21 1.956 -11.653 5.466 1.00 0.00 C ATOM 285 CE LYS A 21 2.476 -11.325 6.856 1.00 0.00 C ATOM 286 NZ LYS A 21 2.625 -12.544 7.698 1.00 0.00 N ATOM 0 H LYS A 21 4.143 -14.289 1.996 1.00 0.00 H new ATOM 0 HA LYS A 21 3.687 -14.596 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.858 -12.828 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.472 -13.166 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.850 -12.599 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.509 -11.297 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.495 -10.766 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.179 -12.414 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.439 -10.822 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.793 -10.629 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.982 -12.276 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.701 -13.011 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.296 -13.198 7.247 1.00 0.00 H new ATOM 300 N ARG A 22 0.935 -15.058 4.715 1.00 0.00 N ATOM 301 CA ARG A 22 -0.285 -15.791 4.964 1.00 0.00 C ATOM 302 C ARG A 22 -1.401 -14.831 5.311 1.00 0.00 C ATOM 303 O ARG A 22 -2.520 -14.964 4.820 1.00 0.00 O ATOM 304 CB ARG A 22 -0.088 -16.767 6.109 1.00 0.00 C ATOM 305 CG ARG A 22 -1.350 -17.529 6.456 1.00 0.00 C ATOM 306 CD ARG A 22 -1.032 -18.886 7.057 1.00 0.00 C ATOM 307 NE ARG A 22 -0.432 -18.772 8.383 1.00 0.00 N ATOM 308 CZ ARG A 22 -0.090 -19.818 9.127 1.00 0.00 C ATOM 309 NH1 ARG A 22 -0.289 -21.049 8.675 1.00 0.00 N ATOM 310 NH2 ARG A 22 0.450 -19.634 10.324 1.00 0.00 N ATOM 0 H ARG A 22 0.982 -14.158 5.193 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.547 -16.345 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.697 -17.475 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.256 -16.223 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.945 -16.948 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.956 -17.660 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.946 -19.476 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.352 -19.424 6.397 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.266 -17.838 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.705 -21.193 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.026 -21.851 9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.603 -18.688 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.712 -20.438 10.894 1.00 0.00 H new ATOM 324 N VAL A 23 -1.084 -13.860 6.161 1.00 0.00 N ATOM 325 CA VAL A 23 -2.060 -12.869 6.568 1.00 0.00 C ATOM 326 C VAL A 23 -1.398 -11.534 6.876 1.00 0.00 C ATOM 327 O VAL A 23 -0.456 -11.459 7.663 1.00 0.00 O ATOM 328 CB VAL A 23 -2.870 -13.333 7.798 1.00 0.00 C ATOM 329 CG1 VAL A 23 -3.833 -12.248 8.266 1.00 0.00 C ATOM 330 CG2 VAL A 23 -3.622 -14.613 7.492 1.00 0.00 C ATOM 0 H VAL A 23 -0.160 -13.742 6.578 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.743 -12.744 5.728 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.165 -13.529 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.389 -12.604 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.271 -11.355 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.529 -12.008 7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.186 -14.923 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.308 -14.442 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.913 -15.396 7.222 1.00 0.00 H new ATOM 334 N ALA A 24 -1.922 -10.485 6.263 1.00 0.00 N ATOM 335 CA ALA A 24 -1.413 -9.144 6.478 1.00 0.00 C ATOM 336 C ALA A 24 -2.472 -8.266 7.121 1.00 0.00 C ATOM 337 O ALA A 24 -3.632 -8.269 6.707 1.00 0.00 O ATOM 338 CB ALA A 24 -0.959 -8.541 5.166 1.00 0.00 C ATOM 0 H ALA A 24 -2.703 -10.539 5.610 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.559 -9.203 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.579 -7.534 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.170 -9.157 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.801 -8.496 4.475 1.00 0.00 H new ATOM 344 N THR A 25 -2.071 -7.519 8.136 1.00 0.00 N ATOM 345 CA THR A 25 -2.986 -6.622 8.825 1.00 0.00 C ATOM 346 C THR A 25 -2.276 -5.337 9.210 1.00 0.00 C ATOM 347 O THR A 25 -1.376 -5.337 10.051 1.00 0.00 O ATOM 348 CB THR A 25 -3.563 -7.300 10.070 1.00 0.00 C ATOM 349 OG1 THR A 25 -3.934 -6.340 11.044 1.00 0.00 O ATOM 350 CG2 THR A 25 -2.597 -8.264 10.716 1.00 0.00 C ATOM 0 H THR A 25 -1.119 -7.515 8.502 1.00 0.00 H new ATOM 0 HA THR A 25 -3.806 -6.379 8.149 1.00 0.00 H new ATOM 0 HB THR A 25 -4.434 -7.856 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.301 -6.796 11.830 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.063 -8.713 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.333 -9.047 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.696 -7.729 11.017 1.00 0.00 H new ATOM 355 N VAL A 26 -2.682 -4.245 8.583 1.00 0.00 N ATOM 356 CA VAL A 26 -2.077 -2.950 8.848 1.00 0.00 C ATOM 357 C VAL A 26 -3.141 -1.873 9.049 1.00 0.00 C ATOM 358 O VAL A 26 -4.318 -2.084 8.759 1.00 0.00 O ATOM 359 CB VAL A 26 -1.118 -2.535 7.715 1.00 0.00 C ATOM 360 CG1 VAL A 26 0.285 -3.056 7.990 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.618 -3.028 6.365 1.00 0.00 C ATOM 0 H VAL A 26 -3.428 -4.229 7.887 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.502 -3.048 9.769 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.085 -1.446 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.950 -2.755 7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.648 -2.643 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.263 -4.144 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.922 -2.721 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.690 -4.116 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.601 -2.601 6.163 1.00 0.00 H new ATOM 365 N GLN A 27 -2.711 -0.711 9.531 1.00 0.00 N ATOM 366 CA GLN A 27 -3.615 0.415 9.759 1.00 0.00 C ATOM 367 C GLN A 27 -3.090 1.670 9.067 1.00 0.00 C ATOM 368 O GLN A 27 -1.939 2.057 9.268 1.00 0.00 O ATOM 369 CB GLN A 27 -3.760 0.673 11.255 1.00 0.00 C ATOM 370 CG GLN A 27 -4.801 -0.205 11.930 1.00 0.00 C ATOM 371 CD GLN A 27 -4.433 -0.554 13.358 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.186 -1.716 13.682 1.00 0.00 O ATOM 373 NE2 GLN A 27 -4.394 0.453 14.221 1.00 0.00 N ATOM 0 H GLN A 27 -1.738 -0.523 9.773 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.590 0.166 9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.796 0.513 11.737 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.025 1.719 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.763 0.307 11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.924 -1.123 11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.606 1.401 13.909 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.152 0.280 15.197 1.00 0.00 H new ATOM 380 N LYS A 28 -3.906 2.270 8.202 1.00 0.00 N ATOM 381 CA LYS A 28 -3.478 3.452 7.456 1.00 0.00 C ATOM 382 C LYS A 28 -4.080 4.715 8.054 1.00 0.00 C ATOM 383 O LYS A 28 -4.943 4.650 8.931 1.00 0.00 O ATOM 384 CB LYS A 28 -3.845 3.356 5.963 1.00 0.00 C ATOM 385 CG LYS A 28 -3.131 2.243 5.217 1.00 0.00 C ATOM 386 CD LYS A 28 -3.643 0.891 5.678 1.00 0.00 C ATOM 387 CE LYS A 28 -2.556 -0.018 6.245 1.00 0.00 C ATOM 388 NZ LYS A 28 -1.498 0.720 7.012 1.00 0.00 N ATOM 0 H LYS A 28 -4.857 1.961 8.002 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.392 3.500 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.921 3.206 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.615 4.307 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.290 2.354 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.057 2.311 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.410 1.043 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.122 0.388 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.017 -0.759 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.086 -0.563 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.587 0.632 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.758 1.725 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.416 0.316 7.967 1.00 0.00 H new ATOM 402 N ASP A 29 -3.623 5.863 7.573 1.00 0.00 N ATOM 403 CA ASP A 29 -4.120 7.145 8.053 1.00 0.00 C ATOM 404 C ASP A 29 -5.598 7.330 7.714 1.00 0.00 C ATOM 405 O ASP A 29 -6.256 8.222 8.249 1.00 0.00 O ATOM 406 CB ASP A 29 -3.299 8.281 7.445 1.00 0.00 C ATOM 407 CG ASP A 29 -3.543 9.609 8.135 1.00 0.00 C ATOM 408 OD1 ASP A 29 -3.692 9.615 9.376 1.00 0.00 O ATOM 409 OD2 ASP A 29 -3.587 10.642 7.435 1.00 0.00 O ATOM 0 H ASP A 29 -2.908 5.933 6.849 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.018 7.163 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.240 8.033 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.543 8.375 6.387 1.00 0.00 H new ATOM 414 N GLY A 30 -6.120 6.483 6.828 1.00 0.00 N ATOM 415 CA GLY A 30 -7.513 6.593 6.435 1.00 0.00 C ATOM 416 C GLY A 30 -8.210 5.249 6.319 1.00 0.00 C ATOM 417 O GLY A 30 -9.395 5.134 6.633 1.00 0.00 O ATOM 0 H GLY A 30 -5.605 5.727 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.042 7.208 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.574 7.110 5.478 1.00 0.00 H new ATOM 421 N ARG A 31 -7.487 4.229 5.858 1.00 0.00 N ATOM 422 CA ARG A 31 -8.076 2.907 5.679 1.00 0.00 C ATOM 423 C ARG A 31 -7.335 1.836 6.473 1.00 0.00 C ATOM 424 O ARG A 31 -6.283 2.081 7.058 1.00 0.00 O ATOM 425 CB ARG A 31 -8.102 2.525 4.192 1.00 0.00 C ATOM 426 CG ARG A 31 -9.130 1.454 3.844 1.00 0.00 C ATOM 427 CD ARG A 31 -10.472 1.719 4.510 1.00 0.00 C ATOM 428 NE ARG A 31 -11.585 1.171 3.741 1.00 0.00 N ATOM 429 CZ ARG A 31 -12.853 1.530 3.921 1.00 0.00 C ATOM 430 NH1 ARG A 31 -13.163 2.434 4.839 1.00 0.00 N ATOM 431 NH2 ARG A 31 -13.810 0.984 3.183 1.00 0.00 N ATOM 0 H ARG A 31 -6.501 4.293 5.604 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.096 2.959 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.309 3.418 3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.113 2.172 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.262 1.415 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.757 0.478 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.473 1.283 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.610 2.793 4.631 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.379 0.474 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.429 2.855 5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.136 2.709 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.574 0.288 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.782 1.260 3.322 1.00 0.00 H new ATOM 445 N ARG A 32 -7.928 0.654 6.511 1.00 0.00 N ATOM 446 CA ARG A 32 -7.378 -0.479 7.232 1.00 0.00 C ATOM 447 C ARG A 32 -7.194 -1.667 6.295 1.00 0.00 C ATOM 448 O ARG A 32 -8.126 -2.048 5.588 1.00 0.00 O ATOM 449 CB ARG A 32 -8.347 -0.862 8.339 1.00 0.00 C ATOM 450 CG ARG A 32 -9.738 -1.163 7.811 1.00 0.00 C ATOM 451 CD ARG A 32 -10.197 -2.560 8.198 1.00 0.00 C ATOM 452 NE ARG A 32 -10.803 -3.266 7.074 1.00 0.00 N ATOM 453 CZ ARG A 32 -11.365 -4.465 7.175 1.00 0.00 C ATOM 454 NH1 ARG A 32 -11.397 -5.088 8.345 1.00 0.00 N ATOM 455 NH2 ARG A 32 -11.895 -5.043 6.106 1.00 0.00 N ATOM 0 H ARG A 32 -8.810 0.454 6.039 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.408 -0.207 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.965 -1.736 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.404 -0.051 9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.442 -0.428 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.744 -1.066 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.346 -3.131 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.916 -2.492 9.014 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.795 -2.813 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.990 -4.646 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.829 -6.009 8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.871 -4.567 5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.326 -5.964 6.185 1.00 0.00 H new ATOM 469 N VAL A 33 -6.007 -2.266 6.290 1.00 0.00 N ATOM 470 CA VAL A 33 -5.773 -3.424 5.438 1.00 0.00 C ATOM 471 C VAL A 33 -5.521 -4.681 6.257 1.00 0.00 C ATOM 472 O VAL A 33 -4.413 -4.904 6.737 1.00 0.00 O ATOM 473 CB VAL A 33 -4.594 -3.230 4.466 1.00 0.00 C ATOM 474 CG1 VAL A 33 -4.724 -4.179 3.282 1.00 0.00 C ATOM 475 CG2 VAL A 33 -4.501 -1.788 3.989 1.00 0.00 C ATOM 0 H VAL A 33 -5.208 -1.976 6.854 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.687 -3.536 4.854 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.674 -3.461 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.884 -4.031 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.725 -5.209 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.656 -3.977 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.659 -1.685 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.422 -1.515 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.355 -1.130 4.846 1.00 0.00 H new ATOM 479 N GLU A 34 -6.545 -5.521 6.361 1.00 0.00 N ATOM 480 CA GLU A 34 -6.428 -6.802 7.048 1.00 0.00 C ATOM 481 C GLU A 34 -6.881 -7.908 6.112 1.00 0.00 C ATOM 482 O GLU A 34 -8.060 -7.998 5.770 1.00 0.00 O ATOM 483 CB GLU A 34 -7.267 -6.816 8.327 1.00 0.00 C ATOM 484 CG GLU A 34 -6.738 -5.896 9.416 1.00 0.00 C ATOM 485 CD GLU A 34 -7.835 -5.386 10.329 1.00 0.00 C ATOM 486 OE1 GLU A 34 -8.841 -4.858 9.813 1.00 0.00 O ATOM 487 OE2 GLU A 34 -7.686 -5.516 11.564 1.00 0.00 O ATOM 0 H GLU A 34 -7.471 -5.336 5.976 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.387 -6.960 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.289 -6.526 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.308 -7.835 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.995 -6.430 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.230 -5.049 8.956 1.00 0.00 H new ATOM 494 N PHE A 35 -5.932 -8.702 5.639 1.00 0.00 N ATOM 495 CA PHE A 35 -6.240 -9.725 4.655 1.00 0.00 C ATOM 496 C PHE A 35 -5.451 -11.002 4.879 1.00 0.00 C ATOM 497 O PHE A 35 -4.426 -11.008 5.561 1.00 0.00 O ATOM 498 CB PHE A 35 -5.957 -9.181 3.261 1.00 0.00 C ATOM 499 CG PHE A 35 -7.109 -8.386 2.715 1.00 0.00 C ATOM 500 CD1 PHE A 35 -7.422 -7.138 3.240 1.00 0.00 C ATOM 501 CD2 PHE A 35 -7.917 -8.914 1.726 1.00 0.00 C ATOM 502 CE1 PHE A 35 -8.502 -6.420 2.758 1.00 0.00 C ATOM 503 CE2 PHE A 35 -8.994 -8.200 1.235 1.00 0.00 C ATOM 504 CZ PHE A 35 -9.285 -6.949 1.750 1.00 0.00 C ATOM 0 H PHE A 35 -4.952 -8.658 5.918 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.295 -9.978 4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.067 -8.552 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.738 -10.010 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.816 -6.724 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.704 -9.897 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.732 -5.448 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.607 -8.618 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.123 -6.387 1.365 1.00 0.00 H new ATOM 514 N THR A 36 -5.930 -12.081 4.273 1.00 0.00 N ATOM 515 CA THR A 36 -5.258 -13.364 4.354 1.00 0.00 C ATOM 516 C THR A 36 -4.986 -13.908 2.960 1.00 0.00 C ATOM 517 O THR A 36 -5.017 -13.165 1.982 1.00 0.00 O ATOM 518 CB THR A 36 -6.085 -14.361 5.165 1.00 0.00 C ATOM 519 OG1 THR A 36 -7.117 -14.919 4.373 1.00 0.00 O ATOM 520 CG2 THR A 36 -6.720 -13.746 6.391 1.00 0.00 C ATOM 0 H THR A 36 -6.786 -12.089 3.718 1.00 0.00 H new ATOM 0 HA THR A 36 -4.305 -13.219 4.864 1.00 0.00 H new ATOM 0 HB THR A 36 -5.382 -15.129 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.634 -15.555 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.293 -14.505 6.923 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.942 -13.353 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.383 -12.935 6.089 1.00 0.00 H new ATOM 525 N ALA A 37 -4.714 -15.201 2.871 1.00 0.00 N ATOM 526 CA ALA A 37 -4.407 -15.821 1.591 1.00 0.00 C ATOM 527 C ALA A 37 -5.670 -16.315 0.886 1.00 0.00 C ATOM 528 O ALA A 37 -5.687 -17.409 0.320 1.00 0.00 O ATOM 529 CB ALA A 37 -3.425 -16.962 1.790 1.00 0.00 C ATOM 0 H ALA A 37 -4.700 -15.839 3.666 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.952 -15.065 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.200 -17.421 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.506 -16.578 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.863 -17.707 2.454 1.00 0.00 H new ATOM 535 N THR A 38 -6.719 -15.500 0.911 1.00 0.00 N ATOM 536 CA THR A 38 -7.977 -15.843 0.257 1.00 0.00 C ATOM 537 C THR A 38 -8.464 -14.675 -0.595 1.00 0.00 C ATOM 538 O THR A 38 -8.753 -14.832 -1.782 1.00 0.00 O ATOM 539 CB THR A 38 -9.037 -16.211 1.296 1.00 0.00 C ATOM 540 OG1 THR A 38 -9.397 -15.079 2.070 1.00 0.00 O ATOM 541 CG2 THR A 38 -8.588 -17.297 2.249 1.00 0.00 C ATOM 0 H THR A 38 -6.723 -14.594 1.379 1.00 0.00 H new ATOM 0 HA THR A 38 -7.807 -16.705 -0.388 1.00 0.00 H new ATOM 0 HB THR A 38 -9.887 -16.582 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.751 -14.961 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.386 -17.510 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.352 -18.200 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.701 -16.964 2.788 1.00 0.00 H new ATOM 546 N SER A 39 -8.532 -13.499 0.020 1.00 0.00 N ATOM 547 CA SER A 39 -8.947 -12.287 -0.675 1.00 0.00 C ATOM 548 C SER A 39 -7.738 -11.453 -1.096 1.00 0.00 C ATOM 549 O SER A 39 -7.867 -10.512 -1.878 1.00 0.00 O ATOM 550 CB SER A 39 -9.854 -11.450 0.228 1.00 0.00 C ATOM 551 OG SER A 39 -10.333 -12.214 1.321 1.00 0.00 O ATOM 0 H SER A 39 -8.303 -13.360 1.004 1.00 0.00 H new ATOM 0 HA SER A 39 -9.493 -12.583 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.304 -10.585 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.696 -11.069 -0.350 1.00 0.00 H new ATOM 0 HG SER A 39 -10.909 -11.655 1.883 1.00 0.00 H new ATOM 557 N VAL A 40 -6.560 -11.806 -0.579 1.00 0.00 N ATOM 558 CA VAL A 40 -5.339 -11.071 -0.884 1.00 0.00 C ATOM 559 C VAL A 40 -5.214 -10.779 -2.382 1.00 0.00 C ATOM 560 O VAL A 40 -4.551 -9.824 -2.769 1.00 0.00 O ATOM 561 CB VAL A 40 -4.080 -11.816 -0.368 1.00 0.00 C ATOM 562 CG1 VAL A 40 -4.171 -13.300 -0.670 1.00 0.00 C ATOM 563 CG2 VAL A 40 -2.794 -11.234 -0.945 1.00 0.00 C ATOM 0 H VAL A 40 -6.429 -12.596 0.052 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.406 -10.118 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.046 -11.678 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.277 -13.802 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.051 -13.717 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.250 -13.448 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.938 -11.786 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.814 -11.314 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.709 -10.185 -0.660 1.00 0.00 H new ATOM 567 N SER A 41 -5.827 -11.606 -3.224 1.00 0.00 N ATOM 568 CA SER A 41 -5.780 -11.367 -4.662 1.00 0.00 C ATOM 569 C SER A 41 -6.531 -10.081 -4.992 1.00 0.00 C ATOM 570 O SER A 41 -5.969 -9.138 -5.564 1.00 0.00 O ATOM 571 CB SER A 41 -6.391 -12.545 -5.423 1.00 0.00 C ATOM 572 OG SER A 41 -6.286 -12.357 -6.824 1.00 0.00 O ATOM 0 H SER A 41 -6.353 -12.433 -2.942 1.00 0.00 H new ATOM 0 HA SER A 41 -4.739 -11.265 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.885 -13.468 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.439 -12.657 -5.145 1.00 0.00 H new ATOM 0 HG SER A 41 -6.682 -13.124 -7.288 1.00 0.00 H new ATOM 578 N ASP A 42 -7.778 -10.011 -4.540 1.00 0.00 N ATOM 579 CA ASP A 42 -8.583 -8.814 -4.714 1.00 0.00 C ATOM 580 C ASP A 42 -7.902 -7.651 -4.017 1.00 0.00 C ATOM 581 O ASP A 42 -7.840 -6.527 -4.532 1.00 0.00 O ATOM 582 CB ASP A 42 -9.977 -9.028 -4.128 1.00 0.00 C ATOM 583 CG ASP A 42 -11.080 -8.665 -5.103 1.00 0.00 C ATOM 584 OD1 ASP A 42 -11.275 -7.458 -5.356 1.00 0.00 O ATOM 585 OD2 ASP A 42 -11.748 -9.588 -5.614 1.00 0.00 O ATOM 0 H ASP A 42 -8.251 -10.771 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.683 -8.596 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.087 -10.071 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.084 -8.428 -3.224 1.00 0.00 H new ATOM 590 N LEU A 43 -7.357 -7.947 -2.847 1.00 0.00 N ATOM 591 CA LEU A 43 -6.646 -6.959 -2.074 1.00 0.00 C ATOM 592 C LEU A 43 -5.418 -6.480 -2.824 1.00 0.00 C ATOM 593 O LEU A 43 -5.154 -5.282 -2.901 1.00 0.00 O ATOM 594 CB LEU A 43 -6.226 -7.552 -0.730 1.00 0.00 C ATOM 595 CG LEU A 43 -5.990 -6.550 0.407 1.00 0.00 C ATOM 596 CD1 LEU A 43 -4.898 -7.073 1.323 1.00 0.00 C ATOM 597 CD2 LEU A 43 -5.627 -5.167 -0.118 1.00 0.00 C ATOM 0 H LEU A 43 -7.398 -8.871 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.309 -6.110 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.994 -8.257 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.310 -8.124 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.920 -6.446 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.730 -6.362 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.203 -8.032 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.977 -7.201 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.469 -4.489 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.714 -5.231 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.438 -4.790 -0.741 1.00 0.00 H new ATOM 603 N LYS A 44 -4.676 -7.423 -3.401 1.00 0.00 N ATOM 604 CA LYS A 44 -3.463 -7.082 -4.124 1.00 0.00 C ATOM 605 C LYS A 44 -3.740 -6.000 -5.141 1.00 0.00 C ATOM 606 O LYS A 44 -2.906 -5.142 -5.365 1.00 0.00 O ATOM 607 CB LYS A 44 -2.847 -8.291 -4.815 1.00 0.00 C ATOM 608 CG LYS A 44 -1.350 -8.410 -4.571 1.00 0.00 C ATOM 609 CD LYS A 44 -1.065 -9.196 -3.307 1.00 0.00 C ATOM 610 CE LYS A 44 -1.009 -10.691 -3.585 1.00 0.00 C ATOM 611 NZ LYS A 44 -2.245 -11.184 -4.254 1.00 0.00 N ATOM 0 H LYS A 44 -4.895 -8.419 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.746 -6.717 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.341 -9.196 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.032 -8.224 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.877 -8.900 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.911 -7.415 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.118 -8.868 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.838 -8.991 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.146 -10.910 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.866 -11.228 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.297 -12.219 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.078 -10.756 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.224 -10.921 -5.260 1.00 0.00 H new ATOM 625 N LYS A 45 -4.920 -6.026 -5.743 1.00 0.00 N ATOM 626 CA LYS A 45 -5.286 -4.969 -6.670 1.00 0.00 C ATOM 627 C LYS A 45 -5.359 -3.651 -5.908 1.00 0.00 C ATOM 628 O LYS A 45 -4.708 -2.671 -6.268 1.00 0.00 O ATOM 629 CB LYS A 45 -6.624 -5.267 -7.359 1.00 0.00 C ATOM 630 CG LYS A 45 -7.261 -4.057 -8.038 1.00 0.00 C ATOM 631 CD LYS A 45 -6.254 -3.257 -8.858 1.00 0.00 C ATOM 632 CE LYS A 45 -6.955 -2.308 -9.815 1.00 0.00 C ATOM 633 NZ LYS A 45 -7.352 -2.983 -11.081 1.00 0.00 N ATOM 0 H LYS A 45 -5.625 -6.751 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.529 -4.904 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.471 -6.048 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.320 -5.663 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.071 -4.392 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.705 -3.411 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.605 -2.690 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.615 -3.939 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.840 -1.895 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.296 -1.470 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.827 -2.300 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.505 -3.355 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.002 -3.766 -10.868 1.00 0.00 H new ATOM 647 N TYR A 46 -6.122 -3.650 -4.821 1.00 0.00 N ATOM 648 CA TYR A 46 -6.251 -2.454 -3.997 1.00 0.00 C ATOM 649 C TYR A 46 -4.878 -2.029 -3.476 1.00 0.00 C ATOM 650 O TYR A 46 -4.486 -0.869 -3.609 1.00 0.00 O ATOM 651 CB TYR A 46 -7.235 -2.714 -2.841 1.00 0.00 C ATOM 652 CG TYR A 46 -7.054 -1.832 -1.617 1.00 0.00 C ATOM 653 CD1 TYR A 46 -6.609 -0.518 -1.729 1.00 0.00 C ATOM 654 CD2 TYR A 46 -7.339 -2.319 -0.348 1.00 0.00 C ATOM 655 CE1 TYR A 46 -6.437 0.275 -0.609 1.00 0.00 C ATOM 656 CE2 TYR A 46 -7.178 -1.531 0.774 1.00 0.00 C ATOM 657 CZ TYR A 46 -6.727 -0.235 0.638 1.00 0.00 C ATOM 658 OH TYR A 46 -6.565 0.553 1.755 1.00 0.00 O ATOM 0 H TYR A 46 -6.656 -4.455 -4.492 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.650 -1.639 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.250 -2.583 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.141 -3.756 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.395 -0.111 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.693 -3.333 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.077 1.288 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.404 -1.927 1.753 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.814 0.043 2.554 1.00 0.00 H new ATOM 668 N ILE A 47 -4.156 -2.973 -2.893 1.00 0.00 N ATOM 669 CA ILE A 47 -2.831 -2.695 -2.362 1.00 0.00 C ATOM 670 C ILE A 47 -1.865 -2.333 -3.497 1.00 0.00 C ATOM 671 O ILE A 47 -0.952 -1.528 -3.316 1.00 0.00 O ATOM 672 CB ILE A 47 -2.307 -3.878 -1.513 1.00 0.00 C ATOM 673 CG1 ILE A 47 -1.459 -3.345 -0.360 1.00 0.00 C ATOM 674 CG2 ILE A 47 -1.537 -4.898 -2.347 1.00 0.00 C ATOM 675 CD1 ILE A 47 -2.269 -2.890 0.835 1.00 0.00 C ATOM 0 H ILE A 47 -4.465 -3.938 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.900 -1.834 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.168 -4.409 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.765 -4.123 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.858 -2.510 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.191 -5.707 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.190 -5.303 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.679 -4.413 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.597 -2.525 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.944 -2.089 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.850 -3.728 1.221 1.00 0.00 H new ATOM 679 N ALA A 48 -2.086 -2.927 -4.671 1.00 0.00 N ATOM 680 CA ALA A 48 -1.258 -2.645 -5.840 1.00 0.00 C ATOM 681 C ALA A 48 -1.409 -1.187 -6.236 1.00 0.00 C ATOM 682 O ALA A 48 -0.443 -0.525 -6.615 1.00 0.00 O ATOM 683 CB ALA A 48 -1.621 -3.547 -7.009 1.00 0.00 C ATOM 0 H ALA A 48 -2.830 -3.605 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.219 -2.845 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.985 -3.310 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.473 -4.589 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.665 -3.390 -7.279 1.00 0.00 H new ATOM 689 N GLU A 49 -2.638 -0.687 -6.156 1.00 0.00 N ATOM 690 CA GLU A 49 -2.881 0.721 -6.404 1.00 0.00 C ATOM 691 C GLU A 49 -2.069 1.521 -5.394 1.00 0.00 C ATOM 692 O GLU A 49 -1.511 2.575 -5.690 1.00 0.00 O ATOM 693 CB GLU A 49 -4.373 1.048 -6.269 1.00 0.00 C ATOM 694 CG GLU A 49 -4.670 2.532 -6.183 1.00 0.00 C ATOM 695 CD GLU A 49 -6.091 2.869 -6.590 1.00 0.00 C ATOM 696 OE1 GLU A 49 -6.416 2.726 -7.788 1.00 0.00 O ATOM 697 OE2 GLU A 49 -6.880 3.278 -5.712 1.00 0.00 O ATOM 0 H GLU A 49 -3.469 -1.232 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.581 0.977 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.906 0.630 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.764 0.557 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.498 2.874 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.975 3.075 -6.823 1.00 0.00 H new ATOM 704 N LEU A 50 -1.966 0.948 -4.210 1.00 0.00 N ATOM 705 CA LEU A 50 -1.221 1.536 -3.120 1.00 0.00 C ATOM 706 C LEU A 50 0.271 1.600 -3.420 1.00 0.00 C ATOM 707 O LEU A 50 0.860 2.679 -3.447 1.00 0.00 O ATOM 708 CB LEU A 50 -1.453 0.699 -1.875 1.00 0.00 C ATOM 709 CG LEU A 50 -1.541 1.491 -0.595 1.00 0.00 C ATOM 710 CD1 LEU A 50 -0.300 2.342 -0.427 1.00 0.00 C ATOM 711 CD2 LEU A 50 -2.789 2.347 -0.600 1.00 0.00 C ATOM 0 H LEU A 50 -2.401 0.055 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.568 2.559 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.376 0.132 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.644 -0.026 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.602 0.805 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.372 2.911 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.580 1.699 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.213 3.029 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.844 2.915 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.755 3.035 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.668 1.708 -0.687 1.00 0.00 H new ATOM 717 N GLU A 51 0.883 0.440 -3.635 1.00 0.00 N ATOM 718 CA GLU A 51 2.317 0.384 -3.895 1.00 0.00 C ATOM 719 C GLU A 51 2.708 1.367 -4.993 1.00 0.00 C ATOM 720 O GLU A 51 3.765 1.995 -4.922 1.00 0.00 O ATOM 721 CB GLU A 51 2.755 -1.032 -4.270 1.00 0.00 C ATOM 722 CG GLU A 51 1.892 -1.673 -5.333 1.00 0.00 C ATOM 723 CD GLU A 51 2.299 -1.274 -6.738 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.378 -0.666 -6.893 1.00 0.00 O ATOM 725 OE2 GLU A 51 1.537 -1.572 -7.683 1.00 0.00 O ATOM 0 H GLU A 51 0.414 -0.466 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 51 2.831 0.668 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.787 -1.003 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.740 -1.656 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.950 -2.757 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.852 -1.393 -5.168 1.00 0.00 H new ATOM 732 N VAL A 52 1.849 1.515 -6.001 1.00 0.00 N ATOM 733 CA VAL A 52 2.116 2.462 -7.076 1.00 0.00 C ATOM 734 C VAL A 52 2.045 3.880 -6.557 1.00 0.00 C ATOM 735 O VAL A 52 2.746 4.773 -7.035 1.00 0.00 O ATOM 736 CB VAL A 52 1.166 2.276 -8.282 1.00 0.00 C ATOM 737 CG1 VAL A 52 -0.242 2.775 -7.990 1.00 0.00 C ATOM 738 CG2 VAL A 52 1.735 2.965 -9.514 1.00 0.00 C ATOM 0 H VAL A 52 0.975 0.998 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 52 3.125 2.261 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 52 1.091 1.206 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.871 2.623 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.656 2.223 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.209 3.837 -7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.056 2.826 -10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.851 4.030 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.706 2.533 -9.756 1.00 0.00 H new ATOM 742 N GLN A 53 1.242 4.055 -5.534 1.00 0.00 N ATOM 743 CA GLN A 53 1.105 5.345 -4.891 1.00 0.00 C ATOM 744 C GLN A 53 2.359 5.653 -4.062 1.00 0.00 C ATOM 745 O GLN A 53 3.389 6.024 -4.626 1.00 0.00 O ATOM 746 CB GLN A 53 -0.176 5.379 -4.049 1.00 0.00 C ATOM 747 CG GLN A 53 -1.437 5.112 -4.855 1.00 0.00 C ATOM 748 CD GLN A 53 -2.267 6.361 -5.075 1.00 0.00 C ATOM 749 OE1 GLN A 53 -1.776 7.362 -5.597 1.00 0.00 O ATOM 750 NE2 GLN A 53 -3.532 6.309 -4.675 1.00 0.00 N ATOM 0 H GLN A 53 0.669 3.316 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 53 1.016 6.126 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.099 4.638 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.260 6.354 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.163 4.688 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.041 4.365 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.897 5.458 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.139 7.120 -4.796 1.00 0.00 H new ATOM 757 N THR A 54 2.292 5.446 -2.748 1.00 0.00 N ATOM 758 CA THR A 54 3.434 5.667 -1.863 1.00 0.00 C ATOM 759 C THR A 54 4.027 7.064 -2.044 1.00 0.00 C ATOM 760 O THR A 54 3.733 7.754 -3.020 1.00 0.00 O ATOM 761 CB THR A 54 4.500 4.599 -2.104 1.00 0.00 C ATOM 762 OG1 THR A 54 4.954 4.623 -3.445 1.00 0.00 O ATOM 763 CG2 THR A 54 4.000 3.204 -1.808 1.00 0.00 C ATOM 0 H THR A 54 1.451 5.123 -2.270 1.00 0.00 H new ATOM 0 HA THR A 54 3.079 5.592 -0.835 1.00 0.00 H new ATOM 0 HB THR A 54 5.315 4.838 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.667 5.457 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.797 2.484 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.693 3.141 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.149 2.979 -2.450 1.00 0.00 H new ATOM 768 N GLY A 55 4.836 7.490 -1.076 1.00 0.00 N ATOM 769 CA GLY A 55 5.460 8.805 -1.143 1.00 0.00 C ATOM 770 C GLY A 55 4.510 9.889 -1.622 1.00 0.00 C ATOM 771 O GLY A 55 4.936 10.872 -2.230 1.00 0.00 O ATOM 0 H GLY A 55 5.072 6.948 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.839 9.072 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.319 8.760 -1.813 1.00 0.00 H new ATOM 775 N MET A 56 3.221 9.703 -1.360 1.00 0.00 N ATOM 776 CA MET A 56 2.209 10.664 -1.779 1.00 0.00 C ATOM 777 C MET A 56 2.246 11.917 -0.909 1.00 0.00 C ATOM 778 O MET A 56 1.662 11.949 0.173 1.00 0.00 O ATOM 779 CB MET A 56 0.818 10.027 -1.720 1.00 0.00 C ATOM 780 CG MET A 56 -0.227 10.771 -2.533 1.00 0.00 C ATOM 781 SD MET A 56 0.235 10.945 -4.267 1.00 0.00 S ATOM 782 CE MET A 56 0.982 9.348 -4.580 1.00 0.00 C ATOM 0 H MET A 56 2.853 8.895 -0.859 1.00 0.00 H new ATOM 0 HA MET A 56 2.427 10.956 -2.806 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.882 9.000 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 56 0.493 9.981 -0.681 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.178 10.242 -2.466 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.381 11.760 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.979 9.149 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.009 9.348 -4.214 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.414 8.573 -4.065 1.00 0.00 H new ATOM 792 N THR A 57 2.934 12.946 -1.392 1.00 0.00 N ATOM 793 CA THR A 57 3.043 14.204 -0.661 1.00 0.00 C ATOM 794 C THR A 57 2.045 15.226 -1.187 1.00 0.00 C ATOM 795 O THR A 57 1.557 16.076 -0.442 1.00 0.00 O ATOM 796 CB THR A 57 4.463 14.761 -0.771 1.00 0.00 C ATOM 797 OG1 THR A 57 5.392 13.889 -0.150 1.00 0.00 O ATOM 798 CG2 THR A 57 4.618 16.126 -0.137 1.00 0.00 C ATOM 0 H THR A 57 3.425 12.934 -2.286 1.00 0.00 H new ATOM 0 HA THR A 57 2.817 14.006 0.387 1.00 0.00 H new ATOM 0 HB THR A 57 4.659 14.850 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.295 14.261 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.648 16.464 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.948 16.833 -0.627 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.369 16.065 0.923 1.00 0.00 H new ATOM 803 N GLN A 58 1.755 15.139 -2.477 1.00 0.00 N ATOM 804 CA GLN A 58 0.816 16.055 -3.116 1.00 0.00 C ATOM 805 C GLN A 58 1.149 17.504 -2.778 1.00 0.00 C ATOM 806 O GLN A 58 1.242 18.345 -3.669 1.00 99.99 O ATOM 807 CB GLN A 58 -0.617 15.735 -2.686 1.00 0.00 C ATOM 808 CG GLN A 58 -0.875 14.252 -2.468 1.00 0.00 C ATOM 809 CD GLN A 58 -2.316 13.957 -2.101 1.00 0.00 C ATOM 810 OE1 GLN A 58 -3.192 13.914 -2.964 1.00 0.00 O ATOM 811 NE2 GLN A 58 -2.568 13.752 -0.814 1.00 0.00 N ATOM 0 H GLN A 58 2.156 14.442 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 58 0.902 15.925 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.838 16.272 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.306 16.107 -3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.616 13.705 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.221 13.886 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.810 13.797 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.519 13.549 -0.507 1.00 0.00 H new TER 818 GLN A 58