USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 4 MET CE :methyl 168:sc= -0.384 (180deg=-0.514) USER MOD Set 1.2: A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.0396 F(o=-1.5,f=0.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 38:sc= 0.512 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -100:sc= -1.24 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.291 USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.863 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 178:sc= -1.6 (180deg=-1.71) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.12) USER MOD Single : A 61 SER OG : rot 81:sc= 0.0525 USER MOD Single : A 64 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0864 X(o=-0.086,f=-0.083) USER MOD Single : A 70 MET CE :methyl -178:sc= -1.08 (180deg=-1.11) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.286 -0.905 0.672 1.00 0.00 N ATOM 2 CA ALA A 1 3.436 -0.877 -0.224 1.00 0.00 C ATOM 3 C ALA A 1 3.559 -2.185 -0.999 1.00 0.00 C ATOM 4 O ALA A 1 4.550 -2.904 -0.868 1.00 0.00 O ATOM 5 CB ALA A 1 4.710 -0.605 0.561 1.00 0.00 C ATOM 0 H1 ALA A 1 2.225 -0.004 1.187 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.417 -1.046 0.118 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.394 -1.685 1.351 1.00 0.00 H new ATOM 0 HA ALA A 1 3.286 -0.071 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.560 -0.587 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.628 0.358 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.856 -1.391 1.302 1.00 0.00 H new ATOM 11 N ASP A 2 2.547 -2.487 -1.805 1.00 0.00 N ATOM 12 CA ASP A 2 2.543 -3.708 -2.602 1.00 0.00 C ATOM 13 C ASP A 2 3.257 -3.491 -3.933 1.00 0.00 C ATOM 14 O ASP A 2 3.660 -2.375 -4.257 1.00 0.00 O ATOM 15 CB ASP A 2 1.108 -4.176 -2.849 1.00 0.00 C ATOM 16 CG ASP A 2 0.389 -4.541 -1.565 1.00 0.00 C ATOM 17 OD1 ASP A 2 0.870 -5.447 -0.853 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.654 -3.921 -1.273 1.00 0.00 O ATOM 0 H ASP A 2 1.719 -1.903 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 2 3.077 -4.478 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.555 -3.388 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.120 -5.040 -3.514 1.00 0.00 H new ATOM 23 N ASP A 3 3.410 -4.567 -4.698 1.00 0.00 N ATOM 24 CA ASP A 3 4.075 -4.494 -5.994 1.00 0.00 C ATOM 25 C ASP A 3 3.057 -4.349 -7.120 1.00 0.00 C ATOM 26 O ASP A 3 3.234 -3.540 -8.030 1.00 0.00 O ATOM 27 CB ASP A 3 4.931 -5.741 -6.221 1.00 0.00 C ATOM 28 CG ASP A 3 5.896 -5.997 -5.080 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.145 -5.060 -4.293 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.403 -7.134 -4.975 1.00 0.00 O ATOM 0 H ASP A 3 3.083 -5.499 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 3 4.719 -3.614 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.281 -6.607 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.492 -5.629 -7.149 1.00 0.00 H new ATOM 35 N MET A 4 1.990 -5.139 -7.052 1.00 0.00 N ATOM 36 CA MET A 4 0.943 -5.098 -8.067 1.00 0.00 C ATOM 37 C MET A 4 0.480 -3.665 -8.312 1.00 0.00 C ATOM 38 O MET A 4 0.091 -3.312 -9.424 1.00 0.00 O ATOM 39 CB MET A 4 -0.244 -5.965 -7.641 1.00 0.00 C ATOM 40 CG MET A 4 -0.022 -7.451 -7.868 1.00 0.00 C ATOM 41 SD MET A 4 -0.629 -8.007 -9.472 1.00 0.00 S ATOM 42 CE MET A 4 0.913 -8.311 -10.331 1.00 0.00 C ATOM 0 H MET A 4 1.828 -5.815 -6.305 1.00 0.00 H new ATOM 0 HA MET A 4 1.356 -5.491 -8.996 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.448 -5.794 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.130 -5.650 -8.192 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.043 -7.671 -7.791 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.522 -8.014 -7.080 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.714 -8.857 -11.253 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.391 -7.360 -10.568 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.574 -8.901 -9.695 1.00 0.00 H new ATOM 52 N GLU A 5 0.524 -2.847 -7.265 1.00 0.00 N ATOM 53 CA GLU A 5 0.107 -1.453 -7.368 1.00 0.00 C ATOM 54 C GLU A 5 1.035 -0.675 -8.297 1.00 0.00 C ATOM 55 O GLU A 5 0.588 0.172 -9.070 1.00 0.00 O ATOM 56 CB GLU A 5 0.086 -0.800 -5.985 1.00 0.00 C ATOM 57 CG GLU A 5 -0.543 0.583 -5.974 1.00 0.00 C ATOM 58 CD GLU A 5 -1.032 0.991 -4.598 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.183 0.653 -4.253 1.00 0.00 O ATOM 60 OE2 GLU A 5 -0.262 1.648 -3.866 1.00 0.00 O ATOM 0 H GLU A 5 0.844 -3.125 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.899 -1.431 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.461 -1.444 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.107 -0.728 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.186 1.312 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.379 0.603 -6.673 1.00 0.00 H new ATOM 67 N ARG A 6 2.328 -0.969 -8.213 1.00 0.00 N ATOM 68 CA ARG A 6 3.320 -0.296 -9.043 1.00 0.00 C ATOM 69 C ARG A 6 3.078 -0.585 -10.521 1.00 0.00 C ATOM 70 O ARG A 6 2.831 0.327 -11.310 1.00 0.00 O ATOM 71 CB ARG A 6 4.730 -0.739 -8.650 1.00 0.00 C ATOM 72 CG ARG A 6 5.386 0.164 -7.617 1.00 0.00 C ATOM 73 CD ARG A 6 5.759 1.512 -8.212 1.00 0.00 C ATOM 74 NE ARG A 6 6.301 2.423 -7.208 1.00 0.00 N ATOM 75 CZ ARG A 6 5.563 3.004 -6.268 1.00 0.00 C ATOM 76 NH1 ARG A 6 4.260 2.771 -6.205 1.00 0.00 N ATOM 77 NH2 ARG A 6 6.130 3.821 -5.389 1.00 0.00 N ATOM 0 H ARG A 6 2.713 -1.669 -7.579 1.00 0.00 H new ATOM 0 HA ARG A 6 3.225 0.778 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.686 -1.755 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.354 -0.769 -9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.707 0.311 -6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.279 -0.321 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.493 1.368 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.879 1.961 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 6 7.301 2.624 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.821 2.144 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.696 3.218 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.133 4.003 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.563 4.267 -4.668 1.00 0.00 H new ATOM 91 N ILE A 7 3.150 -1.860 -10.889 1.00 0.00 N ATOM 92 CA ILE A 7 2.939 -2.269 -12.272 1.00 0.00 C ATOM 93 C ILE A 7 1.604 -1.754 -12.799 1.00 0.00 C ATOM 94 O ILE A 7 1.535 -1.169 -13.880 1.00 0.00 O ATOM 95 CB ILE A 7 2.979 -3.802 -12.418 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.227 -4.368 -11.739 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.943 -4.195 -13.887 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.948 -5.010 -10.398 1.00 0.00 C ATOM 0 H ILE A 7 3.353 -2.627 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 7 3.750 -1.835 -12.857 1.00 0.00 H new ATOM 0 HB ILE A 7 2.100 -4.222 -11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.686 -5.106 -12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.953 -3.566 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.972 -5.281 -13.974 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.027 -3.819 -14.342 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.805 -3.767 -14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.879 -5.389 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.518 -4.270 -9.723 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.246 -5.834 -10.528 1.00 0.00 H new ATOM 110 N PHE A 8 0.544 -1.974 -12.027 1.00 0.00 N ATOM 111 CA PHE A 8 -0.790 -1.531 -12.416 1.00 0.00 C ATOM 112 C PHE A 8 -0.787 -0.049 -12.778 1.00 0.00 C ATOM 113 O PHE A 8 -1.453 0.372 -13.724 1.00 0.00 O ATOM 114 CB PHE A 8 -1.786 -1.789 -11.283 1.00 0.00 C ATOM 115 CG PHE A 8 -3.154 -1.229 -11.549 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.078 -1.946 -12.292 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.516 0.014 -11.057 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.338 -1.435 -12.539 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.775 0.531 -11.299 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.686 -0.194 -12.042 1.00 0.00 C ATOM 0 H PHE A 8 0.583 -2.456 -11.129 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.093 -2.101 -13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.867 -2.864 -11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.397 -1.355 -10.362 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.810 -2.916 -12.683 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.806 0.586 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.049 -2.005 -13.119 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.046 1.500 -10.908 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.669 0.209 -12.234 1.00 0.00 H new ATOM 130 N LYS A 9 -0.033 0.738 -12.018 1.00 0.00 N ATOM 131 CA LYS A 9 0.059 2.174 -12.257 1.00 0.00 C ATOM 132 C LYS A 9 1.066 2.478 -13.362 1.00 0.00 C ATOM 133 O LYS A 9 1.037 3.553 -13.962 1.00 0.00 O ATOM 134 CB LYS A 9 0.460 2.901 -10.972 1.00 0.00 C ATOM 135 CG LYS A 9 -0.665 3.009 -9.958 1.00 0.00 C ATOM 136 CD LYS A 9 -0.178 3.600 -8.645 1.00 0.00 C ATOM 137 CE LYS A 9 -1.180 3.369 -7.524 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.993 4.585 -7.247 1.00 0.00 N ATOM 0 H LYS A 9 0.524 0.405 -11.231 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.921 2.528 -12.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.300 2.378 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.808 3.903 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.463 3.630 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.090 2.021 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.779 3.153 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.007 4.670 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.840 2.544 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.650 3.073 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.663 4.386 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.366 5.366 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.519 4.854 -8.103 1.00 0.00 H new ATOM 152 N ARG A 10 1.953 1.525 -13.626 1.00 0.00 N ATOM 153 CA ARG A 10 2.969 1.691 -14.659 1.00 0.00 C ATOM 154 C ARG A 10 2.331 2.068 -15.993 1.00 0.00 C ATOM 155 O ARG A 10 2.689 3.076 -16.601 1.00 0.00 O ATOM 156 CB ARG A 10 3.783 0.406 -14.816 1.00 0.00 C ATOM 157 CG ARG A 10 5.155 0.625 -15.431 1.00 0.00 C ATOM 158 CD ARG A 10 5.718 -0.663 -16.011 1.00 0.00 C ATOM 159 NE ARG A 10 7.157 -0.574 -16.247 1.00 0.00 N ATOM 160 CZ ARG A 10 7.695 0.093 -17.262 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.918 0.727 -18.129 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.013 0.127 -17.410 1.00 0.00 N ATOM 0 H ARG A 10 1.989 0.629 -13.139 1.00 0.00 H new ATOM 0 HA ARG A 10 3.634 2.498 -14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.903 -0.060 -13.838 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.224 -0.295 -15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.087 1.379 -16.215 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.837 1.013 -14.674 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.513 -1.488 -15.329 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.210 -0.891 -16.948 1.00 0.00 H new ATOM 0 HE ARG A 10 7.783 -1.050 -15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.904 0.703 -18.018 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.334 1.238 -18.907 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.614 -0.359 -16.744 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.426 0.639 -18.190 1.00 0.00 H new ATOM 176 N PHE A 11 1.384 1.250 -16.442 1.00 0.00 N ATOM 177 CA PHE A 11 0.697 1.497 -17.704 1.00 0.00 C ATOM 178 C PHE A 11 -0.311 2.633 -17.562 1.00 0.00 C ATOM 179 O PHE A 11 -0.654 3.299 -18.540 1.00 0.00 O ATOM 180 CB PHE A 11 -0.012 0.227 -18.179 1.00 0.00 C ATOM 181 CG PHE A 11 0.897 -0.963 -18.287 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.257 -0.796 -18.496 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.393 -2.249 -18.180 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.096 -1.890 -18.596 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.227 -3.347 -18.280 1.00 0.00 C ATOM 186 CZ PHE A 11 2.580 -3.167 -18.487 1.00 0.00 C ATOM 0 H PHE A 11 1.075 0.411 -15.951 1.00 0.00 H new ATOM 0 HA PHE A 11 1.443 1.788 -18.444 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.823 -0.007 -17.489 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.466 0.416 -19.152 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.666 0.200 -18.582 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.664 -2.396 -18.016 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.154 -1.747 -18.759 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.821 -4.344 -18.196 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.234 -4.023 -18.564 1.00 0.00 H new ATOM 196 N ASP A 12 -0.781 2.849 -16.339 1.00 0.00 N ATOM 197 CA ASP A 12 -1.749 3.905 -16.067 1.00 0.00 C ATOM 198 C ASP A 12 -1.068 5.270 -16.026 1.00 0.00 C ATOM 199 O ASP A 12 -1.041 5.931 -14.987 1.00 0.00 O ATOM 200 CB ASP A 12 -2.468 3.640 -14.744 1.00 0.00 C ATOM 201 CG ASP A 12 -3.860 4.239 -14.711 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.972 5.482 -14.767 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.838 3.466 -14.627 1.00 0.00 O ATOM 0 H ASP A 12 -0.507 2.307 -15.520 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.481 3.908 -16.874 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.535 2.565 -14.579 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.879 4.052 -13.925 1.00 0.00 H new ATOM 208 N THR A 13 -0.517 5.686 -17.162 1.00 0.00 N ATOM 209 CA THR A 13 0.166 6.970 -17.255 1.00 0.00 C ATOM 210 C THR A 13 -0.756 8.043 -17.822 1.00 0.00 C ATOM 211 O THR A 13 -0.315 9.145 -18.146 1.00 0.00 O ATOM 212 CB THR A 13 1.426 6.873 -18.136 1.00 0.00 C ATOM 213 OG1 THR A 13 2.045 5.593 -17.966 1.00 0.00 O ATOM 214 CG2 THR A 13 2.417 7.972 -17.785 1.00 0.00 C ATOM 0 H THR A 13 -0.531 5.152 -18.031 1.00 0.00 H new ATOM 0 HA THR A 13 0.460 7.246 -16.242 1.00 0.00 H new ATOM 0 HB THR A 13 1.126 6.995 -19.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.844 5.539 -18.530 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.299 7.883 -18.420 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.952 8.945 -17.943 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.711 7.876 -16.740 1.00 0.00 H new ATOM 222 N ASN A 14 -2.038 7.714 -17.939 1.00 0.00 N ATOM 223 CA ASN A 14 -3.023 8.652 -18.467 1.00 0.00 C ATOM 224 C ASN A 14 -3.973 9.119 -17.369 1.00 0.00 C ATOM 225 O ASN A 14 -4.999 9.740 -17.644 1.00 0.00 O ATOM 226 CB ASN A 14 -3.817 8.003 -19.603 1.00 0.00 C ATOM 227 CG ASN A 14 -3.833 6.490 -19.506 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.303 5.974 -18.377 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.427 5.793 -20.437 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.420 6.805 -17.676 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.490 9.520 -18.855 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.841 8.376 -19.586 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.385 8.299 -20.559 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.074 6.233 -21.287 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.444 4.776 -20.358 1.00 0.00 H new ATOM 236 N GLY A 15 -3.624 8.815 -16.122 1.00 0.00 N ATOM 237 CA GLY A 15 -4.455 9.212 -15.001 1.00 0.00 C ATOM 238 C GLY A 15 -5.835 8.586 -15.053 1.00 0.00 C ATOM 239 O GLY A 15 -6.818 9.198 -14.633 1.00 0.00 O ATOM 0 H GLY A 15 -2.780 8.301 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.965 8.927 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.552 10.298 -14.991 1.00 0.00 H new ATOM 243 N ASP A 16 -5.910 7.365 -15.571 1.00 0.00 N ATOM 244 CA ASP A 16 -7.180 6.656 -15.678 1.00 0.00 C ATOM 245 C ASP A 16 -7.324 5.629 -14.559 1.00 0.00 C ATOM 246 O ASP A 16 -6.385 5.382 -13.805 1.00 0.00 O ATOM 247 CB ASP A 16 -7.292 5.967 -17.038 1.00 0.00 C ATOM 248 CG ASP A 16 -8.728 5.838 -17.506 1.00 0.00 C ATOM 249 OD1 ASP A 16 -9.300 6.855 -17.950 1.00 0.00 O ATOM 250 OD2 ASP A 16 -9.280 4.720 -17.428 1.00 0.00 O ATOM 0 H ASP A 16 -5.106 6.845 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.984 7.386 -15.583 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.722 6.532 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.842 4.976 -16.978 1.00 0.00 H new ATOM 255 N GLY A 17 -8.509 5.033 -14.459 1.00 0.00 N ATOM 256 CA GLY A 17 -8.755 4.040 -13.429 1.00 0.00 C ATOM 257 C GLY A 17 -8.505 2.626 -13.916 1.00 0.00 C ATOM 258 O GLY A 17 -8.802 1.659 -13.215 1.00 0.00 O ATOM 0 H GLY A 17 -9.302 5.220 -15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.114 4.244 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.786 4.126 -13.085 1.00 0.00 H new ATOM 262 N LYS A 18 -7.960 2.505 -15.122 1.00 0.00 N ATOM 263 CA LYS A 18 -7.671 1.200 -15.703 1.00 0.00 C ATOM 264 C LYS A 18 -6.451 1.269 -16.617 1.00 0.00 C ATOM 265 O LYS A 18 -5.930 2.351 -16.890 1.00 0.00 O ATOM 266 CB LYS A 18 -8.881 0.689 -16.488 1.00 0.00 C ATOM 267 CG LYS A 18 -10.172 0.697 -15.689 1.00 0.00 C ATOM 268 CD LYS A 18 -11.351 0.236 -16.529 1.00 0.00 C ATOM 269 CE LYS A 18 -12.625 0.979 -16.157 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.841 0.157 -16.409 1.00 0.00 N ATOM 0 H LYS A 18 -7.710 3.296 -15.716 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.455 0.508 -14.889 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.011 1.303 -17.379 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.680 -0.327 -16.828 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.067 0.047 -14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.362 1.703 -15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.131 0.395 -17.585 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.500 -0.835 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.588 1.259 -15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.687 1.904 -16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.688 0.699 -16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.891 -0.089 -17.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.795 -0.714 -15.842 1.00 0.00 H new ATOM 284 N ILE A 19 -6.003 0.110 -17.087 1.00 0.00 N ATOM 285 CA ILE A 19 -4.846 0.041 -17.972 1.00 0.00 C ATOM 286 C ILE A 19 -5.116 -0.879 -19.157 1.00 0.00 C ATOM 287 O ILE A 19 -5.768 -1.914 -19.018 1.00 0.00 O ATOM 288 CB ILE A 19 -3.595 -0.456 -17.225 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.861 -1.825 -16.594 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.177 0.550 -16.163 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.647 -2.426 -15.920 1.00 0.00 C ATOM 0 H ILE A 19 -6.423 -0.794 -16.870 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.664 1.053 -18.334 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.780 -0.559 -17.941 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.663 -1.729 -15.862 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.214 -2.509 -17.365 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.291 0.184 -15.644 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.951 1.506 -16.636 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.988 0.682 -15.447 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.909 -3.395 -15.495 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.850 -2.554 -16.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.306 -1.762 -15.126 1.00 0.00 H new ATOM 303 N SER A 20 -4.608 -0.495 -20.324 1.00 0.00 N ATOM 304 CA SER A 20 -4.796 -1.284 -21.536 1.00 0.00 C ATOM 305 C SER A 20 -4.093 -2.634 -21.420 1.00 0.00 C ATOM 306 O SER A 20 -2.903 -2.702 -21.109 1.00 0.00 O ATOM 307 CB SER A 20 -4.265 -0.523 -22.753 1.00 0.00 C ATOM 308 OG SER A 20 -4.985 -0.868 -23.924 1.00 0.00 O ATOM 0 H SER A 20 -4.063 0.357 -20.456 1.00 0.00 H new ATOM 0 HA SER A 20 -5.864 -1.460 -21.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.343 0.550 -22.577 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.208 -0.747 -22.893 1.00 0.00 H new ATOM 0 HG SER A 20 -5.932 -0.990 -23.702 1.00 0.00 H new ATOM 314 N LEU A 21 -4.837 -3.705 -21.671 1.00 0.00 N ATOM 315 CA LEU A 21 -4.287 -5.054 -21.596 1.00 0.00 C ATOM 316 C LEU A 21 -3.736 -5.494 -22.948 1.00 0.00 C ATOM 317 O LEU A 21 -2.980 -6.462 -23.037 1.00 0.00 O ATOM 318 CB LEU A 21 -5.359 -6.037 -21.124 1.00 0.00 C ATOM 319 CG LEU A 21 -6.761 -5.828 -21.698 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.755 -6.020 -23.206 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.753 -6.777 -21.042 1.00 0.00 C ATOM 0 H LEU A 21 -5.823 -3.666 -21.928 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.468 -5.046 -20.877 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.033 -7.047 -21.374 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.421 -5.982 -20.037 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.071 -4.805 -21.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.761 -5.867 -23.596 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.076 -5.300 -23.662 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.424 -7.031 -23.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.745 -6.614 -21.463 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.446 -7.807 -21.224 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.779 -6.591 -19.968 1.00 0.00 H new ATOM 333 N SER A 22 -4.118 -4.775 -23.999 1.00 0.00 N ATOM 334 CA SER A 22 -3.663 -5.093 -25.348 1.00 0.00 C ATOM 335 C SER A 22 -2.247 -4.576 -25.580 1.00 0.00 C ATOM 336 O SER A 22 -1.407 -5.271 -26.149 1.00 0.00 O ATOM 337 CB SER A 22 -4.614 -4.491 -26.384 1.00 0.00 C ATOM 338 OG SER A 22 -5.804 -5.253 -26.488 1.00 0.00 O ATOM 0 H SER A 22 -4.741 -3.969 -23.943 1.00 0.00 H new ATOM 0 HA SER A 22 -3.657 -6.178 -25.457 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.858 -3.466 -26.106 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.120 -4.449 -27.355 1.00 0.00 H new ATOM 0 HG SER A 22 -6.396 -4.846 -27.155 1.00 0.00 H new ATOM 344 N GLU A 23 -1.991 -3.350 -25.134 1.00 0.00 N ATOM 345 CA GLU A 23 -0.677 -2.738 -25.294 1.00 0.00 C ATOM 346 C GLU A 23 0.349 -3.409 -24.384 1.00 0.00 C ATOM 347 O GLU A 23 1.549 -3.391 -24.663 1.00 0.00 O ATOM 348 CB GLU A 23 -0.746 -1.241 -24.986 1.00 0.00 C ATOM 349 CG GLU A 23 -1.733 -0.485 -25.860 1.00 0.00 C ATOM 350 CD GLU A 23 -1.141 -0.086 -27.198 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.231 -0.793 -27.679 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.589 0.933 -27.764 1.00 0.00 O ATOM 0 H GLU A 23 -2.676 -2.761 -24.659 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.364 -2.874 -26.329 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.022 -1.106 -23.940 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.246 -0.806 -25.113 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.614 -1.105 -26.027 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.068 0.409 -25.334 1.00 0.00 H new ATOM 359 N LEU A 24 -0.131 -3.999 -23.295 1.00 0.00 N ATOM 360 CA LEU A 24 0.743 -4.675 -22.343 1.00 0.00 C ATOM 361 C LEU A 24 1.437 -5.868 -22.993 1.00 0.00 C ATOM 362 O LEU A 24 2.664 -5.907 -23.095 1.00 0.00 O ATOM 363 CB LEU A 24 -0.058 -5.138 -21.125 1.00 0.00 C ATOM 364 CG LEU A 24 0.604 -6.205 -20.252 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.288 -7.597 -20.778 1.00 0.00 C ATOM 366 CD2 LEU A 24 2.109 -5.985 -20.191 1.00 0.00 C ATOM 0 H LEU A 24 -1.121 -4.023 -23.049 1.00 0.00 H new ATOM 0 HA LEU A 24 1.505 -3.966 -22.021 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.270 -4.269 -20.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.017 -5.524 -21.471 1.00 0.00 H new ATOM 0 HG LEU A 24 0.203 -6.121 -19.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.767 -8.343 -20.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.791 -7.753 -20.770 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.661 -7.694 -21.798 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.564 -6.753 -19.566 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.526 -6.042 -21.196 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.316 -5.002 -19.767 1.00 0.00 H new ATOM 378 N THR A 25 0.644 -6.839 -23.434 1.00 0.00 N ATOM 379 CA THR A 25 1.181 -8.033 -24.075 1.00 0.00 C ATOM 380 C THR A 25 2.101 -7.667 -25.235 1.00 0.00 C ATOM 381 O THR A 25 3.076 -8.367 -25.511 1.00 0.00 O ATOM 382 CB THR A 25 0.055 -8.945 -24.597 1.00 0.00 C ATOM 383 OG1 THR A 25 0.603 -9.972 -25.431 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.973 -8.143 -25.379 1.00 0.00 C ATOM 0 H THR A 25 -0.373 -6.822 -23.359 1.00 0.00 H new ATOM 0 HA THR A 25 1.751 -8.570 -23.317 1.00 0.00 H new ATOM 0 HB THR A 25 -0.440 -9.400 -23.739 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.481 -9.729 -26.372 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.758 -8.809 -25.737 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.410 -7.382 -24.732 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.489 -7.662 -26.229 1.00 0.00 H new ATOM 392 N ASP A 26 1.785 -6.567 -25.910 1.00 0.00 N ATOM 393 CA ASP A 26 2.585 -6.107 -27.039 1.00 0.00 C ATOM 394 C ASP A 26 3.794 -5.310 -26.560 1.00 0.00 C ATOM 395 O ASP A 26 4.771 -5.146 -27.290 1.00 0.00 O ATOM 396 CB ASP A 26 1.734 -5.252 -27.980 1.00 0.00 C ATOM 397 CG ASP A 26 2.245 -5.279 -29.407 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.208 -6.361 -30.030 1.00 0.00 O ATOM 399 OD2 ASP A 26 2.682 -4.219 -29.902 1.00 0.00 O ATOM 0 H ASP A 26 0.981 -5.978 -25.695 1.00 0.00 H new ATOM 0 HA ASP A 26 2.942 -6.983 -27.580 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.704 -5.609 -27.959 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.722 -4.223 -27.621 1.00 0.00 H new ATOM 404 N ALA A 27 3.720 -4.815 -25.329 1.00 0.00 N ATOM 405 CA ALA A 27 4.808 -4.035 -24.752 1.00 0.00 C ATOM 406 C ALA A 27 5.829 -4.939 -24.070 1.00 0.00 C ATOM 407 O ALA A 27 7.024 -4.639 -24.051 1.00 0.00 O ATOM 408 CB ALA A 27 4.260 -3.015 -23.765 1.00 0.00 C ATOM 0 H ALA A 27 2.918 -4.940 -24.712 1.00 0.00 H new ATOM 0 HA ALA A 27 5.313 -3.506 -25.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.083 -2.440 -23.342 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.574 -2.342 -24.280 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.729 -3.531 -22.965 1.00 0.00 H new ATOM 414 N LEU A 28 5.353 -6.046 -23.511 1.00 0.00 N ATOM 415 CA LEU A 28 6.226 -6.994 -22.827 1.00 0.00 C ATOM 416 C LEU A 28 7.406 -7.384 -23.711 1.00 0.00 C ATOM 417 O LEU A 28 8.462 -7.777 -23.216 1.00 0.00 O ATOM 418 CB LEU A 28 5.439 -8.243 -22.426 1.00 0.00 C ATOM 419 CG LEU A 28 4.875 -8.255 -21.005 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.979 -9.465 -20.796 1.00 0.00 C ATOM 421 CD2 LEU A 28 6.004 -8.242 -19.984 1.00 0.00 C ATOM 0 H LEU A 28 4.368 -6.309 -23.518 1.00 0.00 H new ATOM 0 HA LEU A 28 6.613 -6.512 -21.929 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.611 -8.366 -23.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.088 -9.110 -22.545 1.00 0.00 H new ATOM 0 HG LEU A 28 4.274 -7.356 -20.865 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.587 -9.456 -19.779 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.151 -9.431 -21.504 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.555 -10.376 -20.955 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.585 -8.251 -18.978 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.631 -9.123 -20.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.606 -7.343 -20.118 1.00 0.00 H new ATOM 433 N ARG A 29 7.220 -7.270 -25.022 1.00 0.00 N ATOM 434 CA ARG A 29 8.269 -7.609 -25.975 1.00 0.00 C ATOM 435 C ARG A 29 9.507 -6.745 -25.752 1.00 0.00 C ATOM 436 O ARG A 29 10.636 -7.197 -25.944 1.00 0.00 O ATOM 437 CB ARG A 29 7.763 -7.433 -27.408 1.00 0.00 C ATOM 438 CG ARG A 29 7.601 -5.979 -27.822 1.00 0.00 C ATOM 439 CD ARG A 29 6.901 -5.858 -29.166 1.00 0.00 C ATOM 440 NE ARG A 29 7.843 -5.609 -30.254 1.00 0.00 N ATOM 441 CZ ARG A 29 7.492 -5.098 -31.429 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.226 -4.782 -31.666 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.407 -4.901 -32.369 1.00 0.00 N ATOM 0 H ARG A 29 6.352 -6.945 -25.448 1.00 0.00 H new ATOM 0 HA ARG A 29 8.542 -8.653 -25.819 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.457 -7.922 -28.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.804 -7.940 -27.511 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.029 -5.445 -27.063 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.580 -5.504 -27.876 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.346 -6.774 -29.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.173 -5.047 -29.124 1.00 0.00 H new ATOM 0 HE ARG A 29 8.825 -5.840 -30.103 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.520 -4.931 -30.945 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.959 -4.390 -32.569 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.382 -5.142 -32.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.136 -4.509 -33.271 1.00 0.00 H new ATOM 457 N THR A 30 9.287 -5.499 -25.344 1.00 0.00 N ATOM 458 CA THR A 30 10.383 -4.571 -25.096 1.00 0.00 C ATOM 459 C THR A 30 11.018 -4.822 -23.733 1.00 0.00 C ATOM 460 O THR A 30 12.190 -4.512 -23.516 1.00 0.00 O ATOM 461 CB THR A 30 9.907 -3.108 -25.166 1.00 0.00 C ATOM 462 OG1 THR A 30 10.993 -2.257 -25.548 1.00 0.00 O ATOM 463 CG2 THR A 30 9.349 -2.655 -23.825 1.00 0.00 C ATOM 0 H THR A 30 8.359 -5.109 -25.178 1.00 0.00 H new ATOM 0 HA THR A 30 11.124 -4.742 -25.876 1.00 0.00 H new ATOM 0 HB THR A 30 9.115 -3.043 -25.912 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.682 -1.329 -25.592 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.019 -1.619 -23.899 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.504 -3.286 -23.551 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.124 -2.735 -23.063 1.00 0.00 H new ATOM 471 N LEU A 31 10.238 -5.386 -22.817 1.00 0.00 N ATOM 472 CA LEU A 31 10.725 -5.681 -21.474 1.00 0.00 C ATOM 473 C LEU A 31 11.634 -6.906 -21.480 1.00 0.00 C ATOM 474 O LEU A 31 12.229 -7.255 -20.462 1.00 0.00 O ATOM 475 CB LEU A 31 9.550 -5.908 -20.522 1.00 0.00 C ATOM 476 CG LEU A 31 9.136 -4.709 -19.668 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.298 -4.239 -18.808 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.630 -3.576 -20.549 1.00 0.00 C ATOM 0 H LEU A 31 9.266 -5.648 -22.980 1.00 0.00 H new ATOM 0 HA LEU A 31 11.304 -4.824 -21.129 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.688 -6.225 -21.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.802 -6.733 -19.856 1.00 0.00 H new ATOM 0 HG LEU A 31 8.326 -5.020 -19.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.984 -3.385 -18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.615 -5.048 -18.150 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.130 -3.946 -19.449 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.340 -2.731 -19.924 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.420 -3.267 -21.233 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.767 -3.917 -21.121 1.00 0.00 H new ATOM 490 N GLY A 32 11.736 -7.554 -22.637 1.00 0.00 N ATOM 491 CA GLY A 32 12.576 -8.732 -22.754 1.00 0.00 C ATOM 492 C GLY A 32 11.806 -10.018 -22.525 1.00 0.00 C ATOM 493 O GLY A 32 12.388 -11.102 -22.502 1.00 0.00 O ATOM 0 H GLY A 32 11.253 -7.285 -23.494 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.029 -8.755 -23.745 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.391 -8.667 -22.033 1.00 0.00 H new ATOM 497 N SER A 33 10.493 -9.897 -22.353 1.00 0.00 N ATOM 498 CA SER A 33 9.643 -11.059 -22.118 1.00 0.00 C ATOM 499 C SER A 33 9.485 -11.882 -23.393 1.00 0.00 C ATOM 500 O SER A 33 9.160 -11.349 -24.455 1.00 0.00 O ATOM 501 CB SER A 33 8.270 -10.617 -21.609 1.00 0.00 C ATOM 502 OG SER A 33 8.072 -11.018 -20.264 1.00 0.00 O ATOM 0 H SER A 33 9.995 -9.007 -22.372 1.00 0.00 H new ATOM 0 HA SER A 33 10.120 -11.682 -21.361 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.182 -9.533 -21.686 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.490 -11.046 -22.238 1.00 0.00 H new ATOM 0 HG SER A 33 7.149 -11.325 -20.147 1.00 0.00 H new ATOM 508 N THR A 34 9.717 -13.186 -23.280 1.00 0.00 N ATOM 509 CA THR A 34 9.601 -14.085 -24.422 1.00 0.00 C ATOM 510 C THR A 34 8.294 -14.868 -24.376 1.00 0.00 C ATOM 511 O THR A 34 8.200 -15.969 -24.917 1.00 0.00 O ATOM 512 CB THR A 34 10.779 -15.076 -24.477 1.00 0.00 C ATOM 513 OG1 THR A 34 10.733 -15.824 -25.698 1.00 0.00 O ATOM 514 CG2 THR A 34 10.741 -16.029 -23.292 1.00 0.00 C ATOM 0 H THR A 34 9.986 -13.643 -22.409 1.00 0.00 H new ATOM 0 HA THR A 34 9.616 -13.463 -25.317 1.00 0.00 H new ATOM 0 HB THR A 34 11.707 -14.506 -24.435 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.819 -16.141 -25.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.583 -16.719 -23.353 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.805 -15.459 -22.365 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.808 -16.592 -23.308 1.00 0.00 H new ATOM 522 N SER A 35 7.287 -14.292 -23.727 1.00 0.00 N ATOM 523 CA SER A 35 5.986 -14.938 -23.607 1.00 0.00 C ATOM 524 C SER A 35 4.865 -13.978 -23.999 1.00 0.00 C ATOM 525 O SER A 35 3.707 -14.178 -23.633 1.00 0.00 O ATOM 526 CB SER A 35 5.769 -15.436 -22.177 1.00 0.00 C ATOM 527 OG SER A 35 6.611 -16.539 -21.889 1.00 0.00 O ATOM 0 H SER A 35 7.348 -13.379 -23.276 1.00 0.00 H new ATOM 0 HA SER A 35 5.967 -15.790 -24.287 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.969 -14.628 -21.473 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.727 -15.725 -22.043 1.00 0.00 H new ATOM 0 HG SER A 35 6.455 -16.838 -20.969 1.00 0.00 H new ATOM 533 N ALA A 36 5.220 -12.937 -24.744 1.00 0.00 N ATOM 534 CA ALA A 36 4.246 -11.948 -25.187 1.00 0.00 C ATOM 535 C ALA A 36 3.067 -12.614 -25.888 1.00 0.00 C ATOM 536 O ALA A 36 1.957 -12.081 -25.898 1.00 0.00 O ATOM 537 CB ALA A 36 4.906 -10.933 -26.110 1.00 0.00 C ATOM 0 H ALA A 36 6.175 -12.757 -25.053 1.00 0.00 H new ATOM 0 HA ALA A 36 3.866 -11.429 -24.307 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.167 -10.200 -26.433 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.710 -10.426 -25.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.314 -11.445 -26.981 1.00 0.00 H new ATOM 543 N ASP A 37 3.314 -13.780 -26.473 1.00 0.00 N ATOM 544 CA ASP A 37 2.272 -14.520 -27.176 1.00 0.00 C ATOM 545 C ASP A 37 1.426 -15.329 -26.198 1.00 0.00 C ATOM 546 O ASP A 37 0.236 -15.546 -26.424 1.00 0.00 O ATOM 547 CB ASP A 37 2.893 -15.447 -28.222 1.00 0.00 C ATOM 548 CG ASP A 37 4.101 -14.830 -28.899 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.098 -13.600 -29.111 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.049 -15.578 -29.215 1.00 0.00 O ATOM 0 H ASP A 37 4.227 -14.234 -26.475 1.00 0.00 H new ATOM 0 HA ASP A 37 1.625 -13.801 -27.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.186 -16.383 -27.746 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.144 -15.693 -28.975 1.00 0.00 H new ATOM 555 N GLU A 38 2.050 -15.775 -25.111 1.00 0.00 N ATOM 556 CA GLU A 38 1.354 -16.562 -24.101 1.00 0.00 C ATOM 557 C GLU A 38 0.571 -15.659 -23.152 1.00 0.00 C ATOM 558 O GLU A 38 -0.475 -16.047 -22.630 1.00 0.00 O ATOM 559 CB GLU A 38 2.351 -17.411 -23.308 1.00 0.00 C ATOM 560 CG GLU A 38 1.690 -18.407 -22.370 1.00 0.00 C ATOM 561 CD GLU A 38 1.326 -19.707 -23.061 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.421 -19.763 -24.305 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.946 -20.667 -22.359 1.00 0.00 O ATOM 0 H GLU A 38 3.035 -15.604 -24.908 1.00 0.00 H new ATOM 0 HA GLU A 38 0.651 -17.221 -24.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.991 -17.951 -24.006 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.997 -16.751 -22.728 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.362 -18.618 -21.538 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.790 -17.960 -21.947 1.00 0.00 H new ATOM 570 N VAL A 39 1.085 -14.453 -22.932 1.00 0.00 N ATOM 571 CA VAL A 39 0.435 -13.494 -22.047 1.00 0.00 C ATOM 572 C VAL A 39 -0.837 -12.940 -22.678 1.00 0.00 C ATOM 573 O VAL A 39 -1.807 -12.641 -21.981 1.00 0.00 O ATOM 574 CB VAL A 39 1.375 -12.325 -21.699 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.682 -11.499 -22.939 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.764 -11.457 -20.609 1.00 0.00 C ATOM 0 H VAL A 39 1.950 -14.117 -23.355 1.00 0.00 H new ATOM 0 HA VAL A 39 0.180 -14.029 -21.132 1.00 0.00 H new ATOM 0 HB VAL A 39 2.312 -12.735 -21.323 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.348 -10.678 -22.673 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.164 -12.130 -23.686 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.755 -11.097 -23.347 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.442 -10.636 -20.375 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.188 -11.055 -20.955 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.600 -12.058 -19.714 1.00 0.00 H new ATOM 586 N GLN A 40 -0.825 -12.804 -24.000 1.00 0.00 N ATOM 587 CA GLN A 40 -1.979 -12.284 -24.724 1.00 0.00 C ATOM 588 C GLN A 40 -3.203 -13.167 -24.504 1.00 0.00 C ATOM 589 O GLN A 40 -4.318 -12.671 -24.345 1.00 0.00 O ATOM 590 CB GLN A 40 -1.668 -12.187 -26.219 1.00 0.00 C ATOM 591 CG GLN A 40 -2.901 -12.278 -27.104 1.00 0.00 C ATOM 592 CD GLN A 40 -2.566 -12.194 -28.580 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.511 -12.888 -28.989 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -3.250 -11.512 -29.345 1.00 0.00 N flip ATOM 0 H GLN A 40 -0.030 -13.046 -24.591 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.198 -11.288 -24.340 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.159 -11.243 -26.415 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.977 -12.985 -26.490 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.418 -13.217 -26.905 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.590 -11.474 -26.845 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.053 -10.994 -28.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.013 -11.465 -30.336 1.00 0.00 H new ATOM 603 N ARG A 41 -2.987 -14.479 -24.496 1.00 0.00 N ATOM 604 CA ARG A 41 -4.073 -15.431 -24.297 1.00 0.00 C ATOM 605 C ARG A 41 -4.411 -15.568 -22.815 1.00 0.00 C ATOM 606 O ARG A 41 -5.498 -16.019 -22.456 1.00 0.00 O ATOM 607 CB ARG A 41 -3.695 -16.796 -24.874 1.00 0.00 C ATOM 608 CG ARG A 41 -2.399 -17.357 -24.312 1.00 0.00 C ATOM 609 CD ARG A 41 -2.061 -18.705 -24.928 1.00 0.00 C ATOM 610 NE ARG A 41 -2.790 -19.797 -24.289 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.673 -21.070 -24.650 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.859 -21.409 -25.641 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.370 -22.007 -24.020 1.00 0.00 N ATOM 0 H ARG A 41 -2.070 -14.906 -24.625 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.953 -15.055 -24.819 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.502 -17.501 -24.676 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.605 -16.711 -25.957 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.586 -16.656 -24.500 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.486 -17.462 -23.230 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.296 -18.686 -25.992 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.989 -18.885 -24.841 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.424 -19.570 -23.523 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.321 -20.692 -26.127 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.771 -22.387 -25.917 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.997 -21.750 -23.257 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.279 -22.984 -24.298 1.00 0.00 H new ATOM 627 N MET A 42 -3.471 -15.177 -21.961 1.00 0.00 N ATOM 628 CA MET A 42 -3.670 -15.256 -20.518 1.00 0.00 C ATOM 629 C MET A 42 -4.509 -14.084 -20.020 1.00 0.00 C ATOM 630 O MET A 42 -5.467 -14.269 -19.270 1.00 0.00 O ATOM 631 CB MET A 42 -2.321 -15.275 -19.797 1.00 0.00 C ATOM 632 CG MET A 42 -1.523 -16.546 -20.035 1.00 0.00 C ATOM 633 SD MET A 42 -1.797 -17.789 -18.757 1.00 0.00 S ATOM 634 CE MET A 42 -1.295 -19.277 -19.618 1.00 0.00 C ATOM 0 H MET A 42 -2.565 -14.803 -22.242 1.00 0.00 H new ATOM 0 HA MET A 42 -4.204 -16.181 -20.300 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.731 -14.419 -20.124 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.489 -15.156 -18.727 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.792 -16.963 -21.005 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.462 -16.301 -20.077 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.408 -20.136 -18.956 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.919 -19.415 -20.501 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.252 -19.187 -19.922 1.00 0.00 H new ATOM 644 N MET A 43 -4.143 -12.878 -20.442 1.00 0.00 N ATOM 645 CA MET A 43 -4.864 -11.676 -20.039 1.00 0.00 C ATOM 646 C MET A 43 -6.348 -11.795 -20.372 1.00 0.00 C ATOM 647 O MET A 43 -7.185 -11.124 -19.768 1.00 0.00 O ATOM 648 CB MET A 43 -4.272 -10.445 -20.727 1.00 0.00 C ATOM 649 CG MET A 43 -4.097 -10.613 -22.228 1.00 0.00 C ATOM 650 SD MET A 43 -4.621 -9.159 -23.156 1.00 0.00 S ATOM 651 CE MET A 43 -4.748 -9.839 -24.808 1.00 0.00 C ATOM 0 H MET A 43 -3.352 -12.707 -21.063 1.00 0.00 H new ATOM 0 HA MET A 43 -4.760 -11.565 -18.960 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.918 -9.588 -20.539 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.304 -10.219 -20.280 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.050 -10.821 -22.447 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.670 -11.478 -22.562 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.098 -9.067 -25.493 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.770 -10.195 -25.131 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.454 -10.670 -24.806 1.00 0.00 H new ATOM 661 N ALA A 44 -6.667 -12.652 -21.336 1.00 0.00 N ATOM 662 CA ALA A 44 -8.050 -12.859 -21.748 1.00 0.00 C ATOM 663 C ALA A 44 -8.886 -13.419 -20.602 1.00 0.00 C ATOM 664 O ALA A 44 -10.111 -13.314 -20.607 1.00 0.00 O ATOM 665 CB ALA A 44 -8.109 -13.789 -22.950 1.00 0.00 C ATOM 0 H ALA A 44 -5.986 -13.214 -21.847 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.468 -11.892 -22.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.148 -13.935 -23.247 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.553 -13.349 -23.778 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.668 -14.751 -22.688 1.00 0.00 H new ATOM 671 N GLU A 45 -8.214 -14.014 -19.621 1.00 0.00 N ATOM 672 CA GLU A 45 -8.896 -14.592 -18.469 1.00 0.00 C ATOM 673 C GLU A 45 -9.428 -13.499 -17.547 1.00 0.00 C ATOM 674 O GLU A 45 -10.590 -13.526 -17.141 1.00 0.00 O ATOM 675 CB GLU A 45 -7.949 -15.511 -17.695 1.00 0.00 C ATOM 676 CG GLU A 45 -7.371 -16.637 -18.536 1.00 0.00 C ATOM 677 CD GLU A 45 -8.327 -17.805 -18.683 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.135 -17.794 -19.635 1.00 0.00 O ATOM 679 OE2 GLU A 45 -8.268 -18.730 -17.846 1.00 0.00 O ATOM 0 H GLU A 45 -7.199 -14.108 -19.601 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.740 -15.177 -18.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.131 -14.916 -17.288 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.484 -15.940 -16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.117 -16.254 -19.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.444 -16.986 -18.081 1.00 0.00 H new ATOM 686 N ILE A 46 -8.569 -12.539 -17.221 1.00 0.00 N ATOM 687 CA ILE A 46 -8.952 -11.437 -16.347 1.00 0.00 C ATOM 688 C ILE A 46 -9.934 -10.500 -17.043 1.00 0.00 C ATOM 689 O ILE A 46 -10.781 -9.884 -16.398 1.00 0.00 O ATOM 690 CB ILE A 46 -7.724 -10.628 -15.890 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.958 -10.094 -17.103 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.818 -11.486 -15.020 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.842 -9.139 -16.740 1.00 0.00 C ATOM 0 H ILE A 46 -7.604 -12.502 -17.549 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.431 -11.879 -15.473 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.066 -9.780 -15.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.540 -10.934 -17.658 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.656 -9.588 -17.770 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.955 -10.900 -14.705 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.369 -11.822 -14.141 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.480 -12.352 -15.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.343 -8.801 -17.648 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.256 -8.280 -16.212 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.122 -9.647 -16.098 1.00 0.00 H new ATOM 705 N ASP A 47 -9.814 -10.400 -18.362 1.00 0.00 N ATOM 706 CA ASP A 47 -10.693 -9.539 -19.146 1.00 0.00 C ATOM 707 C ASP A 47 -11.945 -10.293 -19.583 1.00 0.00 C ATOM 708 O ASP A 47 -11.885 -11.180 -20.435 1.00 0.00 O ATOM 709 CB ASP A 47 -9.953 -9.003 -20.374 1.00 0.00 C ATOM 710 CG ASP A 47 -10.614 -7.768 -20.952 1.00 0.00 C ATOM 711 OD1 ASP A 47 -10.494 -6.647 -20.250 1.00 0.00 O ATOM 712 OD2 ASP A 47 -11.226 -7.821 -22.019 1.00 0.00 O ATOM 0 H ASP A 47 -9.117 -10.904 -18.911 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.995 -8.702 -18.517 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.924 -8.767 -20.101 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.910 -9.780 -21.137 1.00 0.00 H new ATOM 717 N THR A 48 -13.081 -9.934 -18.994 1.00 0.00 N ATOM 718 CA THR A 48 -14.348 -10.576 -19.320 1.00 0.00 C ATOM 719 C THR A 48 -15.161 -9.726 -20.290 1.00 0.00 C ATOM 720 O THR A 48 -15.998 -10.241 -21.031 1.00 0.00 O ATOM 721 CB THR A 48 -15.188 -10.837 -18.056 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.333 -11.632 -18.384 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.638 -9.527 -17.426 1.00 0.00 C ATOM 0 H THR A 48 -13.149 -9.201 -18.288 1.00 0.00 H new ATOM 0 HA THR A 48 -14.107 -11.530 -19.790 1.00 0.00 H new ATOM 0 HB THR A 48 -14.567 -11.373 -17.338 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.861 -11.795 -17.575 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.230 -9.736 -16.535 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.764 -8.936 -17.151 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.243 -8.969 -18.140 1.00 0.00 H new ATOM 731 N ASP A 49 -14.909 -8.421 -20.281 1.00 0.00 N ATOM 732 CA ASP A 49 -15.616 -7.500 -21.163 1.00 0.00 C ATOM 733 C ASP A 49 -14.931 -7.414 -22.523 1.00 0.00 C ATOM 734 O ASP A 49 -15.311 -6.608 -23.371 1.00 0.00 O ATOM 735 CB ASP A 49 -15.693 -6.111 -20.527 1.00 0.00 C ATOM 736 CG ASP A 49 -14.567 -5.861 -19.543 1.00 0.00 C ATOM 737 OD1 ASP A 49 -13.407 -6.191 -19.872 1.00 0.00 O ATOM 738 OD2 ASP A 49 -14.844 -5.336 -18.445 1.00 0.00 O ATOM 0 H ASP A 49 -14.221 -7.978 -19.673 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.627 -7.881 -21.311 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.662 -5.354 -21.310 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.649 -6.001 -20.016 1.00 0.00 H new ATOM 743 N GLY A 50 -13.917 -8.250 -22.723 1.00 0.00 N ATOM 744 CA GLY A 50 -13.194 -8.252 -23.981 1.00 0.00 C ATOM 745 C GLY A 50 -12.812 -6.856 -24.432 1.00 0.00 C ATOM 746 O GLY A 50 -12.721 -6.586 -25.629 1.00 0.00 O ATOM 0 H GLY A 50 -13.583 -8.926 -22.036 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.293 -8.856 -23.878 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.808 -8.723 -24.749 1.00 0.00 H new ATOM 750 N ASP A 51 -12.589 -5.966 -23.471 1.00 0.00 N ATOM 751 CA ASP A 51 -12.215 -4.590 -23.775 1.00 0.00 C ATOM 752 C ASP A 51 -10.708 -4.395 -23.645 1.00 0.00 C ATOM 753 O ASP A 51 -9.995 -5.282 -23.178 1.00 0.00 O ATOM 754 CB ASP A 51 -12.949 -3.622 -22.846 1.00 0.00 C ATOM 755 CG ASP A 51 -12.156 -3.308 -21.593 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.062 -4.190 -20.713 1.00 0.00 O ATOM 757 OD2 ASP A 51 -11.628 -2.181 -21.492 1.00 0.00 O ATOM 0 H ASP A 51 -12.661 -6.173 -22.475 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.503 -4.381 -24.805 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.157 -2.696 -23.382 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.911 -4.051 -22.566 1.00 0.00 H new ATOM 762 N GLY A 52 -10.229 -3.226 -24.062 1.00 0.00 N ATOM 763 CA GLY A 52 -8.809 -2.936 -23.985 1.00 0.00 C ATOM 764 C GLY A 52 -8.438 -2.188 -22.720 1.00 0.00 C ATOM 765 O GLY A 52 -7.684 -1.216 -22.763 1.00 0.00 O ATOM 0 H GLY A 52 -10.799 -2.475 -24.452 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.248 -3.869 -24.029 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.514 -2.345 -24.852 1.00 0.00 H new ATOM 769 N PHE A 53 -8.970 -2.641 -21.589 1.00 0.00 N ATOM 770 CA PHE A 53 -8.693 -2.006 -20.306 1.00 0.00 C ATOM 771 C PHE A 53 -8.986 -2.960 -19.152 1.00 0.00 C ATOM 772 O PHE A 53 -9.909 -3.772 -19.223 1.00 0.00 O ATOM 773 CB PHE A 53 -9.527 -0.732 -20.153 1.00 0.00 C ATOM 774 CG PHE A 53 -9.233 0.306 -21.198 1.00 0.00 C ATOM 775 CD1 PHE A 53 -8.154 1.163 -21.057 1.00 0.00 C ATOM 776 CD2 PHE A 53 -10.036 0.424 -22.320 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.882 2.120 -22.017 1.00 0.00 C ATOM 778 CE2 PHE A 53 -9.769 1.379 -23.284 1.00 0.00 C ATOM 779 CZ PHE A 53 -8.690 2.227 -23.132 1.00 0.00 C ATOM 0 H PHE A 53 -9.595 -3.445 -21.535 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.635 -1.745 -20.279 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.585 -0.992 -20.198 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.346 -0.305 -19.167 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.518 1.083 -20.188 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.881 -0.238 -22.444 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.038 2.783 -21.895 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.403 1.461 -24.154 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.478 2.973 -23.884 1.00 0.00 H new ATOM 789 N ILE A 54 -8.193 -2.857 -18.091 1.00 0.00 N ATOM 790 CA ILE A 54 -8.366 -3.710 -16.922 1.00 0.00 C ATOM 791 C ILE A 54 -8.207 -2.913 -15.631 1.00 0.00 C ATOM 792 O ILE A 54 -7.343 -2.042 -15.530 1.00 0.00 O ATOM 793 CB ILE A 54 -7.359 -4.875 -16.920 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.937 -4.348 -17.121 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.714 -5.883 -18.003 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.864 -5.362 -16.792 1.00 0.00 C ATOM 0 H ILE A 54 -7.424 -2.191 -18.017 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.377 -4.115 -16.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.407 -5.377 -15.954 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.819 -4.030 -18.157 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.794 -3.465 -16.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.993 -6.701 -17.989 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.714 -6.277 -17.820 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.690 -5.394 -18.977 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.882 -4.919 -16.958 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.955 -5.663 -15.748 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.981 -6.236 -17.433 1.00 0.00 H new ATOM 808 N ASP A 55 -9.045 -3.219 -14.647 1.00 0.00 N ATOM 809 CA ASP A 55 -8.996 -2.533 -13.361 1.00 0.00 C ATOM 810 C ASP A 55 -8.125 -3.299 -12.370 1.00 0.00 C ATOM 811 O ASP A 55 -7.562 -4.343 -12.700 1.00 0.00 O ATOM 812 CB ASP A 55 -10.407 -2.365 -12.794 1.00 0.00 C ATOM 813 CG ASP A 55 -11.442 -2.132 -13.878 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.760 -3.091 -14.611 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.934 -0.990 -13.992 1.00 0.00 O ATOM 0 H ASP A 55 -9.766 -3.937 -14.715 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.557 -1.548 -13.519 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.675 -3.255 -12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.418 -1.526 -12.098 1.00 0.00 H new ATOM 820 N PHE A 56 -8.019 -2.773 -11.154 1.00 0.00 N ATOM 821 CA PHE A 56 -7.214 -3.406 -10.115 1.00 0.00 C ATOM 822 C PHE A 56 -7.590 -4.876 -9.956 1.00 0.00 C ATOM 823 O PHE A 56 -6.722 -5.744 -9.867 1.00 0.00 O ATOM 824 CB PHE A 56 -7.396 -2.675 -8.784 1.00 0.00 C ATOM 825 CG PHE A 56 -6.181 -2.726 -7.901 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.943 -2.331 -8.381 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.278 -3.170 -6.592 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.824 -2.376 -7.571 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.162 -3.218 -5.778 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.933 -2.821 -6.268 1.00 0.00 C ATOM 0 H PHE A 56 -8.480 -1.911 -10.864 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.168 -3.347 -10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.648 -1.633 -8.982 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.241 -3.111 -8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.851 -1.984 -9.400 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.236 -3.482 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.865 -2.063 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.251 -3.566 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.060 -2.858 -5.634 1.00 0.00 H new ATOM 840 N ASN A 57 -8.891 -5.148 -9.921 1.00 0.00 N ATOM 841 CA ASN A 57 -9.383 -6.513 -9.771 1.00 0.00 C ATOM 842 C ASN A 57 -8.992 -7.367 -10.974 1.00 0.00 C ATOM 843 O ASN A 57 -8.597 -8.522 -10.824 1.00 0.00 O ATOM 844 CB ASN A 57 -10.904 -6.513 -9.604 1.00 0.00 C ATOM 845 CG ASN A 57 -11.341 -7.130 -8.290 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.293 -7.909 -8.243 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.645 -6.784 -7.213 1.00 0.00 N ATOM 0 H ASN A 57 -9.623 -4.442 -9.994 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.926 -6.942 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.273 -5.489 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.357 -7.063 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.893 -7.168 -6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.863 -6.135 -7.298 1.00 0.00 H new ATOM 854 N GLU A 58 -9.105 -6.788 -12.165 1.00 0.00 N ATOM 855 CA GLU A 58 -8.764 -7.497 -13.393 1.00 0.00 C ATOM 856 C GLU A 58 -7.274 -7.827 -13.435 1.00 0.00 C ATOM 857 O GLU A 58 -6.887 -8.990 -13.550 1.00 0.00 O ATOM 858 CB GLU A 58 -9.146 -6.660 -14.615 1.00 0.00 C ATOM 859 CG GLU A 58 -10.629 -6.704 -14.943 1.00 0.00 C ATOM 860 CD GLU A 58 -10.923 -6.299 -16.375 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.367 -6.932 -17.297 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.708 -5.348 -16.572 1.00 0.00 O ATOM 0 H GLU A 58 -9.430 -5.831 -12.306 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.326 -8.430 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.851 -5.625 -14.443 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.581 -7.013 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.006 -7.712 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.167 -6.042 -14.265 1.00 0.00 H new ATOM 869 N PHE A 59 -6.443 -6.794 -13.341 1.00 0.00 N ATOM 870 CA PHE A 59 -4.996 -6.972 -13.369 1.00 0.00 C ATOM 871 C PHE A 59 -4.543 -7.921 -12.263 1.00 0.00 C ATOM 872 O PHE A 59 -3.654 -8.748 -12.466 1.00 0.00 O ATOM 873 CB PHE A 59 -4.292 -5.622 -13.219 1.00 0.00 C ATOM 874 CG PHE A 59 -2.821 -5.677 -13.519 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.362 -6.235 -14.701 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.897 -5.171 -12.619 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.010 -6.286 -14.981 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.544 -5.219 -12.893 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.099 -5.778 -14.075 1.00 0.00 C ATOM 0 H PHE A 59 -6.747 -5.825 -13.245 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.727 -7.409 -14.331 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.764 -4.899 -13.885 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.434 -5.258 -12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.070 -6.635 -15.412 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.239 -4.734 -11.692 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.666 -6.722 -15.907 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.165 -4.820 -12.183 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.959 -5.818 -14.291 1.00 0.00 H new ATOM 889 N ILE A 60 -5.161 -7.794 -11.093 1.00 0.00 N ATOM 890 CA ILE A 60 -4.822 -8.640 -9.956 1.00 0.00 C ATOM 891 C ILE A 60 -5.153 -10.101 -10.239 1.00 0.00 C ATOM 892 O ILE A 60 -4.347 -10.993 -9.976 1.00 0.00 O ATOM 893 CB ILE A 60 -5.565 -8.195 -8.682 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.869 -6.984 -8.057 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.642 -9.341 -7.685 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.563 -7.323 -7.373 1.00 0.00 C ATOM 0 H ILE A 60 -5.898 -7.114 -10.908 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.749 -8.538 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.581 -7.907 -8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.681 -6.243 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.540 -6.523 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.170 -9.010 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.177 -10.178 -8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.634 -9.657 -7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.126 -6.417 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.747 -8.041 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.874 -7.756 -8.098 1.00 0.00 H new ATOM 908 N SER A 61 -6.344 -10.338 -10.779 1.00 0.00 N ATOM 909 CA SER A 61 -6.783 -11.692 -11.097 1.00 0.00 C ATOM 910 C SER A 61 -5.721 -12.433 -11.903 1.00 0.00 C ATOM 911 O SER A 61 -5.637 -13.661 -11.862 1.00 0.00 O ATOM 912 CB SER A 61 -8.098 -11.654 -11.879 1.00 0.00 C ATOM 913 OG SER A 61 -9.210 -11.594 -11.003 1.00 0.00 O ATOM 0 H SER A 61 -7.022 -9.610 -11.005 1.00 0.00 H new ATOM 0 HA SER A 61 -6.941 -12.225 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.106 -10.789 -12.542 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.175 -12.539 -12.510 1.00 0.00 H new ATOM 0 HG SER A 61 -9.340 -10.670 -10.703 1.00 0.00 H new ATOM 919 N PHE A 62 -4.909 -11.677 -12.636 1.00 0.00 N ATOM 920 CA PHE A 62 -3.852 -12.261 -13.453 1.00 0.00 C ATOM 921 C PHE A 62 -2.744 -12.839 -12.578 1.00 0.00 C ATOM 922 O PHE A 62 -2.206 -13.909 -12.865 1.00 0.00 O ATOM 923 CB PHE A 62 -3.271 -11.209 -14.401 1.00 0.00 C ATOM 924 CG PHE A 62 -2.529 -11.796 -15.566 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.413 -12.593 -15.363 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.946 -11.553 -16.865 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.727 -13.134 -16.434 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.264 -12.093 -17.940 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.154 -12.885 -17.724 1.00 0.00 C ATOM 0 H PHE A 62 -4.963 -10.659 -12.681 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.287 -13.070 -14.040 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.080 -10.582 -14.775 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.597 -10.560 -13.841 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.076 -12.793 -14.357 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.814 -10.935 -17.040 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.143 -13.751 -16.262 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.599 -11.895 -18.947 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.621 -13.309 -18.562 1.00 0.00 H new ATOM 939 N CYS A 63 -2.409 -12.124 -11.509 1.00 0.00 N ATOM 940 CA CYS A 63 -1.365 -12.564 -10.592 1.00 0.00 C ATOM 941 C CYS A 63 -1.887 -13.646 -9.652 1.00 0.00 C ATOM 942 O CYS A 63 -1.216 -14.648 -9.408 1.00 0.00 O ATOM 943 CB CYS A 63 -0.836 -11.380 -9.781 1.00 0.00 C ATOM 944 SG CYS A 63 0.530 -11.795 -8.672 1.00 0.00 S ATOM 0 H CYS A 63 -2.846 -11.237 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.551 -12.983 -11.183 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.507 -10.601 -10.469 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.653 -10.962 -9.193 1.00 0.00 H new ATOM 0 HG CYS A 63 0.909 -10.729 -8.032 1.00 0.00 H new ATOM 950 N ASN A 64 -3.089 -13.435 -9.126 1.00 0.00 N ATOM 951 CA ASN A 64 -3.701 -14.391 -8.210 1.00 0.00 C ATOM 952 C ASN A 64 -3.837 -15.762 -8.866 1.00 0.00 C ATOM 953 O ASN A 64 -3.965 -16.778 -8.184 1.00 0.00 O ATOM 954 CB ASN A 64 -5.075 -13.891 -7.760 1.00 0.00 C ATOM 955 CG ASN A 64 -5.074 -13.414 -6.321 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.463 -14.147 -5.412 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.635 -12.179 -6.107 1.00 0.00 N ATOM 0 H ASN A 64 -3.659 -12.611 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.053 -14.487 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.393 -13.076 -8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.805 -14.692 -7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.611 -11.803 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.322 -11.606 -6.891 1.00 0.00 H new ATOM 964 N ALA A 65 -3.808 -15.782 -10.195 1.00 0.00 N ATOM 965 CA ALA A 65 -3.925 -17.027 -10.943 1.00 0.00 C ATOM 966 C ALA A 65 -2.575 -17.726 -11.061 1.00 0.00 C ATOM 967 O ALA A 65 -2.506 -18.916 -11.363 1.00 0.00 O ATOM 968 CB ALA A 65 -4.506 -16.760 -12.324 1.00 0.00 C ATOM 0 H ALA A 65 -3.704 -14.950 -10.775 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.600 -17.687 -10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.588 -17.699 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.494 -16.312 -12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.852 -16.078 -12.868 1.00 0.00 H new ATOM 974 N ASN A 66 -1.503 -16.977 -10.821 1.00 0.00 N ATOM 975 CA ASN A 66 -0.154 -17.525 -10.902 1.00 0.00 C ATOM 976 C ASN A 66 0.042 -18.299 -12.202 1.00 0.00 C ATOM 977 O ASN A 66 0.417 -19.472 -12.204 1.00 0.00 O ATOM 978 CB ASN A 66 0.120 -18.438 -9.705 1.00 0.00 C ATOM 979 CG ASN A 66 0.417 -17.657 -8.439 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.552 -17.637 -7.961 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.604 -17.011 -7.889 1.00 0.00 N ATOM 0 H ASN A 66 -1.543 -15.989 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 66 0.551 -16.694 -10.886 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.743 -19.082 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.964 -19.089 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.465 -16.470 -7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.527 -17.056 -8.320 1.00 0.00 H new ATOM 988 N PRO A 67 -0.217 -17.629 -13.334 1.00 0.00 N ATOM 989 CA PRO A 67 -0.076 -18.234 -14.662 1.00 0.00 C ATOM 990 C PRO A 67 1.382 -18.488 -15.030 1.00 0.00 C ATOM 991 O PRO A 67 1.690 -19.408 -15.787 1.00 0.00 O ATOM 992 CB PRO A 67 -0.689 -17.187 -15.596 1.00 0.00 C ATOM 993 CG PRO A 67 -0.541 -15.897 -14.867 1.00 0.00 C ATOM 994 CD PRO A 67 -0.669 -16.229 -13.406 1.00 0.00 C ATOM 0 HA PRO A 67 -0.558 -19.210 -14.719 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.172 -17.161 -16.555 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.736 -17.406 -15.804 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.424 -15.437 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.307 -15.185 -15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.052 -15.575 -12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.696 -16.120 -13.057 1.00 0.00 H new ATOM 1002 N GLY A 68 2.277 -17.666 -14.490 1.00 0.00 N ATOM 1003 CA GLY A 68 3.692 -17.819 -14.774 1.00 0.00 C ATOM 1004 C GLY A 68 4.249 -16.665 -15.582 1.00 0.00 C ATOM 1005 O GLY A 68 5.404 -16.697 -16.009 1.00 0.00 O ATOM 0 H GLY A 68 2.047 -16.897 -13.861 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.241 -17.900 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.852 -18.750 -15.318 1.00 0.00 H new ATOM 1009 N LEU A 69 3.427 -15.644 -15.796 1.00 0.00 N ATOM 1010 CA LEU A 69 3.844 -14.474 -16.562 1.00 0.00 C ATOM 1011 C LEU A 69 4.192 -13.313 -15.636 1.00 0.00 C ATOM 1012 O LEU A 69 5.313 -12.804 -15.657 1.00 0.00 O ATOM 1013 CB LEU A 69 2.737 -14.053 -17.531 1.00 0.00 C ATOM 1014 CG LEU A 69 2.280 -15.117 -18.529 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.479 -15.777 -19.193 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.410 -16.157 -17.839 1.00 0.00 C ATOM 0 H LEU A 69 2.468 -15.602 -15.450 1.00 0.00 H new ATOM 0 HA LEU A 69 4.735 -14.741 -17.131 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.873 -13.735 -16.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.082 -13.183 -18.090 1.00 0.00 H new ATOM 0 HG LEU A 69 1.685 -14.631 -19.302 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.134 -16.531 -19.900 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.062 -15.024 -19.722 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.101 -16.250 -18.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.094 -16.906 -18.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.980 -16.639 -17.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.532 -15.672 -17.413 1.00 0.00 H new ATOM 1028 N MET A 70 3.225 -12.901 -14.822 1.00 0.00 N ATOM 1029 CA MET A 70 3.432 -11.802 -13.885 1.00 0.00 C ATOM 1030 C MET A 70 4.503 -12.157 -12.859 1.00 0.00 C ATOM 1031 O MET A 70 5.067 -11.279 -12.206 1.00 0.00 O ATOM 1032 CB MET A 70 2.122 -11.457 -13.175 1.00 0.00 C ATOM 1033 CG MET A 70 1.053 -10.907 -14.105 1.00 0.00 C ATOM 1034 SD MET A 70 1.001 -9.104 -14.114 1.00 0.00 S ATOM 1035 CE MET A 70 2.002 -8.744 -15.554 1.00 0.00 C ATOM 0 H MET A 70 2.291 -13.311 -14.792 1.00 0.00 H new ATOM 0 HA MET A 70 3.770 -10.933 -14.450 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.739 -12.351 -12.683 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.324 -10.724 -12.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.238 -11.266 -15.117 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.080 -11.293 -13.802 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.094 -7.664 -15.672 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.992 -9.181 -15.427 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.530 -9.167 -16.441 1.00 0.00 H new ATOM 1045 N LYS A 71 4.778 -13.450 -12.720 1.00 0.00 N ATOM 1046 CA LYS A 71 5.781 -13.922 -11.773 1.00 0.00 C ATOM 1047 C LYS A 71 7.116 -13.218 -11.999 1.00 0.00 C ATOM 1048 O LYS A 71 7.720 -12.698 -11.062 1.00 0.00 O ATOM 1049 CB LYS A 71 5.962 -15.436 -11.903 1.00 0.00 C ATOM 1050 CG LYS A 71 4.660 -16.213 -11.820 1.00 0.00 C ATOM 1051 CD LYS A 71 3.983 -16.026 -10.473 1.00 0.00 C ATOM 1052 CE LYS A 71 4.784 -16.670 -9.352 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.163 -15.683 -8.303 1.00 0.00 N ATOM 0 H LYS A 71 4.320 -14.190 -13.252 1.00 0.00 H new ATOM 0 HA LYS A 71 5.433 -13.689 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.446 -15.655 -12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.633 -15.782 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.989 -15.886 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.856 -17.272 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.862 -14.962 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.984 -16.460 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.199 -17.472 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.684 -17.125 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.708 -16.161 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.743 -14.931 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.303 -15.267 -7.891 1.00 0.00 H new ATOM 1067 N ASP A 72 7.568 -13.206 -13.248 1.00 0.00 N ATOM 1068 CA ASP A 72 8.830 -12.564 -13.598 1.00 0.00 C ATOM 1069 C ASP A 72 8.636 -11.066 -13.815 1.00 0.00 C ATOM 1070 O ASP A 72 9.542 -10.270 -13.569 1.00 0.00 O ATOM 1071 CB ASP A 72 9.421 -13.202 -14.856 1.00 0.00 C ATOM 1072 CG ASP A 72 8.397 -13.351 -15.964 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.089 -12.339 -16.628 1.00 0.00 O ATOM 1074 OD2 ASP A 72 7.904 -14.480 -16.168 1.00 0.00 O ATOM 0 H ASP A 72 7.080 -13.633 -14.035 1.00 0.00 H new ATOM 0 HA ASP A 72 9.523 -12.706 -12.769 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.252 -12.594 -15.213 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.827 -14.182 -14.606 1.00 0.00 H new ATOM 1079 N VAL A 73 7.448 -10.690 -14.278 1.00 0.00 N ATOM 1080 CA VAL A 73 7.135 -9.288 -14.529 1.00 0.00 C ATOM 1081 C VAL A 73 7.241 -8.464 -13.251 1.00 0.00 C ATOM 1082 O VAL A 73 7.918 -7.437 -13.217 1.00 0.00 O ATOM 1083 CB VAL A 73 5.720 -9.126 -15.116 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.444 -7.667 -15.449 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.550 -10.003 -16.346 1.00 0.00 C ATOM 0 H VAL A 73 6.687 -11.336 -14.487 1.00 0.00 H new ATOM 0 HA VAL A 73 7.865 -8.925 -15.253 1.00 0.00 H new ATOM 0 HB VAL A 73 4.996 -9.446 -14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.440 -7.572 -15.863 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.522 -7.066 -14.543 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.172 -7.317 -16.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.545 -9.876 -16.747 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.281 -9.716 -17.101 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.702 -11.047 -16.072 1.00 0.00 H new ATOM 1095 N ALA A 74 6.568 -8.922 -12.201 1.00 0.00 N ATOM 1096 CA ALA A 74 6.589 -8.228 -10.919 1.00 0.00 C ATOM 1097 C ALA A 74 7.996 -8.202 -10.331 1.00 0.00 C ATOM 1098 O ALA A 74 8.288 -7.419 -9.428 1.00 0.00 O ATOM 1099 CB ALA A 74 5.621 -8.887 -9.947 1.00 0.00 C ATOM 0 H ALA A 74 6.002 -9.770 -12.213 1.00 0.00 H new ATOM 0 HA ALA A 74 6.275 -7.198 -11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.647 -8.359 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.612 -8.848 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.911 -9.927 -9.794 1.00 0.00 H new ATOM 1105 N LYS A 75 8.864 -9.064 -10.849 1.00 0.00 N ATOM 1106 CA LYS A 75 10.241 -9.141 -10.377 1.00 0.00 C ATOM 1107 C LYS A 75 11.062 -7.967 -10.902 1.00 0.00 C ATOM 1108 O LYS A 75 12.032 -7.544 -10.273 1.00 0.00 O ATOM 1109 CB LYS A 75 10.880 -10.461 -10.814 1.00 0.00 C ATOM 1110 CG LYS A 75 11.919 -10.300 -11.910 1.00 0.00 C ATOM 1111 CD LYS A 75 12.256 -11.631 -12.560 1.00 0.00 C ATOM 1112 CE LYS A 75 12.753 -12.641 -11.537 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.001 -13.317 -11.987 1.00 0.00 N ATOM 0 H LYS A 75 8.638 -9.720 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 75 10.228 -9.095 -9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.346 -10.933 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.098 -11.136 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.547 -9.609 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.824 -9.859 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.373 -12.025 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.018 -11.481 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.935 -12.137 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.979 -13.388 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.308 -13.998 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.821 -13.819 -12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.747 -12.607 -12.133 1.00 0.00 H new ATOM 1127 N VAL A 76 10.667 -7.446 -12.059 1.00 0.00 N ATOM 1128 CA VAL A 76 11.365 -6.319 -12.668 1.00 0.00 C ATOM 1129 C VAL A 76 10.546 -5.039 -12.553 1.00 0.00 C ATOM 1130 O VAL A 76 10.785 -4.070 -13.275 1.00 0.00 O ATOM 1131 CB VAL A 76 11.674 -6.587 -14.153 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.714 -7.688 -14.292 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.401 -6.946 -14.905 1.00 0.00 C ATOM 0 H VAL A 76 9.868 -7.786 -12.594 1.00 0.00 H new ATOM 0 HA VAL A 76 12.303 -6.196 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 76 12.083 -5.677 -14.591 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.919 -7.863 -15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.633 -7.386 -13.789 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.336 -8.605 -13.839 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.637 -7.132 -15.953 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.960 -7.842 -14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.692 -6.121 -14.834 1.00 0.00 H new ATOM 1143 N PHE A 77 9.580 -5.040 -11.641 1.00 0.00 N ATOM 1144 CA PHE A 77 8.725 -3.878 -11.431 1.00 0.00 C ATOM 1145 C PHE A 77 9.514 -2.725 -10.819 1.00 0.00 C ATOM 1146 O PHE A 77 9.337 -1.568 -11.199 1.00 0.00 O ATOM 1147 CB PHE A 77 7.546 -4.242 -10.525 1.00 0.00 C ATOM 1148 CG PHE A 77 7.875 -4.180 -9.061 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.036 -4.758 -8.573 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.022 -3.545 -8.173 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.341 -4.702 -7.226 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.322 -3.485 -6.825 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.482 -4.066 -6.351 1.00 0.00 C ATOM 0 H PHE A 77 9.370 -5.833 -11.035 1.00 0.00 H new ATOM 0 HA PHE A 77 8.344 -3.559 -12.401 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.717 -3.566 -10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.206 -5.248 -10.771 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.710 -5.258 -9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.112 -3.092 -8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.250 -5.155 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.650 -2.985 -6.143 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.717 -4.023 -5.298 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.496 -5.491 -18.933 1.00 0.00 MG