USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 421 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 43 THR OG1 : rot 129:sc= 0.28 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 GLN : amide:sc= 0 X(o=-0.012,f=-0.012) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.53) USER MOD Single : A 3 GLN : amide:sc= -0.998 K(o=-1,f=-3.7!) USER MOD Single : A 6 THR OG1 : rot 155:sc= -0.399 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -53:sc= -6.29! USER MOD Single : A 12 MET CE :methyl -156:sc= -0.0186 (180deg=-0.515) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 0.519 (180deg=-0.116) USER MOD Single : A 19 THR OG1 : rot 85:sc= 0.815 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.95) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.07 K(o=1.1,f=-0.45) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N GLN A 3 1.336 10.227 0.801 1.00 0.00 N ATOM 36 CA GLN A 3 0.608 9.248 1.601 1.00 0.00 C ATOM 37 C GLN A 3 0.860 7.832 1.088 1.00 0.00 C ATOM 38 O GLN A 3 -0.048 7.002 1.053 1.00 0.00 O ATOM 39 CB GLN A 3 -0.891 9.556 1.579 1.00 0.00 C ATOM 40 CG GLN A 3 -1.519 9.619 2.962 1.00 0.00 C ATOM 41 CD GLN A 3 -2.659 10.616 3.040 1.00 0.00 C ATOM 42 OE1 GLN A 3 -3.127 11.122 2.021 1.00 0.00 O ATOM 43 NE2 GLN A 3 -3.113 10.903 4.255 1.00 0.00 N ATOM 0 HA GLN A 3 0.968 9.311 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.051 10.508 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.402 8.793 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.887 8.630 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.755 9.888 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.695 10.460 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.879 11.566 4.370 1.00 0.00 H new ATOM 52 N ARG A 4 2.100 7.567 0.690 1.00 0.00 N ATOM 53 CA ARG A 4 2.479 6.255 0.178 1.00 0.00 C ATOM 54 C ARG A 4 2.970 5.352 1.299 1.00 0.00 C ATOM 55 O ARG A 4 4.090 5.500 1.788 1.00 0.00 O ATOM 56 CB ARG A 4 3.560 6.396 -0.894 1.00 0.00 C ATOM 57 CG ARG A 4 3.205 7.394 -1.985 1.00 0.00 C ATOM 58 CD ARG A 4 4.423 8.187 -2.430 1.00 0.00 C ATOM 59 NE ARG A 4 4.346 8.560 -3.841 1.00 0.00 N ATOM 60 CZ ARG A 4 3.601 9.560 -4.303 1.00 0.00 C ATOM 61 NH1 ARG A 4 2.868 10.290 -3.473 1.00 0.00 N ATOM 62 NH2 ARG A 4 3.589 9.832 -5.601 1.00 0.00 N ATOM 0 H ARG A 4 2.861 8.245 0.712 1.00 0.00 H new ATOM 0 HA ARG A 4 1.595 5.798 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.492 6.704 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.740 5.422 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.781 6.866 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.438 8.077 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.512 9.087 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.323 7.596 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 4 4.896 8.022 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.873 10.086 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.299 11.056 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.151 9.274 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.018 10.599 -5.956 1.00 0.00 H new ATOM 76 N ILE A 5 2.121 4.415 1.692 1.00 0.00 N ATOM 77 CA ILE A 5 2.456 3.472 2.748 1.00 0.00 C ATOM 78 C ILE A 5 2.862 2.133 2.153 1.00 0.00 C ATOM 79 O ILE A 5 2.963 1.992 0.936 1.00 0.00 O ATOM 80 CB ILE A 5 1.273 3.248 3.715 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.346 4.460 3.716 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.775 2.963 5.125 1.00 0.00 C ATOM 83 CD1 ILE A 5 -0.846 4.312 4.637 1.00 0.00 C ATOM 0 H ILE A 5 1.191 4.287 1.293 1.00 0.00 H new ATOM 0 HA ILE A 5 3.287 3.902 3.307 1.00 0.00 H new ATOM 0 HB ILE A 5 0.710 2.381 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.915 5.342 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.010 4.635 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.925 2.808 5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.396 2.067 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.364 3.809 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.460 5.211 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.439 3.450 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.499 4.168 5.660 1.00 0.00 H new ATOM 95 N THR A 6 3.089 1.157 3.015 1.00 0.00 N ATOM 96 CA THR A 6 3.479 -0.177 2.575 1.00 0.00 C ATOM 97 C THR A 6 2.256 -1.060 2.361 1.00 0.00 C ATOM 98 O THR A 6 1.200 -0.830 2.951 1.00 0.00 O ATOM 99 CB THR A 6 4.420 -0.822 3.595 1.00 0.00 C ATOM 100 OG1 THR A 6 3.810 -0.879 4.873 1.00 0.00 O ATOM 101 CG2 THR A 6 5.734 -0.086 3.745 1.00 0.00 C ATOM 0 H THR A 6 3.010 1.261 4.027 1.00 0.00 H new ATOM 0 HA THR A 6 4.002 -0.078 1.624 1.00 0.00 H new ATOM 0 HB THR A 6 4.624 -1.821 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.202 -1.613 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.354 -0.595 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.252 -0.067 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.543 0.935 4.074 1.00 0.00 H new ATOM 109 N LEU A 7 2.402 -2.074 1.514 1.00 0.00 N ATOM 110 CA LEU A 7 1.306 -2.993 1.228 1.00 0.00 C ATOM 111 C LEU A 7 1.114 -3.981 2.373 1.00 0.00 C ATOM 112 O LEU A 7 -0.005 -4.409 2.657 1.00 0.00 O ATOM 113 CB LEU A 7 1.570 -3.749 -0.075 1.00 0.00 C ATOM 114 CG LEU A 7 0.503 -4.778 -0.452 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.775 -4.084 -0.898 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.019 -5.702 -1.546 1.00 0.00 C ATOM 0 H LEU A 7 3.267 -2.280 1.014 1.00 0.00 H new ATOM 0 HA LEU A 7 0.393 -2.407 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.659 -3.026 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.531 -4.257 0.005 1.00 0.00 H new ATOM 0 HG LEU A 7 0.277 -5.379 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.522 -4.832 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.154 -3.463 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.566 -3.458 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.248 -6.428 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.273 -5.115 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.907 -6.226 -1.191 1.00 0.00 H new ATOM 128 N LYS A 8 2.213 -4.341 3.030 1.00 0.00 N ATOM 129 CA LYS A 8 2.169 -5.278 4.143 1.00 0.00 C ATOM 130 C LYS A 8 1.456 -4.665 5.345 1.00 0.00 C ATOM 131 O LYS A 8 0.733 -5.352 6.067 1.00 0.00 O ATOM 132 CB LYS A 8 3.585 -5.702 4.538 1.00 0.00 C ATOM 133 CG LYS A 8 3.622 -6.740 5.647 1.00 0.00 C ATOM 134 CD LYS A 8 5.039 -7.216 5.920 1.00 0.00 C ATOM 135 CE LYS A 8 5.290 -7.396 7.409 1.00 0.00 C ATOM 136 NZ LYS A 8 5.736 -6.129 8.054 1.00 0.00 N ATOM 0 H LYS A 8 3.147 -3.995 2.808 1.00 0.00 H new ATOM 0 HA LYS A 8 1.610 -6.157 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.094 -6.102 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.143 -4.822 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.198 -6.316 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.999 -7.590 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.212 -8.160 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.750 -6.496 5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.378 -7.747 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.047 -8.166 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.896 -6.294 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.620 -5.807 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.003 -5.401 7.933 1.00 0.00 H new ATOM 150 N ASP A 9 1.669 -3.370 5.557 1.00 0.00 N ATOM 151 CA ASP A 9 1.050 -2.666 6.674 1.00 0.00 C ATOM 152 C ASP A 9 -0.440 -2.451 6.428 1.00 0.00 C ATOM 153 O ASP A 9 -1.262 -2.661 7.318 1.00 0.00 O ATOM 154 CB ASP A 9 1.735 -1.317 6.899 1.00 0.00 C ATOM 155 CG ASP A 9 3.092 -1.461 7.560 1.00 0.00 C ATOM 156 OD1 ASP A 9 3.954 -2.168 6.999 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.292 -0.864 8.639 1.00 0.00 O ATOM 0 H ASP A 9 2.266 -2.787 4.970 1.00 0.00 H new ATOM 0 HA ASP A 9 1.169 -3.283 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.852 -0.808 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.097 -0.687 7.519 1.00 0.00 H new ATOM 162 N TYR A 10 -0.779 -2.026 5.215 1.00 0.00 N ATOM 163 CA TYR A 10 -2.170 -1.777 4.854 1.00 0.00 C ATOM 164 C TYR A 10 -3.025 -3.024 5.059 1.00 0.00 C ATOM 165 O TYR A 10 -4.230 -2.928 5.296 1.00 0.00 O ATOM 166 CB TYR A 10 -2.268 -1.311 3.401 1.00 0.00 C ATOM 167 CG TYR A 10 -3.583 -0.642 3.069 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.757 -1.379 2.983 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.650 0.727 2.841 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.960 -0.771 2.680 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.851 1.343 2.538 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.002 0.588 2.458 1.00 0.00 C ATOM 173 OH TYR A 10 -7.199 1.196 2.156 1.00 0.00 O ATOM 0 H TYR A 10 -0.110 -1.847 4.466 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.549 -0.991 5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.454 -0.616 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.129 -2.169 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.729 -2.445 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.749 1.320 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.864 -1.359 2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.887 2.408 2.365 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.617 0.736 1.398 1.00 0.00 H new ATOM 183 N ALA A 11 -2.398 -4.192 4.965 1.00 0.00 N ATOM 184 CA ALA A 11 -3.107 -5.454 5.139 1.00 0.00 C ATOM 185 C ALA A 11 -3.161 -5.856 6.609 1.00 0.00 C ATOM 186 O ALA A 11 -4.229 -6.150 7.144 1.00 0.00 O ATOM 187 CB ALA A 11 -2.447 -6.546 4.315 1.00 0.00 C ATOM 0 H ALA A 11 -1.402 -4.291 4.770 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.131 -5.319 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.986 -7.483 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.467 -6.269 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.413 -6.671 4.638 1.00 0.00 H new ATOM 193 N MET A 12 -2.002 -5.871 7.258 1.00 0.00 N ATOM 194 CA MET A 12 -1.919 -6.242 8.665 1.00 0.00 C ATOM 195 C MET A 12 -2.576 -5.191 9.556 1.00 0.00 C ATOM 196 O MET A 12 -2.982 -5.484 10.681 1.00 0.00 O ATOM 197 CB MET A 12 -0.457 -6.435 9.074 1.00 0.00 C ATOM 198 CG MET A 12 -0.108 -7.873 9.424 1.00 0.00 C ATOM 199 SD MET A 12 0.890 -8.004 10.920 1.00 0.00 S ATOM 200 CE MET A 12 2.234 -6.888 10.531 1.00 0.00 C ATOM 0 H MET A 12 -1.107 -5.630 6.832 1.00 0.00 H new ATOM 0 HA MET A 12 -2.457 -7.181 8.797 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.186 -6.102 8.260 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.241 -5.798 9.932 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.027 -8.444 9.555 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.432 -8.324 8.592 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.114 -7.160 11.114 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.468 -6.956 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.940 -5.867 10.773 1.00 0.00 H new ATOM 210 N ARG A 13 -2.668 -3.969 9.050 1.00 0.00 N ATOM 211 CA ARG A 13 -3.267 -2.872 9.803 1.00 0.00 C ATOM 212 C ARG A 13 -4.772 -2.793 9.571 1.00 0.00 C ATOM 213 O ARG A 13 -5.566 -3.026 10.482 1.00 0.00 O ATOM 214 CB ARG A 13 -2.611 -1.545 9.416 1.00 0.00 C ATOM 215 CG ARG A 13 -2.874 -0.425 10.409 1.00 0.00 C ATOM 216 CD ARG A 13 -1.736 0.584 10.422 1.00 0.00 C ATOM 217 NE ARG A 13 -1.670 1.353 9.180 1.00 0.00 N ATOM 218 CZ ARG A 13 -0.772 2.305 8.946 1.00 0.00 C ATOM 219 NH1 ARG A 13 0.138 2.610 9.863 1.00 0.00 N ATOM 220 NH2 ARG A 13 -0.780 2.954 7.789 1.00 0.00 N ATOM 0 H ARG A 13 -2.336 -3.711 8.121 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.097 -3.064 10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.535 -1.694 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.975 -1.242 8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.806 0.079 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.002 -0.844 11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.865 1.265 11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.791 0.063 10.576 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.353 1.147 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.151 2.113 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.824 3.341 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.475 2.723 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.091 3.684 7.609 1.00 0.00 H new ATOM 234 N PHE A 14 -5.156 -2.446 8.348 1.00 0.00 N ATOM 235 CA PHE A 14 -6.553 -2.312 7.988 1.00 0.00 C ATOM 236 C PHE A 14 -7.195 -3.666 7.695 1.00 0.00 C ATOM 237 O PHE A 14 -8.325 -3.927 8.108 1.00 0.00 O ATOM 238 CB PHE A 14 -6.651 -1.401 6.776 1.00 0.00 C ATOM 239 CG PHE A 14 -6.139 -0.020 7.053 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.971 0.946 7.583 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.821 0.311 6.796 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.502 2.208 7.849 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.348 1.570 7.058 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.191 2.516 7.585 1.00 0.00 C ATOM 0 H PHE A 14 -4.507 -2.252 7.585 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.097 -1.881 8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.086 -1.836 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.690 -1.342 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.003 0.706 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.156 -0.433 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.162 2.955 8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.317 1.817 6.851 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.820 3.509 7.793 1.00 0.00 H new ATOM 254 N GLY A 15 -6.472 -4.522 6.982 1.00 0.00 N ATOM 255 CA GLY A 15 -6.997 -5.834 6.649 1.00 0.00 C ATOM 256 C GLY A 15 -7.040 -6.081 5.154 1.00 0.00 C ATOM 257 O GLY A 15 -7.253 -5.154 4.373 1.00 0.00 O ATOM 0 H GLY A 15 -5.534 -4.332 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.381 -6.599 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.002 -5.934 7.059 1.00 0.00 H new ATOM 261 N GLN A 16 -6.838 -7.334 4.757 1.00 0.00 N ATOM 262 CA GLN A 16 -6.855 -7.702 3.345 1.00 0.00 C ATOM 263 C GLN A 16 -8.177 -7.313 2.691 1.00 0.00 C ATOM 264 O GLN A 16 -8.234 -7.048 1.491 1.00 0.00 O ATOM 265 CB GLN A 16 -6.620 -9.205 3.188 1.00 0.00 C ATOM 266 CG GLN A 16 -5.253 -9.663 3.670 1.00 0.00 C ATOM 267 CD GLN A 16 -5.337 -10.677 4.793 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.488 -11.874 4.553 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.242 -10.200 6.030 1.00 0.00 N ATOM 0 H GLN A 16 -6.661 -8.111 5.393 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.053 -7.158 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.390 -9.744 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.734 -9.474 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.705 -10.098 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.684 -8.798 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.117 -9.199 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.294 -10.835 6.827 1.00 0.00 H new ATOM 278 N THR A 17 -9.241 -7.284 3.488 1.00 0.00 N ATOM 279 CA THR A 17 -10.560 -6.931 2.986 1.00 0.00 C ATOM 280 C THR A 17 -10.560 -5.538 2.364 1.00 0.00 C ATOM 281 O THR A 17 -10.820 -5.379 1.172 1.00 0.00 O ATOM 282 CB THR A 17 -11.590 -6.992 4.115 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.600 -8.276 4.718 1.00 0.00 O ATOM 284 CG2 THR A 17 -13.000 -6.693 3.656 1.00 0.00 C ATOM 0 H THR A 17 -9.213 -7.501 4.484 1.00 0.00 H new ATOM 0 HA THR A 17 -10.827 -7.652 2.213 1.00 0.00 H new ATOM 0 HB THR A 17 -11.284 -6.223 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.264 -8.294 5.439 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.680 -6.753 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.039 -5.690 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.298 -7.420 2.900 1.00 0.00 H new ATOM 292 N LYS A 18 -10.250 -4.531 3.175 1.00 0.00 N ATOM 293 CA LYS A 18 -10.210 -3.153 2.704 1.00 0.00 C ATOM 294 C LYS A 18 -9.157 -2.972 1.623 1.00 0.00 C ATOM 295 O LYS A 18 -9.318 -2.163 0.710 1.00 0.00 O ATOM 296 CB LYS A 18 -9.945 -2.199 3.869 1.00 0.00 C ATOM 297 CG LYS A 18 -10.740 -0.907 3.799 1.00 0.00 C ATOM 298 CD LYS A 18 -10.300 0.076 4.875 1.00 0.00 C ATOM 299 CE LYS A 18 -9.498 1.221 4.292 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.310 2.457 4.136 1.00 0.00 N ATOM 0 H LYS A 18 -10.023 -4.645 4.163 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.182 -2.918 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.180 -2.708 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.882 -1.959 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.614 -0.453 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.802 -1.125 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.177 0.470 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.701 -0.445 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.644 1.429 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.100 0.926 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.743 3.283 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.601 2.558 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.155 2.396 4.740 1.00 0.00 H new ATOM 314 N THR A 19 -8.072 -3.731 1.733 1.00 0.00 N ATOM 315 CA THR A 19 -6.985 -3.655 0.764 1.00 0.00 C ATOM 316 C THR A 19 -7.441 -4.137 -0.608 1.00 0.00 C ATOM 317 O THR A 19 -6.984 -3.639 -1.637 1.00 0.00 O ATOM 318 CB THR A 19 -5.792 -4.487 1.236 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.646 -4.403 2.642 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.481 -4.061 0.612 1.00 0.00 C ATOM 0 H THR A 19 -7.922 -4.406 2.483 1.00 0.00 H new ATOM 0 HA THR A 19 -6.682 -2.611 0.681 1.00 0.00 H new ATOM 0 HB THR A 19 -6.010 -5.508 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.232 -5.061 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.676 -4.692 0.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.544 -4.163 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.277 -3.021 0.868 1.00 0.00 H new ATOM 328 N ALA A 20 -8.343 -5.111 -0.617 1.00 0.00 N ATOM 329 CA ALA A 20 -8.860 -5.663 -1.865 1.00 0.00 C ATOM 330 C ALA A 20 -10.100 -4.910 -2.338 1.00 0.00 C ATOM 331 O ALA A 20 -10.490 -5.017 -3.499 1.00 0.00 O ATOM 332 CB ALA A 20 -9.171 -7.142 -1.694 1.00 0.00 C ATOM 0 H ALA A 20 -8.732 -5.535 0.225 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.091 -5.546 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.556 -7.544 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.262 -7.675 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.918 -7.268 -0.911 1.00 0.00 H new ATOM 338 N LYS A 21 -10.720 -4.155 -1.432 1.00 0.00 N ATOM 339 CA LYS A 21 -11.920 -3.396 -1.765 1.00 0.00 C ATOM 340 C LYS A 21 -11.570 -1.996 -2.265 1.00 0.00 C ATOM 341 O LYS A 21 -11.970 -1.605 -3.364 1.00 0.00 O ATOM 342 CB LYS A 21 -12.840 -3.304 -0.545 1.00 0.00 C ATOM 343 CG LYS A 21 -14.270 -3.738 -0.827 1.00 0.00 C ATOM 344 CD LYS A 21 -14.840 -4.543 0.327 1.00 0.00 C ATOM 345 CE LYS A 21 -14.750 -6.040 0.068 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.090 -6.680 0.019 1.00 0.00 N ATOM 0 H LYS A 21 -10.411 -4.054 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.439 -3.921 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.432 -3.923 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.846 -2.276 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.891 -2.860 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.298 -4.335 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.301 -4.299 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.881 -4.263 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.231 -6.214 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.154 -6.508 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.982 -7.699 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.576 -6.537 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.651 -6.252 -0.745 1.00 0.00 H new ATOM 360 N ASP A 22 -10.840 -1.243 -1.450 1.00 0.00 N ATOM 361 CA ASP A 22 -10.450 0.114 -1.808 1.00 0.00 C ATOM 362 C ASP A 22 -9.653 0.133 -3.109 1.00 0.00 C ATOM 363 O ASP A 22 -9.821 1.027 -3.937 1.00 0.00 O ATOM 364 CB ASP A 22 -9.628 0.734 -0.677 1.00 0.00 C ATOM 365 CG ASP A 22 -10.450 1.662 0.193 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.240 2.454 -0.364 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.310 1.597 1.432 1.00 0.00 O ATOM 0 H ASP A 22 -10.507 -1.550 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.356 0.701 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.207 -0.060 -0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.790 1.286 -1.101 1.00 0.00 H new ATOM 372 N LEU A 23 -8.785 -0.858 -3.283 1.00 0.00 N ATOM 373 CA LEU A 23 -7.962 -0.951 -4.484 1.00 0.00 C ATOM 374 C LEU A 23 -8.754 -1.546 -5.645 1.00 0.00 C ATOM 375 O LEU A 23 -8.618 -1.111 -6.789 1.00 0.00 O ATOM 376 CB LEU A 23 -6.719 -1.799 -4.211 1.00 0.00 C ATOM 377 CG LEU A 23 -5.580 -1.063 -3.504 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.637 -1.301 -2.004 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.237 -1.500 -4.065 1.00 0.00 C ATOM 0 H LEU A 23 -8.633 -1.608 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.653 0.057 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.009 -2.658 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.347 -2.189 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.697 0.006 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.818 -0.769 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.587 -0.937 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.546 -2.368 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.437 -0.967 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.112 -2.573 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.197 -1.274 -5.131 1.00 0.00 H new ATOM 391 N GLY A 24 -9.580 -2.542 -5.342 1.00 0.00 N ATOM 392 CA GLY A 24 -10.380 -3.179 -6.372 1.00 0.00 C ATOM 393 C GLY A 24 -9.785 -4.496 -6.836 1.00 0.00 C ATOM 394 O GLY A 24 -9.730 -4.770 -8.035 1.00 0.00 O ATOM 0 H GLY A 24 -9.710 -2.919 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.386 -3.352 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.473 -2.506 -7.224 1.00 0.00 H new ATOM 398 N VAL A 25 -9.340 -5.309 -5.884 1.00 0.00 N ATOM 399 CA VAL A 25 -8.747 -6.603 -6.201 1.00 0.00 C ATOM 400 C VAL A 25 -9.234 -7.679 -5.238 1.00 0.00 C ATOM 401 O VAL A 25 -10.040 -7.410 -4.348 1.00 0.00 O ATOM 402 CB VAL A 25 -7.209 -6.543 -6.151 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.665 -5.758 -7.334 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.741 -5.934 -4.837 1.00 0.00 C ATOM 0 H VAL A 25 -9.379 -5.095 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.060 -6.856 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.822 -7.560 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.577 -5.727 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.969 -6.242 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.059 -4.742 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.652 -5.900 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.137 -4.923 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.098 -6.543 -4.006 1.00 0.00 H new ATOM 414 N GLN A 26 -8.739 -8.899 -5.419 1.00 0.00 N ATOM 415 CA GLN A 26 -9.122 -10.015 -4.565 1.00 0.00 C ATOM 416 C GLN A 26 -8.042 -10.299 -3.532 1.00 0.00 C ATOM 417 O GLN A 26 -6.865 -10.009 -3.751 1.00 0.00 O ATOM 418 CB GLN A 26 -9.376 -11.266 -5.407 1.00 0.00 C ATOM 419 CG GLN A 26 -10.540 -11.129 -6.366 1.00 0.00 C ATOM 420 CD GLN A 26 -11.440 -12.346 -6.366 1.00 0.00 C ATOM 421 OE1 GLN A 26 -11.480 -13.109 -7.333 1.00 0.00 O ATOM 422 NE2 GLN A 26 -12.180 -12.538 -5.276 1.00 0.00 N ATOM 0 H GLN A 26 -8.071 -9.139 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.040 -9.744 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.475 -11.500 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.562 -12.109 -4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.125 -10.249 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.158 -10.964 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.119 -11.884 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.808 -13.340 -5.221 1.00 0.00 H new ATOM 431 N GLN A 27 -8.449 -10.869 -2.407 1.00 0.00 N ATOM 432 CA GLN A 27 -7.517 -11.198 -1.336 1.00 0.00 C ATOM 433 C GLN A 27 -6.469 -12.202 -1.810 1.00 0.00 C ATOM 434 O GLN A 27 -5.411 -12.345 -1.197 1.00 0.00 O ATOM 435 CB GLN A 27 -8.271 -11.763 -0.130 1.00 0.00 C ATOM 436 CG GLN A 27 -9.146 -10.738 0.573 1.00 0.00 C ATOM 437 CD GLN A 27 -10.490 -11.299 0.969 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.520 -10.942 0.392 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.500 -12.182 1.959 1.00 0.00 N ATOM 0 H GLN A 27 -9.420 -11.114 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.007 -10.281 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.893 -12.596 -0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.551 -12.164 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.631 -10.375 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.293 -9.880 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.626 -12.451 2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.382 -12.592 2.268 1.00 0.00 H new ATOM 448 N SER A 28 -6.769 -12.895 -2.905 1.00 0.00 N ATOM 449 CA SER A 28 -5.852 -13.884 -3.459 1.00 0.00 C ATOM 450 C SER A 28 -4.564 -13.224 -3.939 1.00 0.00 C ATOM 451 O SER A 28 -3.468 -13.737 -3.709 1.00 0.00 O ATOM 452 CB SER A 28 -6.517 -14.634 -4.614 1.00 0.00 C ATOM 453 OG SER A 28 -6.746 -13.772 -5.716 1.00 0.00 O ATOM 0 H SER A 28 -7.640 -12.789 -3.425 1.00 0.00 H new ATOM 0 HA SER A 28 -5.602 -14.593 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.884 -15.466 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.463 -15.060 -4.279 1.00 0.00 H new ATOM 0 HG SER A 28 -7.170 -14.275 -6.442 1.00 0.00 H new ATOM 459 N ALA A 29 -4.701 -12.083 -4.608 1.00 0.00 N ATOM 460 CA ALA A 29 -3.548 -11.354 -5.121 1.00 0.00 C ATOM 461 C ALA A 29 -2.800 -10.646 -3.998 1.00 0.00 C ATOM 462 O ALA A 29 -1.572 -10.557 -4.017 1.00 0.00 O ATOM 463 CB ALA A 29 -3.987 -10.352 -6.179 1.00 0.00 C ATOM 0 H ALA A 29 -5.600 -11.644 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.868 -12.074 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.116 -9.814 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.470 -10.880 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.690 -9.644 -5.740 1.00 0.00 H new ATOM 469 N ILE A 30 -3.545 -10.145 -3.019 1.00 0.00 N ATOM 470 CA ILE A 30 -2.946 -9.446 -1.887 1.00 0.00 C ATOM 471 C ILE A 30 -1.995 -10.361 -1.126 1.00 0.00 C ATOM 472 O ILE A 30 -0.849 -10.000 -0.862 1.00 0.00 O ATOM 473 CB ILE A 30 -4.021 -8.915 -0.917 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.088 -8.125 -1.676 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.382 -8.050 0.160 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.529 -6.984 -2.498 1.00 0.00 C ATOM 0 H ILE A 30 -4.562 -10.209 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.390 -8.600 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.503 -9.767 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.631 -8.804 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.810 -7.728 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.153 -7.683 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.659 -8.642 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.875 -7.205 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.344 -6.470 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.011 -6.283 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.829 -7.376 -3.236 1.00 0.00 H new ATOM 488 N ASN A 31 -2.479 -11.547 -0.775 1.00 0.00 N ATOM 489 CA ASN A 31 -1.670 -12.516 -0.045 1.00 0.00 C ATOM 490 C ASN A 31 -0.445 -12.920 -0.857 1.00 0.00 C ATOM 491 O ASN A 31 0.614 -13.205 -0.298 1.00 0.00 O ATOM 492 CB ASN A 31 -2.503 -13.754 0.294 1.00 0.00 C ATOM 493 CG ASN A 31 -3.185 -13.641 1.644 1.00 0.00 C ATOM 494 OD1 ASN A 31 -3.396 -12.541 2.155 1.00 0.00 O ATOM 495 ND2 ASN A 31 -3.531 -14.781 2.229 1.00 0.00 N ATOM 0 H ASN A 31 -3.427 -11.861 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.333 -12.049 0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.257 -13.904 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.860 -14.634 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.992 -14.768 3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.336 -15.670 1.769 1.00 0.00 H new ATOM 502 N LYS A 32 -0.596 -12.943 -2.177 1.00 0.00 N ATOM 503 CA LYS A 32 0.497 -13.313 -3.066 1.00 0.00 C ATOM 504 C LYS A 32 1.544 -12.211 -3.137 1.00 0.00 C ATOM 505 O LYS A 32 2.726 -12.474 -3.356 1.00 0.00 O ATOM 506 CB LYS A 32 -0.034 -13.613 -4.468 1.00 0.00 C ATOM 507 CG LYS A 32 -0.765 -14.941 -4.572 1.00 0.00 C ATOM 508 CD LYS A 32 0.206 -16.111 -4.600 1.00 0.00 C ATOM 509 CE LYS A 32 -0.526 -17.442 -4.655 1.00 0.00 C ATOM 510 NZ LYS A 32 0.406 -18.579 -4.883 1.00 0.00 N ATOM 0 H LYS A 32 -1.466 -12.709 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 32 0.967 -14.209 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.709 -12.812 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.799 -13.611 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.444 -15.051 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.375 -14.952 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.862 -16.020 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.840 -16.080 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.067 -17.598 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.268 -17.415 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.132 -19.468 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.904 -18.444 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.099 -18.621 -4.109 1.00 0.00 H new ATOM 524 N TRP A 33 1.099 -10.978 -2.956 1.00 0.00 N ATOM 525 CA TRP A 33 1.979 -9.829 -3.004 1.00 0.00 C ATOM 526 C TRP A 33 2.938 -9.819 -1.817 1.00 0.00 C ATOM 527 O TRP A 33 4.147 -9.658 -1.983 1.00 0.00 O ATOM 528 CB TRP A 33 1.124 -8.573 -3.011 1.00 0.00 C ATOM 529 CG TRP A 33 0.402 -8.370 -4.293 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.628 -9.031 -5.447 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.672 -7.469 -4.544 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.225 -8.586 -6.427 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.038 -7.622 -5.893 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.353 -6.543 -3.761 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.059 -6.880 -6.476 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.371 -5.804 -4.335 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.715 -5.976 -5.683 1.00 0.00 C ATOM 0 H TRP A 33 0.122 -10.749 -2.773 1.00 0.00 H new ATOM 0 HA TRP A 33 2.587 -9.874 -3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.400 -8.628 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.758 -7.708 -2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.374 -9.801 -5.581 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.249 -8.918 -7.391 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.091 -6.404 -2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.325 -7.011 -7.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.909 -5.084 -3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.513 -5.384 -6.105 1.00 0.00 H new ATOM 548 N ILE A 34 2.390 -9.997 -0.620 1.00 0.00 N ATOM 549 CA ILE A 34 3.194 -10.012 0.595 1.00 0.00 C ATOM 550 C ILE A 34 3.909 -11.350 0.761 1.00 0.00 C ATOM 551 O ILE A 34 4.953 -11.432 1.408 1.00 0.00 O ATOM 552 CB ILE A 34 2.332 -9.745 1.844 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.452 -8.509 1.633 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.215 -9.569 3.073 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.019 -8.707 2.078 1.00 0.00 C ATOM 0 H ILE A 34 1.391 -10.133 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 34 3.932 -9.216 0.497 1.00 0.00 H new ATOM 0 HB ILE A 34 1.683 -10.606 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.881 -7.669 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.463 -8.241 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.590 -9.381 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.800 -10.475 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.888 -8.725 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.547 -7.793 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.427 -9.526 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.002 -8.945 3.141 1.00 0.00 H new ATOM 567 N HIS A 35 3.341 -12.399 0.172 1.00 0.00 N ATOM 568 CA HIS A 35 3.923 -13.732 0.253 1.00 0.00 C ATOM 569 C HIS A 35 5.324 -13.753 -0.340 1.00 0.00 C ATOM 570 O HIS A 35 6.176 -14.542 0.071 1.00 0.00 O ATOM 571 CB HIS A 35 3.031 -14.737 -0.476 1.00 0.00 C ATOM 572 CG HIS A 35 2.144 -15.530 0.434 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.932 -15.202 1.757 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.411 -16.644 0.203 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.109 -16.079 2.300 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.778 -16.965 1.378 1.00 0.00 N ATOM 0 H HIS A 35 2.477 -12.349 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 35 3.994 -14.010 1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.412 -14.203 -1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.660 -15.423 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.338 -17.180 -0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.765 -16.073 3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.153 -17.759 1.517 1.00 0.00 H new ATOM 585 N ALA A 36 5.553 -12.881 -1.310 1.00 0.00 N ATOM 586 CA ALA A 36 6.850 -12.791 -1.972 1.00 0.00 C ATOM 587 C ALA A 36 7.564 -11.484 -1.634 1.00 0.00 C ATOM 588 O ALA A 36 8.610 -11.175 -2.202 1.00 0.00 O ATOM 589 CB ALA A 36 6.677 -12.925 -3.476 1.00 0.00 C ATOM 0 H ALA A 36 4.856 -12.223 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 36 7.471 -13.610 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.650 -12.857 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.224 -13.889 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.032 -12.125 -3.841 1.00 0.00 H new ATOM 595 N GLY A 37 6.996 -10.717 -0.705 1.00 0.00 N ATOM 596 CA GLY A 37 7.600 -9.457 -0.315 1.00 0.00 C ATOM 597 C GLY A 37 7.599 -8.440 -1.439 1.00 0.00 C ATOM 598 O GLY A 37 8.638 -7.862 -1.762 1.00 0.00 O ATOM 0 H GLY A 37 6.130 -10.947 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.061 -9.049 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.625 -9.634 0.009 1.00 0.00 H new ATOM 602 N ARG A 38 6.433 -8.219 -2.034 1.00 0.00 N ATOM 603 CA ARG A 38 6.302 -7.263 -3.127 1.00 0.00 C ATOM 604 C ARG A 38 6.436 -5.832 -2.615 1.00 0.00 C ATOM 605 O ARG A 38 5.568 -5.336 -1.897 1.00 0.00 O ATOM 606 CB ARG A 38 4.956 -7.441 -3.832 1.00 0.00 C ATOM 607 CG ARG A 38 4.971 -8.508 -4.913 1.00 0.00 C ATOM 608 CD ARG A 38 3.741 -8.419 -5.802 1.00 0.00 C ATOM 609 NE ARG A 38 3.988 -7.617 -6.998 1.00 0.00 N ATOM 610 CZ ARG A 38 4.619 -8.072 -8.078 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.071 -9.320 -8.115 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.798 -7.277 -9.125 1.00 0.00 N ATOM 0 H ARG A 38 5.565 -8.689 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 38 7.104 -7.452 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.199 -7.697 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.659 -6.491 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.869 -8.399 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.017 -9.494 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.432 -9.422 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.916 -7.984 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 38 3.658 -6.652 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.935 -9.936 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.554 -9.663 -8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.452 -6.318 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.282 -7.625 -9.953 1.00 0.00 H new ATOM 626 N LYS A 39 7.528 -5.174 -2.990 1.00 0.00 N ATOM 627 CA LYS A 39 7.772 -3.799 -2.567 1.00 0.00 C ATOM 628 C LYS A 39 6.774 -2.843 -3.212 1.00 0.00 C ATOM 629 O LYS A 39 7.105 -2.125 -4.155 1.00 0.00 O ATOM 630 CB LYS A 39 9.201 -3.381 -2.921 1.00 0.00 C ATOM 631 CG LYS A 39 10.196 -3.603 -1.793 1.00 0.00 C ATOM 632 CD LYS A 39 11.606 -3.800 -2.327 1.00 0.00 C ATOM 633 CE LYS A 39 12.411 -2.512 -2.261 1.00 0.00 C ATOM 634 NZ LYS A 39 13.831 -2.762 -1.887 1.00 0.00 N ATOM 0 H LYS A 39 8.257 -5.569 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 39 7.644 -3.750 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.528 -3.940 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.205 -2.326 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.178 -2.749 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.900 -4.476 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.110 -4.575 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.560 -4.149 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.373 -2.011 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.958 -1.838 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.345 -1.859 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.869 -3.217 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.272 -3.385 -2.594 1.00 0.00 H new ATOM 648 N ILE A 40 5.549 -2.840 -2.695 1.00 0.00 N ATOM 649 CA ILE A 40 4.499 -1.973 -3.217 1.00 0.00 C ATOM 650 C ILE A 40 4.117 -0.906 -2.197 1.00 0.00 C ATOM 651 O ILE A 40 4.359 -1.062 -1.001 1.00 0.00 O ATOM 652 CB ILE A 40 3.240 -2.779 -3.596 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.597 -3.892 -4.583 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.177 -1.862 -4.186 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.402 -4.699 -5.040 1.00 0.00 C ATOM 0 H ILE A 40 5.259 -3.429 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 40 4.897 -1.495 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 40 2.836 -3.235 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.083 -3.452 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.321 -4.561 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.296 -2.448 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.904 -1.103 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.570 -1.378 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.729 -5.470 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.928 -5.168 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.687 -4.042 -5.534 1.00 0.00 H new ATOM 667 N PHE A 41 3.514 0.176 -2.679 1.00 0.00 N ATOM 668 CA PHE A 41 3.093 1.264 -1.805 1.00 0.00 C ATOM 669 C PHE A 41 1.765 1.851 -2.267 1.00 0.00 C ATOM 670 O PHE A 41 1.633 2.287 -3.411 1.00 0.00 O ATOM 671 CB PHE A 41 4.158 2.363 -1.763 1.00 0.00 C ATOM 672 CG PHE A 41 5.446 1.929 -1.125 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.365 1.174 -1.837 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.739 2.277 0.185 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.553 0.775 -1.252 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.923 1.879 0.772 1.00 0.00 C ATOM 677 CZ PHE A 41 7.832 1.127 0.053 1.00 0.00 C ATOM 0 H PHE A 41 3.307 0.322 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 41 2.964 0.856 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.361 2.699 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.763 3.220 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.151 0.895 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.033 2.866 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.262 0.188 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.139 2.155 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.759 0.815 0.511 1.00 0.00 H new ATOM 687 N LEU A 42 0.783 1.862 -1.373 1.00 0.00 N ATOM 688 CA LEU A 42 -0.531 2.399 -1.691 1.00 0.00 C ATOM 689 C LEU A 42 -0.656 3.846 -1.233 1.00 0.00 C ATOM 690 O LEU A 42 0.004 4.266 -0.282 1.00 0.00 O ATOM 691 CB LEU A 42 -1.627 1.550 -1.045 1.00 0.00 C ATOM 692 CG LEU A 42 -1.315 1.017 0.357 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.372 -0.176 0.291 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.748 2.116 1.247 1.00 0.00 C ATOM 0 H LEU A 42 0.874 1.504 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.651 2.369 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.539 2.145 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.837 0.702 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.251 0.678 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.167 -0.534 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.834 -0.974 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.562 0.124 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.536 1.710 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.172 2.501 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.474 2.924 1.335 1.00 0.00 H new ATOM 706 N THR A 43 -1.509 4.604 -1.914 1.00 0.00 N ATOM 707 CA THR A 43 -1.723 6.005 -1.577 1.00 0.00 C ATOM 708 C THR A 43 -3.159 6.238 -1.120 1.00 0.00 C ATOM 709 O THR A 43 -4.104 6.041 -1.886 1.00 0.00 O ATOM 710 CB THR A 43 -1.406 6.897 -2.778 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.184 6.509 -3.381 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.298 8.364 -2.422 1.00 0.00 C ATOM 0 H THR A 43 -2.063 4.271 -2.703 1.00 0.00 H new ATOM 0 HA THR A 43 -1.052 6.263 -0.758 1.00 0.00 H new ATOM 0 HB THR A 43 -2.243 6.768 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.317 6.392 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.072 8.940 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.243 8.706 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.502 8.503 -1.691 1.00 0.00 H new ATOM 720 N ILE A 44 -3.315 6.660 0.131 1.00 0.00 N ATOM 721 CA ILE A 44 -4.636 6.920 0.690 1.00 0.00 C ATOM 722 C ILE A 44 -5.063 8.361 0.434 1.00 0.00 C ATOM 723 O ILE A 44 -4.478 9.298 0.977 1.00 0.00 O ATOM 724 CB ILE A 44 -4.671 6.647 2.206 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.096 5.263 2.512 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.094 6.764 2.734 1.00 0.00 C ATOM 727 CD1 ILE A 44 -3.854 5.022 3.985 1.00 0.00 C ATOM 0 H ILE A 44 -2.543 6.829 0.776 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.330 6.242 0.193 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.056 7.394 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.780 4.503 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.156 5.141 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.101 6.568 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.470 7.770 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.731 6.038 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.446 4.021 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.146 5.760 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.795 5.111 4.528 1.00 0.00 H new ATOM 739 N ASN A 45 -6.088 8.529 -0.396 1.00 0.00 N ATOM 740 CA ASN A 45 -6.591 9.858 -0.722 1.00 0.00 C ATOM 741 C ASN A 45 -7.497 10.385 0.388 1.00 0.00 C ATOM 742 O ASN A 45 -7.814 9.667 1.336 1.00 0.00 O ATOM 743 CB ASN A 45 -7.357 9.825 -2.047 1.00 0.00 C ATOM 744 CG ASN A 45 -6.473 9.431 -3.215 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.679 10.235 -3.706 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.604 8.189 -3.665 1.00 0.00 N ATOM 0 H ASN A 45 -6.585 7.764 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.737 10.528 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.185 9.121 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.791 10.807 -2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.034 7.867 -4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.274 7.556 -3.228 1.00 0.00 H new ATOM 753 N ALA A 46 -7.909 11.642 0.263 1.00 0.00 N ATOM 754 CA ALA A 46 -8.779 12.264 1.256 1.00 0.00 C ATOM 755 C ALA A 46 -10.250 11.954 0.987 1.00 0.00 C ATOM 756 O ALA A 46 -11.130 12.469 1.670 1.00 0.00 O ATOM 757 CB ALA A 46 -8.552 13.768 1.285 1.00 0.00 C ATOM 0 H ALA A 46 -7.655 12.250 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.526 11.846 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.207 14.221 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.513 13.974 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.773 14.188 0.304 1.00 0.00 H new ATOM 763 N ASP A 47 -10.500 11.110 -0.009 1.00 0.00 N ATOM 764 CA ASP A 47 -11.870 10.732 -0.361 1.00 0.00 C ATOM 765 C ASP A 47 -12.170 9.310 0.096 1.00 0.00 C ATOM 766 O ASP A 47 -13.340 8.921 0.212 1.00 0.00 O ATOM 767 CB ASP A 47 -12.090 10.849 -1.874 1.00 0.00 C ATOM 768 CG ASP A 47 -10.800 10.839 -2.673 1.00 0.00 C ATOM 769 OD1 ASP A 47 -9.989 11.773 -2.501 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.600 9.898 -3.470 1.00 0.00 O ATOM 0 H ASP A 47 -9.779 10.676 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.549 11.415 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.721 10.025 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.632 11.771 -2.085 1.00 0.00 H new ATOM 775 N GLY A 48 -11.130 8.535 0.351 1.00 0.00 N ATOM 776 CA GLY A 48 -11.300 7.163 0.786 1.00 0.00 C ATOM 777 C GLY A 48 -10.870 6.163 -0.270 1.00 0.00 C ATOM 778 O GLY A 48 -11.190 4.975 -0.172 1.00 0.00 O ATOM 0 H GLY A 48 -10.159 8.834 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.721 6.999 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.346 6.992 1.039 1.00 0.00 H new ATOM 782 N SER A 49 -10.160 6.641 -1.285 1.00 0.00 N ATOM 783 CA SER A 49 -9.692 5.779 -2.362 1.00 0.00 C ATOM 784 C SER A 49 -8.214 5.449 -2.189 1.00 0.00 C ATOM 785 O SER A 49 -7.383 6.342 -2.025 1.00 0.00 O ATOM 786 CB SER A 49 -9.928 6.448 -3.715 1.00 0.00 C ATOM 787 OG SER A 49 -10.810 5.684 -4.515 1.00 0.00 O ATOM 0 H SER A 49 -9.896 7.621 -1.384 1.00 0.00 H new ATOM 0 HA SER A 49 -10.258 4.848 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.341 7.445 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.977 6.572 -4.233 1.00 0.00 H new ATOM 0 HG SER A 49 -10.946 6.135 -5.375 1.00 0.00 H new ATOM 793 N VAL A 50 -7.893 4.161 -2.227 1.00 0.00 N ATOM 794 CA VAL A 50 -6.514 3.712 -2.074 1.00 0.00 C ATOM 795 C VAL A 50 -6.050 2.951 -3.313 1.00 0.00 C ATOM 796 O VAL A 50 -6.688 1.988 -3.735 1.00 0.00 O ATOM 797 CB VAL A 50 -6.342 2.803 -0.840 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.899 2.824 -0.363 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.287 3.219 0.279 1.00 0.00 C ATOM 0 H VAL A 50 -8.569 3.409 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.906 4.607 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.595 1.783 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.794 2.178 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.247 2.467 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.619 3.843 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.146 2.562 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.075 4.248 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.317 3.145 -0.069 1.00 0.00 H new ATOM 809 N TYR A 51 -4.936 3.388 -3.892 1.00 0.00 N ATOM 810 CA TYR A 51 -4.392 2.742 -5.082 1.00 0.00 C ATOM 811 C TYR A 51 -2.939 2.336 -4.867 1.00 0.00 C ATOM 812 O TYR A 51 -2.118 3.137 -4.420 1.00 0.00 O ATOM 813 CB TYR A 51 -4.507 3.670 -6.294 1.00 0.00 C ATOM 814 CG TYR A 51 -3.698 4.941 -6.168 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.365 4.982 -6.557 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.271 6.104 -5.666 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.624 6.143 -6.446 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.536 7.269 -5.553 1.00 0.00 C ATOM 819 CZ TYR A 51 -2.214 7.283 -5.945 1.00 0.00 C ATOM 820 OH TYR A 51 -1.480 8.443 -5.834 1.00 0.00 O ATOM 0 H TYR A 51 -4.393 4.184 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.974 1.840 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.183 3.131 -7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.555 3.931 -6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.900 4.091 -6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.307 6.097 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.588 6.157 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.995 8.164 -5.160 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.045 9.153 -5.464 1.00 0.00 H new ATOM 830 N ALA A 52 -2.629 1.082 -5.185 1.00 0.00 N ATOM 831 CA ALA A 52 -1.275 0.563 -5.024 1.00 0.00 C ATOM 832 C ALA A 52 -0.406 0.898 -6.230 1.00 0.00 C ATOM 833 O ALA A 52 -0.691 0.476 -7.349 1.00 0.00 O ATOM 834 CB ALA A 52 -1.311 -0.941 -4.802 1.00 0.00 C ATOM 0 H ALA A 52 -3.298 0.407 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.834 1.041 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.294 -1.316 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.887 -1.162 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.778 -1.424 -5.660 1.00 0.00 H new ATOM 840 N GLU A 53 0.660 1.656 -5.990 1.00 0.00 N ATOM 841 CA GLU A 53 1.576 2.042 -7.054 1.00 0.00 C ATOM 842 C GLU A 53 2.786 1.114 -7.089 1.00 0.00 C ATOM 843 O GLU A 53 3.426 0.873 -6.066 1.00 0.00 O ATOM 844 CB GLU A 53 2.031 3.491 -6.863 1.00 0.00 C ATOM 845 CG GLU A 53 1.317 4.475 -7.774 1.00 0.00 C ATOM 846 CD GLU A 53 1.901 5.872 -7.699 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.400 6.249 -6.617 1.00 0.00 O ATOM 848 OE2 GLU A 53 1.859 6.590 -8.720 1.00 0.00 O ATOM 0 H GLU A 53 0.909 2.014 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 53 1.049 1.959 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.865 3.782 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.104 3.553 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.372 4.117 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.261 4.512 -7.505 1.00 0.00 H new ATOM 855 N GLU A 54 3.090 0.592 -8.273 1.00 0.00 N ATOM 856 CA GLU A 54 4.221 -0.313 -8.441 1.00 0.00 C ATOM 857 C GLU A 54 5.473 0.450 -8.862 1.00 0.00 C ATOM 858 O GLU A 54 5.434 1.269 -9.779 1.00 0.00 O ATOM 859 CB GLU A 54 3.890 -1.387 -9.480 1.00 0.00 C ATOM 860 CG GLU A 54 4.758 -2.630 -9.368 1.00 0.00 C ATOM 861 CD GLU A 54 5.122 -3.209 -10.720 1.00 0.00 C ATOM 862 OE1 GLU A 54 4.217 -3.715 -11.414 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.317 -3.157 -11.086 1.00 0.00 O ATOM 0 H GLU A 54 2.569 0.780 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 54 4.417 -0.792 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.844 -1.674 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.004 -0.963 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.670 -2.384 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.232 -3.385 -8.783 1.00 0.00 H new