USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 7 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 89:sc= -0.127 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -50:sc= 0.817 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 33 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.936 X(o=-0.94,f=-1.1) USER MOD Single : A 47 THR OG1 : rot -163:sc= -0.807 USER MOD Single : A 55 GLN : amide:sc= -0.677 K(o=-0.68,f=-3.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 64 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.7) USER MOD Single : A 70 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.016) USER MOD Single : A 71 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.292 -2.989 -9.501 1.00 3.22 N ATOM 2 CA MET A 1 10.409 -2.111 -9.170 1.00 54.55 C ATOM 3 C MET A 1 11.361 -2.787 -8.190 1.00 64.53 C ATOM 4 O MET A 1 11.492 -2.363 -7.042 1.00 20.21 O ATOM 5 CB MET A 1 9.894 -0.798 -8.576 1.00 21.22 C ATOM 6 CG MET A 1 10.874 0.356 -8.711 1.00 62.22 C ATOM 7 SD MET A 1 10.652 1.280 -10.243 1.00 74.14 S ATOM 8 CE MET A 1 12.151 0.845 -11.122 1.00 75.31 C ATOM 0 H1 MET A 1 8.658 -2.507 -10.169 1.00 3.22 H new ATOM 0 H2 MET A 1 9.654 -3.862 -9.935 1.00 3.22 H new ATOM 0 H3 MET A 1 8.767 -3.225 -8.635 1.00 3.22 H new ATOM 0 HA MET A 1 10.955 -1.897 -10.089 1.00 54.55 H new ATOM 0 HB2 MET A 1 8.959 -0.529 -9.067 1.00 21.22 H new ATOM 0 HB3 MET A 1 9.668 -0.950 -7.521 1.00 21.22 H new ATOM 0 HG2 MET A 1 10.754 1.031 -7.864 1.00 62.22 H new ATOM 0 HG3 MET A 1 11.892 -0.030 -8.669 1.00 62.22 H new ATOM 0 HE1 MET A 1 12.161 1.341 -12.092 1.00 75.31 H new ATOM 0 HE2 MET A 1 13.018 1.164 -10.543 1.00 75.31 H new ATOM 0 HE3 MET A 1 12.188 -0.235 -11.266 1.00 75.31 H new ATOM 18 N LYS A 2 12.025 -3.843 -8.650 1.00 41.44 N ATOM 19 CA LYS A 2 12.967 -4.578 -7.815 1.00 71.42 C ATOM 20 C LYS A 2 14.381 -4.488 -8.381 1.00 32.54 C ATOM 21 O LYS A 2 14.570 -4.353 -9.590 1.00 1.01 O ATOM 22 CB LYS A 2 12.543 -6.045 -7.703 1.00 44.33 C ATOM 23 CG LYS A 2 12.764 -6.841 -8.978 1.00 3.31 C ATOM 24 CD LYS A 2 11.918 -8.103 -9.001 1.00 4.22 C ATOM 25 CE LYS A 2 12.067 -8.850 -10.317 1.00 43.44 C ATOM 26 NZ LYS A 2 13.348 -9.606 -10.384 1.00 45.35 N ATOM 0 H LYS A 2 11.928 -4.209 -9.597 1.00 41.44 H new ATOM 0 HA LYS A 2 12.963 -4.128 -6.822 1.00 71.42 H new ATOM 0 HB2 LYS A 2 13.098 -6.514 -6.891 1.00 44.33 H new ATOM 0 HB3 LYS A 2 11.487 -6.090 -7.435 1.00 44.33 H new ATOM 0 HG2 LYS A 2 12.520 -6.222 -9.841 1.00 3.31 H new ATOM 0 HG3 LYS A 2 13.818 -7.107 -9.064 1.00 3.31 H new ATOM 0 HD2 LYS A 2 12.211 -8.754 -8.177 1.00 4.22 H new ATOM 0 HD3 LYS A 2 10.871 -7.843 -8.845 1.00 4.22 H new ATOM 0 HE2 LYS A 2 11.232 -9.539 -10.440 1.00 43.44 H new ATOM 0 HE3 LYS A 2 12.020 -8.142 -11.144 1.00 43.44 H new ATOM 0 HZ1 LYS A 2 13.411 -10.101 -11.296 1.00 45.35 H new ATOM 0 HZ2 LYS A 2 14.146 -8.946 -10.292 1.00 45.35 H new ATOM 0 HZ3 LYS A 2 13.382 -10.300 -9.610 1.00 45.35 H new ATOM 40 N THR A 3 15.372 -4.566 -7.498 1.00 63.13 N ATOM 41 CA THR A 3 16.769 -4.494 -7.909 1.00 54.14 C ATOM 42 C THR A 3 17.630 -5.459 -7.103 1.00 72.53 C ATOM 43 O THR A 3 17.243 -5.895 -6.019 1.00 34.32 O ATOM 44 CB THR A 3 17.328 -3.068 -7.749 1.00 5.13 C ATOM 45 OG1 THR A 3 18.650 -2.996 -8.296 1.00 53.22 O ATOM 46 CG2 THR A 3 17.358 -2.660 -6.283 1.00 63.15 C ATOM 0 H THR A 3 15.233 -4.679 -6.494 1.00 63.13 H new ATOM 0 HA THR A 3 16.804 -4.774 -8.962 1.00 54.14 H new ATOM 0 HB THR A 3 16.674 -2.382 -8.288 1.00 5.13 H new ATOM 0 HG1 THR A 3 18.998 -2.086 -8.192 1.00 53.22 H new ATOM 0 HG21 THR A 3 17.757 -1.649 -6.195 1.00 63.15 H new ATOM 0 HG22 THR A 3 16.347 -2.688 -5.877 1.00 63.15 H new ATOM 0 HG23 THR A 3 17.992 -3.350 -5.726 1.00 63.15 H new ATOM 54 N PHE A 4 18.800 -5.790 -7.639 1.00 41.11 N ATOM 55 CA PHE A 4 19.717 -6.705 -6.969 1.00 13.10 C ATOM 56 C PHE A 4 20.440 -6.006 -5.822 1.00 24.45 C ATOM 57 O PHE A 4 21.062 -4.961 -6.010 1.00 54.03 O ATOM 58 CB PHE A 4 20.735 -7.261 -7.966 1.00 24.20 C ATOM 59 CG PHE A 4 20.120 -7.728 -9.254 1.00 60.21 C ATOM 60 CD1 PHE A 4 19.175 -8.742 -9.259 1.00 3.44 C ATOM 61 CD2 PHE A 4 20.487 -7.154 -10.461 1.00 11.04 C ATOM 62 CE1 PHE A 4 18.607 -9.174 -10.442 1.00 52.52 C ATOM 63 CE2 PHE A 4 19.922 -7.581 -11.647 1.00 75.41 C ATOM 64 CZ PHE A 4 18.981 -8.593 -11.638 1.00 63.21 C ATOM 0 H PHE A 4 19.136 -5.438 -8.536 1.00 41.11 H new ATOM 0 HA PHE A 4 19.134 -7.529 -6.559 1.00 13.10 H new ATOM 0 HB2 PHE A 4 21.475 -6.491 -8.184 1.00 24.20 H new ATOM 0 HB3 PHE A 4 21.267 -8.093 -7.504 1.00 24.20 H new ATOM 0 HD1 PHE A 4 18.879 -9.200 -8.327 1.00 3.44 H new ATOM 0 HD2 PHE A 4 21.223 -6.364 -10.474 1.00 11.04 H new ATOM 0 HE1 PHE A 4 17.872 -9.965 -10.432 1.00 52.52 H new ATOM 0 HE2 PHE A 4 20.215 -7.124 -12.581 1.00 75.41 H new ATOM 0 HZ PHE A 4 18.539 -8.929 -12.564 1.00 63.21 H new ATOM 74 N ALA A 5 20.354 -6.592 -4.632 1.00 22.13 N ATOM 75 CA ALA A 5 21.001 -6.028 -3.454 1.00 3.22 C ATOM 76 C ALA A 5 22.495 -6.335 -3.448 1.00 31.33 C ATOM 77 O ALA A 5 22.907 -7.457 -3.150 1.00 21.30 O ATOM 78 CB ALA A 5 20.346 -6.558 -2.187 1.00 2.31 C ATOM 0 H ALA A 5 19.842 -7.457 -4.459 1.00 22.13 H new ATOM 0 HA ALA A 5 20.879 -4.945 -3.487 1.00 3.22 H new ATOM 0 HB1 ALA A 5 20.839 -6.128 -1.315 1.00 2.31 H new ATOM 0 HB2 ALA A 5 19.292 -6.282 -2.180 1.00 2.31 H new ATOM 0 HB3 ALA A 5 20.437 -7.644 -2.157 1.00 2.31 H new ATOM 84 N LEU A 6 23.302 -5.333 -3.779 1.00 33.25 N ATOM 85 CA LEU A 6 24.751 -5.497 -3.812 1.00 10.22 C ATOM 86 C LEU A 6 25.393 -4.920 -2.554 1.00 20.41 C ATOM 87 O LEU A 6 24.699 -4.468 -1.644 1.00 23.24 O ATOM 88 CB LEU A 6 25.332 -4.817 -5.052 1.00 44.44 C ATOM 89 CG LEU A 6 24.497 -4.921 -6.329 1.00 21.41 C ATOM 90 CD1 LEU A 6 25.228 -4.283 -7.499 1.00 43.53 C ATOM 91 CD2 LEU A 6 24.168 -6.376 -6.633 1.00 51.30 C ATOM 0 H LEU A 6 22.978 -4.399 -4.028 1.00 33.25 H new ATOM 0 HA LEU A 6 24.971 -6.564 -3.853 1.00 10.22 H new ATOM 0 HB2 LEU A 6 25.483 -3.761 -4.826 1.00 44.44 H new ATOM 0 HB3 LEU A 6 26.315 -5.245 -5.249 1.00 44.44 H new ATOM 0 HG LEU A 6 23.563 -4.382 -6.174 1.00 21.41 H new ATOM 0 HD11 LEU A 6 24.618 -4.367 -8.398 1.00 43.53 H new ATOM 0 HD12 LEU A 6 25.413 -3.231 -7.283 1.00 43.53 H new ATOM 0 HD13 LEU A 6 26.178 -4.793 -7.656 1.00 43.53 H new ATOM 0 HD21 LEU A 6 23.573 -6.432 -7.545 1.00 51.30 H new ATOM 0 HD22 LEU A 6 25.092 -6.938 -6.768 1.00 51.30 H new ATOM 0 HD23 LEU A 6 23.602 -6.802 -5.804 1.00 51.30 H new ATOM 103 N GLN A 7 26.721 -4.939 -2.512 1.00 44.43 N ATOM 104 CA GLN A 7 27.456 -4.416 -1.366 1.00 64.25 C ATOM 105 C GLN A 7 27.004 -2.999 -1.029 1.00 74.42 C ATOM 106 O GLN A 7 27.123 -2.088 -1.847 1.00 15.22 O ATOM 107 CB GLN A 7 28.960 -4.430 -1.649 1.00 32.33 C ATOM 108 CG GLN A 7 29.359 -3.606 -2.862 1.00 53.10 C ATOM 109 CD GLN A 7 30.717 -3.995 -3.411 1.00 4.23 C ATOM 110 OE1 GLN A 7 31.157 -5.135 -3.261 1.00 73.43 O ATOM 111 NE2 GLN A 7 31.391 -3.046 -4.051 1.00 23.43 N ATOM 0 H GLN A 7 27.310 -5.310 -3.257 1.00 44.43 H new ATOM 0 HA GLN A 7 27.248 -5.057 -0.510 1.00 64.25 H new ATOM 0 HB2 GLN A 7 29.489 -4.053 -0.774 1.00 32.33 H new ATOM 0 HB3 GLN A 7 29.284 -5.460 -1.798 1.00 32.33 H new ATOM 0 HG2 GLN A 7 28.608 -3.728 -3.642 1.00 53.10 H new ATOM 0 HG3 GLN A 7 29.370 -2.550 -2.592 1.00 53.10 H new ATOM 0 HE21 GLN A 7 30.988 -2.114 -4.152 1.00 23.43 H new ATOM 0 HE22 GLN A 7 32.311 -3.249 -4.441 1.00 23.43 H new ATOM 120 N GLY A 8 26.483 -2.822 0.181 1.00 1.14 N ATOM 121 CA GLY A 8 26.020 -1.514 0.605 1.00 12.41 C ATOM 122 C GLY A 8 24.764 -1.079 -0.124 1.00 31.10 C ATOM 123 O GLY A 8 24.476 0.114 -0.222 1.00 21.11 O ATOM 0 H GLY A 8 26.373 -3.561 0.875 1.00 1.14 H new ATOM 0 HA2 GLY A 8 25.826 -1.531 1.678 1.00 12.41 H new ATOM 0 HA3 GLY A 8 26.808 -0.780 0.435 1.00 12.41 H new ATOM 127 N ASP A 9 24.015 -2.048 -0.638 1.00 62.43 N ATOM 128 CA ASP A 9 22.783 -1.760 -1.363 1.00 61.02 C ATOM 129 C ASP A 9 21.609 -2.532 -0.769 1.00 3.25 C ATOM 130 O ASP A 9 20.626 -2.814 -1.454 1.00 70.12 O ATOM 131 CB ASP A 9 22.943 -2.111 -2.843 1.00 70.03 C ATOM 132 CG ASP A 9 23.587 -0.992 -3.638 1.00 14.55 C ATOM 133 OD1 ASP A 9 24.597 -0.432 -3.163 1.00 5.00 O ATOM 134 OD2 ASP A 9 23.080 -0.675 -4.734 1.00 60.51 O ATOM 0 H ASP A 9 24.240 -3.040 -0.566 1.00 62.43 H new ATOM 0 HA ASP A 9 22.577 -0.694 -1.270 1.00 61.02 H new ATOM 0 HB2 ASP A 9 23.548 -3.013 -2.936 1.00 70.03 H new ATOM 0 HB3 ASP A 9 21.965 -2.338 -3.267 1.00 70.03 H new ATOM 139 N THR A 10 21.719 -2.872 0.512 1.00 20.00 N ATOM 140 CA THR A 10 20.669 -3.613 1.199 1.00 74.03 C ATOM 141 C THR A 10 19.438 -2.742 1.424 1.00 43.32 C ATOM 142 O THR A 10 19.417 -1.570 1.045 1.00 51.11 O ATOM 143 CB THR A 10 21.157 -4.152 2.556 1.00 22.33 C ATOM 144 OG1 THR A 10 21.260 -3.081 3.501 1.00 52.02 O ATOM 145 CG2 THR A 10 22.507 -4.839 2.412 1.00 40.21 C ATOM 0 H THR A 10 22.525 -2.646 1.094 1.00 20.00 H new ATOM 0 HA THR A 10 20.404 -4.453 0.557 1.00 74.03 H new ATOM 0 HB THR A 10 20.431 -4.883 2.913 1.00 22.33 H new ATOM 0 HG1 THR A 10 21.569 -3.433 4.362 1.00 52.02 H new ATOM 0 HG21 THR A 10 22.831 -5.212 3.384 1.00 40.21 H new ATOM 0 HG22 THR A 10 22.419 -5.672 1.715 1.00 40.21 H new ATOM 0 HG23 THR A 10 23.240 -4.126 2.034 1.00 40.21 H new ATOM 153 N LEU A 11 18.415 -3.320 2.043 1.00 1.10 N ATOM 154 CA LEU A 11 17.180 -2.595 2.320 1.00 73.12 C ATOM 155 C LEU A 11 17.472 -1.260 2.998 1.00 33.52 C ATOM 156 O LEU A 11 16.917 -0.227 2.623 1.00 63.45 O ATOM 157 CB LEU A 11 16.258 -3.438 3.203 1.00 55.15 C ATOM 158 CG LEU A 11 16.070 -4.895 2.778 1.00 12.13 C ATOM 159 CD1 LEU A 11 16.807 -5.827 3.728 1.00 52.51 C ATOM 160 CD2 LEU A 11 14.591 -5.248 2.723 1.00 14.10 C ATOM 0 H LEU A 11 18.416 -4.289 2.363 1.00 1.10 H new ATOM 0 HA LEU A 11 16.683 -2.398 1.370 1.00 73.12 H new ATOM 0 HB2 LEU A 11 16.650 -3.425 4.220 1.00 55.15 H new ATOM 0 HB3 LEU A 11 15.279 -2.960 3.232 1.00 55.15 H new ATOM 0 HG LEU A 11 16.490 -5.020 1.780 1.00 12.13 H new ATOM 0 HD11 LEU A 11 16.662 -6.860 3.410 1.00 52.51 H new ATOM 0 HD12 LEU A 11 17.871 -5.590 3.718 1.00 52.51 H new ATOM 0 HD13 LEU A 11 16.417 -5.700 4.738 1.00 52.51 H new ATOM 0 HD21 LEU A 11 14.476 -6.288 2.419 1.00 14.10 H new ATOM 0 HD22 LEU A 11 14.146 -5.107 3.708 1.00 14.10 H new ATOM 0 HD23 LEU A 11 14.089 -4.602 2.003 1.00 14.10 H new ATOM 172 N ASP A 12 18.347 -1.290 3.997 1.00 14.34 N ATOM 173 CA ASP A 12 18.715 -0.082 4.726 1.00 3.33 C ATOM 174 C ASP A 12 19.224 0.995 3.772 1.00 32.34 C ATOM 175 O ASP A 12 19.055 2.188 4.021 1.00 50.11 O ATOM 176 CB ASP A 12 19.784 -0.399 5.774 1.00 50.43 C ATOM 177 CG ASP A 12 19.217 -1.123 6.979 1.00 53.32 C ATOM 178 OD1 ASP A 12 18.005 -0.978 7.241 1.00 75.21 O ATOM 179 OD2 ASP A 12 19.985 -1.833 7.660 1.00 22.34 O ATOM 0 H ASP A 12 18.814 -2.137 4.320 1.00 14.34 H new ATOM 0 HA ASP A 12 17.824 0.295 5.229 1.00 3.33 H new ATOM 0 HB2 ASP A 12 20.564 -1.011 5.320 1.00 50.43 H new ATOM 0 HB3 ASP A 12 20.256 0.528 6.100 1.00 50.43 H new ATOM 184 N ALA A 13 19.848 0.564 2.681 1.00 52.11 N ATOM 185 CA ALA A 13 20.380 1.491 1.690 1.00 60.34 C ATOM 186 C ALA A 13 19.321 1.857 0.656 1.00 74.54 C ATOM 187 O ALA A 13 18.997 3.031 0.474 1.00 73.41 O ATOM 188 CB ALA A 13 21.601 0.890 1.008 1.00 54.42 C ATOM 0 H ALA A 13 19.998 -0.421 2.461 1.00 52.11 H new ATOM 0 HA ALA A 13 20.677 2.404 2.205 1.00 60.34 H new ATOM 0 HB1 ALA A 13 21.988 1.593 0.270 1.00 54.42 H new ATOM 0 HB2 ALA A 13 22.370 0.685 1.753 1.00 54.42 H new ATOM 0 HB3 ALA A 13 21.320 -0.039 0.512 1.00 54.42 H new ATOM 194 N ILE A 14 18.785 0.845 -0.019 1.00 62.04 N ATOM 195 CA ILE A 14 17.762 1.061 -1.035 1.00 1.31 C ATOM 196 C ILE A 14 16.625 1.922 -0.495 1.00 1.10 C ATOM 197 O ILE A 14 16.169 2.854 -1.159 1.00 4.23 O ATOM 198 CB ILE A 14 17.184 -0.272 -1.545 1.00 21.13 C ATOM 199 CG1 ILE A 14 18.283 -1.113 -2.197 1.00 61.22 C ATOM 200 CG2 ILE A 14 16.051 -0.017 -2.527 1.00 50.03 C ATOM 201 CD1 ILE A 14 17.898 -2.563 -2.395 1.00 11.43 C ATOM 0 H ILE A 14 19.042 -0.132 0.119 1.00 62.04 H new ATOM 0 HA ILE A 14 18.245 1.578 -1.864 1.00 1.31 H new ATOM 0 HB ILE A 14 16.784 -0.826 -0.696 1.00 21.13 H new ATOM 0 HG12 ILE A 14 18.537 -0.678 -3.164 1.00 61.22 H new ATOM 0 HG13 ILE A 14 19.180 -1.065 -1.580 1.00 61.22 H new ATOM 0 HG21 ILE A 14 15.653 -0.969 -2.878 1.00 50.03 H new ATOM 0 HG22 ILE A 14 15.260 0.546 -2.032 1.00 50.03 H new ATOM 0 HG23 ILE A 14 16.427 0.555 -3.376 1.00 50.03 H new ATOM 0 HD11 ILE A 14 18.725 -3.098 -2.862 1.00 11.43 H new ATOM 0 HD12 ILE A 14 17.672 -3.015 -1.429 1.00 11.43 H new ATOM 0 HD13 ILE A 14 17.019 -2.622 -3.037 1.00 11.43 H new ATOM 213 N CYS A 15 16.173 1.605 0.713 1.00 73.20 N ATOM 214 CA CYS A 15 15.089 2.350 1.344 1.00 51.04 C ATOM 215 C CYS A 15 15.450 3.826 1.477 1.00 33.14 C ATOM 216 O CYS A 15 14.574 4.691 1.491 1.00 2.23 O ATOM 217 CB CYS A 15 14.772 1.763 2.720 1.00 51.22 C ATOM 218 SG CYS A 15 13.863 0.201 2.665 1.00 40.13 S ATOM 0 H CYS A 15 16.540 0.837 1.275 1.00 73.20 H new ATOM 0 HA CYS A 15 14.206 2.266 0.710 1.00 51.04 H new ATOM 0 HB2 CYS A 15 15.706 1.609 3.261 1.00 51.22 H new ATOM 0 HB3 CYS A 15 14.191 2.489 3.288 1.00 51.22 H new ATOM 0 HG CYS A 15 14.704 -0.789 2.616 1.00 40.13 H new ATOM 224 N VAL A 16 16.745 4.106 1.577 1.00 3.34 N ATOM 225 CA VAL A 16 17.223 5.477 1.711 1.00 54.40 C ATOM 226 C VAL A 16 17.403 6.132 0.346 1.00 54.10 C ATOM 227 O VAL A 16 17.257 7.346 0.205 1.00 43.44 O ATOM 228 CB VAL A 16 18.558 5.535 2.476 1.00 64.33 C ATOM 229 CG1 VAL A 16 19.104 6.955 2.492 1.00 30.52 C ATOM 230 CG2 VAL A 16 18.385 5.005 3.891 1.00 14.11 C ATOM 0 H VAL A 16 17.483 3.401 1.568 1.00 3.34 H new ATOM 0 HA VAL A 16 16.466 6.022 2.276 1.00 54.40 H new ATOM 0 HB VAL A 16 19.279 4.900 1.961 1.00 64.33 H new ATOM 0 HG11 VAL A 16 20.048 6.976 3.037 1.00 30.52 H new ATOM 0 HG12 VAL A 16 19.268 7.293 1.469 1.00 30.52 H new ATOM 0 HG13 VAL A 16 18.388 7.615 2.982 1.00 30.52 H new ATOM 0 HG21 VAL A 16 19.339 5.054 4.417 1.00 14.11 H new ATOM 0 HG22 VAL A 16 17.648 5.611 4.419 1.00 14.11 H new ATOM 0 HG23 VAL A 16 18.044 3.970 3.853 1.00 14.11 H new ATOM 240 N ARG A 17 17.719 5.319 -0.657 1.00 3.42 N ATOM 241 CA ARG A 17 17.920 5.820 -2.011 1.00 71.34 C ATOM 242 C ARG A 17 16.593 5.909 -2.760 1.00 63.11 C ATOM 243 O ARG A 17 16.514 6.504 -3.835 1.00 2.31 O ATOM 244 CB ARG A 17 18.888 4.914 -2.774 1.00 63.22 C ATOM 245 CG ARG A 17 18.200 3.798 -3.544 1.00 25.13 C ATOM 246 CD ARG A 17 19.207 2.917 -4.266 1.00 64.40 C ATOM 247 NE ARG A 17 20.074 2.199 -3.335 1.00 32.11 N ATOM 248 CZ ARG A 17 21.241 2.667 -2.908 1.00 65.21 C ATOM 249 NH1 ARG A 17 21.680 3.846 -3.326 1.00 54.24 N ATOM 250 NH2 ARG A 17 21.973 1.955 -2.061 1.00 22.25 N ATOM 0 H ARG A 17 17.841 4.311 -0.557 1.00 3.42 H new ATOM 0 HA ARG A 17 18.347 6.821 -1.942 1.00 71.34 H new ATOM 0 HB2 ARG A 17 19.468 5.520 -3.470 1.00 63.22 H new ATOM 0 HB3 ARG A 17 19.594 4.476 -2.069 1.00 63.22 H new ATOM 0 HG2 ARG A 17 17.610 3.191 -2.857 1.00 25.13 H new ATOM 0 HG3 ARG A 17 17.506 4.227 -4.267 1.00 25.13 H new ATOM 0 HD2 ARG A 17 18.677 2.200 -4.894 1.00 64.40 H new ATOM 0 HD3 ARG A 17 19.817 3.531 -4.928 1.00 64.40 H new ATOM 0 HE ARG A 17 19.766 1.288 -2.994 1.00 32.11 H new ATOM 0 HH11 ARG A 17 21.121 4.397 -3.978 1.00 54.24 H new ATOM 0 HH12 ARG A 17 22.577 4.203 -2.996 1.00 54.24 H new ATOM 0 HH21 ARG A 17 21.640 1.047 -1.737 1.00 22.25 H new ATOM 0 HH22 ARG A 17 22.869 2.316 -1.734 1.00 22.25 H new ATOM 264 N TYR A 18 15.555 5.313 -2.185 1.00 55.13 N ATOM 265 CA TYR A 18 14.232 5.323 -2.799 1.00 60.42 C ATOM 266 C TYR A 18 13.283 6.240 -2.034 1.00 33.40 C ATOM 267 O TYR A 18 12.780 7.224 -2.576 1.00 45.25 O ATOM 268 CB TYR A 18 13.660 3.905 -2.849 1.00 52.03 C ATOM 269 CG TYR A 18 13.900 3.201 -4.166 1.00 4.04 C ATOM 270 CD1 TYR A 18 15.114 2.581 -4.433 1.00 25.23 C ATOM 271 CD2 TYR A 18 12.913 3.155 -5.142 1.00 13.41 C ATOM 272 CE1 TYR A 18 15.339 1.937 -5.634 1.00 53.23 C ATOM 273 CE2 TYR A 18 13.128 2.513 -6.346 1.00 34.21 C ATOM 274 CZ TYR A 18 14.342 1.906 -6.587 1.00 63.35 C ATOM 275 OH TYR A 18 14.561 1.264 -7.785 1.00 42.42 O ATOM 0 H TYR A 18 15.603 4.817 -1.295 1.00 55.13 H new ATOM 0 HA TYR A 18 14.334 5.703 -3.816 1.00 60.42 H new ATOM 0 HB2 TYR A 18 14.102 3.315 -2.046 1.00 52.03 H new ATOM 0 HB3 TYR A 18 12.587 3.948 -2.660 1.00 52.03 H new ATOM 0 HD1 TYR A 18 15.896 2.603 -3.688 1.00 25.23 H new ATOM 0 HD2 TYR A 18 11.961 3.629 -4.956 1.00 13.41 H new ATOM 0 HE1 TYR A 18 16.289 1.461 -5.826 1.00 53.23 H new ATOM 0 HE2 TYR A 18 12.350 2.487 -7.094 1.00 34.21 H new ATOM 0 HH TYR A 18 13.759 1.333 -8.344 1.00 42.42 H new ATOM 285 N TYR A 19 13.042 5.909 -0.770 1.00 62.02 N ATOM 286 CA TYR A 19 12.152 6.701 0.071 1.00 62.52 C ATOM 287 C TYR A 19 12.937 7.734 0.873 1.00 51.21 C ATOM 288 O TYR A 19 12.464 8.846 1.105 1.00 20.14 O ATOM 289 CB TYR A 19 11.369 5.791 1.019 1.00 71.43 C ATOM 290 CG TYR A 19 10.849 4.533 0.359 1.00 3.13 C ATOM 291 CD1 TYR A 19 9.654 4.539 -0.349 1.00 44.34 C ATOM 292 CD2 TYR A 19 11.554 3.339 0.444 1.00 23.33 C ATOM 293 CE1 TYR A 19 9.176 3.393 -0.953 1.00 33.53 C ATOM 294 CE2 TYR A 19 11.084 2.187 -0.157 1.00 51.31 C ATOM 295 CZ TYR A 19 9.894 2.219 -0.854 1.00 0.21 C ATOM 296 OH TYR A 19 9.421 1.075 -1.455 1.00 23.04 O ATOM 0 H TYR A 19 13.450 5.098 -0.305 1.00 62.02 H new ATOM 0 HA TYR A 19 11.452 7.227 -0.578 1.00 62.52 H new ATOM 0 HB2 TYR A 19 12.010 5.514 1.856 1.00 71.43 H new ATOM 0 HB3 TYR A 19 10.529 6.348 1.433 1.00 71.43 H new ATOM 0 HD1 TYR A 19 9.089 5.456 -0.428 1.00 44.34 H new ATOM 0 HD2 TYR A 19 12.486 3.311 0.989 1.00 23.33 H new ATOM 0 HE1 TYR A 19 8.245 3.416 -1.500 1.00 33.53 H new ATOM 0 HE2 TYR A 19 11.645 1.267 -0.082 1.00 51.31 H new ATOM 0 HH TYR A 19 8.485 0.935 -1.201 1.00 23.04 H new ATOM 306 N GLY A 20 14.141 7.358 1.293 1.00 1.11 N ATOM 307 CA GLY A 20 14.974 8.263 2.064 1.00 33.21 C ATOM 308 C GLY A 20 14.821 8.060 3.558 1.00 32.05 C ATOM 309 O GLY A 20 15.077 8.972 4.345 1.00 72.02 O ATOM 0 H GLY A 20 14.555 6.443 1.113 1.00 1.11 H new ATOM 0 HA2 GLY A 20 16.018 8.117 1.786 1.00 33.21 H new ATOM 0 HA3 GLY A 20 14.717 9.292 1.812 1.00 33.21 H new ATOM 313 N ARG A 21 14.401 6.862 3.952 1.00 72.15 N ATOM 314 CA ARG A 21 14.211 6.543 5.362 1.00 42.54 C ATOM 315 C ARG A 21 14.071 5.038 5.565 1.00 63.32 C ATOM 316 O ARG A 21 13.805 4.294 4.620 1.00 41.12 O ATOM 317 CB ARG A 21 12.974 7.260 5.906 1.00 31.52 C ATOM 318 CG ARG A 21 11.670 6.773 5.294 1.00 3.52 C ATOM 319 CD ARG A 21 11.243 7.649 4.127 1.00 74.35 C ATOM 320 NE ARG A 21 9.796 7.849 4.093 1.00 23.14 N ATOM 321 CZ ARG A 21 9.146 8.335 3.042 1.00 35.23 C ATOM 322 NH1 ARG A 21 9.809 8.668 1.944 1.00 72.13 N ATOM 323 NH2 ARG A 21 7.828 8.488 3.089 1.00 63.23 N ATOM 0 H ARG A 21 14.186 6.096 3.314 1.00 72.15 H new ATOM 0 HA ARG A 21 15.090 6.885 5.908 1.00 42.54 H new ATOM 0 HB2 ARG A 21 12.932 7.124 6.987 1.00 31.52 H new ATOM 0 HB3 ARG A 21 13.074 8.330 5.723 1.00 31.52 H new ATOM 0 HG2 ARG A 21 11.788 5.744 4.954 1.00 3.52 H new ATOM 0 HG3 ARG A 21 10.888 6.770 6.054 1.00 3.52 H new ATOM 0 HD2 ARG A 21 11.741 8.616 4.198 1.00 74.35 H new ATOM 0 HD3 ARG A 21 11.568 7.191 3.192 1.00 74.35 H new ATOM 0 HE ARG A 21 9.256 7.602 4.922 1.00 23.14 H new ATOM 0 HH11 ARG A 21 10.822 8.551 1.904 1.00 72.13 H new ATOM 0 HH12 ARG A 21 9.307 9.041 1.138 1.00 72.13 H new ATOM 0 HH21 ARG A 21 7.315 8.232 3.932 1.00 63.23 H new ATOM 0 HH22 ARG A 21 7.329 8.861 2.282 1.00 63.23 H new ATOM 337 N THR A 22 14.253 4.594 6.805 1.00 61.53 N ATOM 338 CA THR A 22 14.149 3.177 7.132 1.00 1.21 C ATOM 339 C THR A 22 13.026 2.925 8.132 1.00 43.01 C ATOM 340 O THR A 22 12.437 1.845 8.157 1.00 1.12 O ATOM 341 CB THR A 22 15.469 2.636 7.713 1.00 43.41 C ATOM 342 OG1 THR A 22 16.125 3.658 8.473 1.00 71.22 O ATOM 343 CG2 THR A 22 16.391 2.153 6.603 1.00 34.53 C ATOM 0 H THR A 22 14.473 5.195 7.599 1.00 61.53 H new ATOM 0 HA THR A 22 13.928 2.653 6.202 1.00 1.21 H new ATOM 0 HB THR A 22 15.236 1.793 8.363 1.00 43.41 H new ATOM 0 HG1 THR A 22 16.962 3.306 8.840 1.00 71.22 H new ATOM 0 HG21 THR A 22 17.317 1.776 7.037 1.00 34.53 H new ATOM 0 HG22 THR A 22 15.901 1.356 6.044 1.00 34.53 H new ATOM 0 HG23 THR A 22 16.617 2.981 5.931 1.00 34.53 H new ATOM 351 N GLU A 23 12.735 3.929 8.954 1.00 61.25 N ATOM 352 CA GLU A 23 11.682 3.814 9.955 1.00 31.15 C ATOM 353 C GLU A 23 10.304 3.823 9.300 1.00 50.11 C ATOM 354 O GLU A 23 9.870 4.838 8.757 1.00 15.11 O ATOM 355 CB GLU A 23 11.784 4.956 10.969 1.00 45.04 C ATOM 356 CG GLU A 23 10.779 4.856 12.103 1.00 75.51 C ATOM 357 CD GLU A 23 11.302 4.053 13.278 1.00 65.21 C ATOM 358 OE1 GLU A 23 12.505 4.174 13.591 1.00 62.34 O ATOM 359 OE2 GLU A 23 10.509 3.304 13.885 1.00 74.42 O ATOM 0 H GLU A 23 13.213 4.830 8.946 1.00 61.25 H new ATOM 0 HA GLU A 23 11.812 2.864 10.474 1.00 31.15 H new ATOM 0 HB2 GLU A 23 12.790 4.970 11.387 1.00 45.04 H new ATOM 0 HB3 GLU A 23 11.641 5.904 10.451 1.00 45.04 H new ATOM 0 HG2 GLU A 23 10.517 5.859 12.441 1.00 75.51 H new ATOM 0 HG3 GLU A 23 9.863 4.396 11.732 1.00 75.51 H new ATOM 366 N GLY A 24 9.621 2.683 9.355 1.00 43.45 N ATOM 367 CA GLY A 24 8.300 2.581 8.762 1.00 24.32 C ATOM 368 C GLY A 24 8.332 1.966 7.377 1.00 24.10 C ATOM 369 O GLY A 24 7.311 1.496 6.875 1.00 44.25 O ATOM 0 H GLY A 24 9.959 1.829 9.799 1.00 43.45 H new ATOM 0 HA2 GLY A 24 7.660 1.980 9.408 1.00 24.32 H new ATOM 0 HA3 GLY A 24 7.853 3.574 8.705 1.00 24.32 H new ATOM 373 N VAL A 25 9.508 1.970 6.756 1.00 31.24 N ATOM 374 CA VAL A 25 9.669 1.409 5.420 1.00 31.23 C ATOM 375 C VAL A 25 10.211 -0.015 5.484 1.00 43.43 C ATOM 376 O VAL A 25 9.736 -0.904 4.777 1.00 43.42 O ATOM 377 CB VAL A 25 10.614 2.269 4.561 1.00 62.13 C ATOM 378 CG1 VAL A 25 10.625 1.775 3.122 1.00 5.10 C ATOM 379 CG2 VAL A 25 10.209 3.734 4.627 1.00 23.31 C ATOM 0 H VAL A 25 10.363 2.356 7.157 1.00 31.24 H new ATOM 0 HA VAL A 25 8.681 1.398 4.959 1.00 31.23 H new ATOM 0 HB VAL A 25 11.624 2.177 4.960 1.00 62.13 H new ATOM 0 HG11 VAL A 25 11.298 2.395 2.530 1.00 5.10 H new ATOM 0 HG12 VAL A 25 10.966 0.740 3.095 1.00 5.10 H new ATOM 0 HG13 VAL A 25 9.618 1.836 2.709 1.00 5.10 H new ATOM 0 HG21 VAL A 25 10.888 4.327 4.014 1.00 23.31 H new ATOM 0 HG22 VAL A 25 9.191 3.847 4.254 1.00 23.31 H new ATOM 0 HG23 VAL A 25 10.258 4.079 5.660 1.00 23.31 H new ATOM 389 N VAL A 26 11.210 -0.224 6.336 1.00 35.31 N ATOM 390 CA VAL A 26 11.816 -1.541 6.494 1.00 44.43 C ATOM 391 C VAL A 26 10.764 -2.597 6.811 1.00 13.32 C ATOM 392 O VAL A 26 10.940 -3.775 6.503 1.00 41.32 O ATOM 393 CB VAL A 26 12.879 -1.539 7.609 1.00 53.00 C ATOM 394 CG1 VAL A 26 14.048 -0.642 7.232 1.00 54.41 C ATOM 395 CG2 VAL A 26 12.264 -1.101 8.929 1.00 14.44 C ATOM 0 H VAL A 26 11.616 0.501 6.927 1.00 35.31 H new ATOM 0 HA VAL A 26 12.295 -1.785 5.546 1.00 44.43 H new ATOM 0 HB VAL A 26 13.257 -2.554 7.729 1.00 53.00 H new ATOM 0 HG11 VAL A 26 14.788 -0.654 8.032 1.00 54.41 H new ATOM 0 HG12 VAL A 26 14.503 -1.006 6.311 1.00 54.41 H new ATOM 0 HG13 VAL A 26 13.691 0.377 7.083 1.00 54.41 H new ATOM 0 HG21 VAL A 26 13.029 -1.105 9.706 1.00 14.44 H new ATOM 0 HG22 VAL A 26 11.858 -0.095 8.825 1.00 14.44 H new ATOM 0 HG23 VAL A 26 11.464 -1.789 9.204 1.00 14.44 H new ATOM 405 N GLU A 27 9.668 -2.166 7.429 1.00 4.41 N ATOM 406 CA GLU A 27 8.587 -3.075 7.789 1.00 71.24 C ATOM 407 C GLU A 27 7.797 -3.497 6.553 1.00 63.12 C ATOM 408 O GLU A 27 7.325 -4.631 6.460 1.00 43.22 O ATOM 409 CB GLU A 27 7.652 -2.415 8.804 1.00 73.10 C ATOM 410 CG GLU A 27 8.192 -2.423 10.224 1.00 21.01 C ATOM 411 CD GLU A 27 7.468 -1.446 11.129 1.00 13.14 C ATOM 412 OE1 GLU A 27 6.269 -1.190 10.887 1.00 23.42 O ATOM 413 OE2 GLU A 27 8.098 -0.937 12.079 1.00 3.32 O ATOM 0 H GLU A 27 9.506 -1.193 7.690 1.00 4.41 H new ATOM 0 HA GLU A 27 9.029 -3.964 8.238 1.00 71.24 H new ATOM 0 HB2 GLU A 27 7.469 -1.384 8.500 1.00 73.10 H new ATOM 0 HB3 GLU A 27 6.691 -2.928 8.787 1.00 73.10 H new ATOM 0 HG2 GLU A 27 8.104 -3.428 10.636 1.00 21.01 H new ATOM 0 HG3 GLU A 27 9.254 -2.178 10.206 1.00 21.01 H new ATOM 420 N THR A 28 7.657 -2.576 5.604 1.00 11.15 N ATOM 421 CA THR A 28 6.924 -2.850 4.375 1.00 33.11 C ATOM 422 C THR A 28 7.639 -3.899 3.531 1.00 52.43 C ATOM 423 O THR A 28 7.108 -4.983 3.289 1.00 42.11 O ATOM 424 CB THR A 28 6.736 -1.572 3.536 1.00 62.21 C ATOM 425 OG1 THR A 28 6.721 -0.423 4.390 1.00 10.00 O ATOM 426 CG2 THR A 28 5.443 -1.634 2.737 1.00 32.05 C ATOM 0 H THR A 28 8.042 -1.633 5.664 1.00 11.15 H new ATOM 0 HA THR A 28 5.945 -3.230 4.668 1.00 33.11 H new ATOM 0 HB THR A 28 7.571 -1.495 2.840 1.00 62.21 H new ATOM 0 HG1 THR A 28 6.603 0.385 3.849 1.00 10.00 H new ATOM 0 HG21 THR A 28 5.332 -0.721 2.153 1.00 32.05 H new ATOM 0 HG22 THR A 28 5.471 -2.493 2.066 1.00 32.05 H new ATOM 0 HG23 THR A 28 4.598 -1.733 3.419 1.00 32.05 H new ATOM 434 N VAL A 29 8.847 -3.569 3.085 1.00 72.15 N ATOM 435 CA VAL A 29 9.636 -4.484 2.268 1.00 10.21 C ATOM 436 C VAL A 29 9.771 -5.845 2.942 1.00 41.41 C ATOM 437 O VAL A 29 9.711 -6.884 2.284 1.00 75.21 O ATOM 438 CB VAL A 29 11.042 -3.918 1.991 1.00 33.42 C ATOM 439 CG1 VAL A 29 11.801 -4.821 1.030 1.00 14.13 C ATOM 440 CG2 VAL A 29 10.948 -2.502 1.444 1.00 74.22 C ATOM 0 H VAL A 29 9.300 -2.675 3.275 1.00 72.15 H new ATOM 0 HA VAL A 29 9.107 -4.601 1.322 1.00 10.21 H new ATOM 0 HB VAL A 29 11.593 -3.883 2.931 1.00 33.42 H new ATOM 0 HG11 VAL A 29 12.792 -4.405 0.846 1.00 14.13 H new ATOM 0 HG12 VAL A 29 11.900 -5.815 1.466 1.00 14.13 H new ATOM 0 HG13 VAL A 29 11.256 -4.890 0.089 1.00 14.13 H new ATOM 0 HG21 VAL A 29 11.950 -2.118 1.254 1.00 74.22 H new ATOM 0 HG22 VAL A 29 10.380 -2.508 0.514 1.00 74.22 H new ATOM 0 HG23 VAL A 29 10.447 -1.864 2.171 1.00 74.22 H new ATOM 450 N LEU A 30 9.954 -5.832 4.258 1.00 50.55 N ATOM 451 CA LEU A 30 10.097 -7.066 5.022 1.00 2.54 C ATOM 452 C LEU A 30 8.880 -7.966 4.836 1.00 64.21 C ATOM 453 O LEU A 30 9.014 -9.174 4.641 1.00 51.11 O ATOM 454 CB LEU A 30 10.289 -6.749 6.507 1.00 63.33 C ATOM 455 CG LEU A 30 11.736 -6.598 6.979 1.00 13.00 C ATOM 456 CD1 LEU A 30 11.779 -6.113 8.420 1.00 53.44 C ATOM 457 CD2 LEU A 30 12.484 -7.915 6.835 1.00 22.15 C ATOM 0 H LEU A 30 10.007 -4.981 4.818 1.00 50.55 H new ATOM 0 HA LEU A 30 10.976 -7.594 4.652 1.00 2.54 H new ATOM 0 HB2 LEU A 30 9.756 -5.825 6.733 1.00 63.33 H new ATOM 0 HB3 LEU A 30 9.818 -7.540 7.091 1.00 63.33 H new ATOM 0 HG LEU A 30 12.227 -5.854 6.352 1.00 13.00 H new ATOM 0 HD11 LEU A 30 12.816 -6.011 8.739 1.00 53.44 H new ATOM 0 HD12 LEU A 30 11.280 -5.147 8.494 1.00 53.44 H new ATOM 0 HD13 LEU A 30 11.271 -6.833 9.062 1.00 53.44 H new ATOM 0 HD21 LEU A 30 13.512 -7.789 7.175 1.00 22.15 H new ATOM 0 HD22 LEU A 30 11.994 -8.680 7.437 1.00 22.15 H new ATOM 0 HD23 LEU A 30 12.483 -8.221 5.789 1.00 22.15 H new ATOM 469 N ALA A 31 7.694 -7.369 4.895 1.00 24.52 N ATOM 470 CA ALA A 31 6.454 -8.117 4.729 1.00 41.24 C ATOM 471 C ALA A 31 6.323 -8.653 3.307 1.00 11.10 C ATOM 472 O ALA A 31 5.651 -9.657 3.072 1.00 41.22 O ATOM 473 CB ALA A 31 5.259 -7.241 5.077 1.00 65.32 C ATOM 0 H ALA A 31 7.566 -6.370 5.056 1.00 24.52 H new ATOM 0 HA ALA A 31 6.477 -8.968 5.410 1.00 41.24 H new ATOM 0 HB1 ALA A 31 4.340 -7.812 4.949 1.00 65.32 H new ATOM 0 HB2 ALA A 31 5.339 -6.911 6.113 1.00 65.32 H new ATOM 0 HB3 ALA A 31 5.241 -6.372 4.419 1.00 65.32 H new ATOM 479 N ALA A 32 6.968 -7.976 2.363 1.00 64.54 N ATOM 480 CA ALA A 32 6.925 -8.386 0.964 1.00 35.14 C ATOM 481 C ALA A 32 7.970 -9.457 0.673 1.00 43.11 C ATOM 482 O ALA A 32 7.791 -10.287 -0.217 1.00 33.22 O ATOM 483 CB ALA A 32 7.130 -7.183 0.055 1.00 24.44 C ATOM 0 H ALA A 32 7.527 -7.141 2.541 1.00 64.54 H new ATOM 0 HA ALA A 32 5.942 -8.813 0.766 1.00 35.14 H new ATOM 0 HB1 ALA A 32 7.096 -7.504 -0.986 1.00 24.44 H new ATOM 0 HB2 ALA A 32 6.342 -6.452 0.236 1.00 24.44 H new ATOM 0 HB3 ALA A 32 8.100 -6.731 0.263 1.00 24.44 H new ATOM 489 N ASN A 33 9.064 -9.431 1.428 1.00 35.04 N ATOM 490 CA ASN A 33 10.139 -10.400 1.250 1.00 42.53 C ATOM 491 C ASN A 33 10.506 -11.056 2.577 1.00 33.50 C ATOM 492 O ASN A 33 11.547 -10.776 3.170 1.00 4.03 O ATOM 493 CB ASN A 33 11.370 -9.720 0.647 1.00 25.00 C ATOM 494 CG ASN A 33 11.117 -9.202 -0.756 1.00 33.44 C ATOM 495 OD1 ASN A 33 11.088 -9.971 -1.717 1.00 45.21 O ATOM 496 ND2 ASN A 33 10.931 -7.893 -0.878 1.00 73.34 N ATOM 0 H ASN A 33 9.229 -8.749 2.169 1.00 35.04 H new ATOM 0 HA ASN A 33 9.788 -11.174 0.568 1.00 42.53 H new ATOM 0 HB2 ASN A 33 11.674 -8.892 1.287 1.00 25.00 H new ATOM 0 HB3 ASN A 33 12.199 -10.428 0.626 1.00 25.00 H new ATOM 0 HD21 ASN A 33 10.755 -7.486 -1.797 1.00 73.34 H new ATOM 0 HD22 ASN A 33 10.964 -7.294 -0.053 1.00 73.34 H new ATOM 503 N PRO A 34 9.630 -11.953 3.055 1.00 21.02 N ATOM 504 CA PRO A 34 9.840 -12.670 4.317 1.00 40.44 C ATOM 505 C PRO A 34 10.977 -13.682 4.226 1.00 74.11 C ATOM 506 O PRO A 34 11.281 -14.194 3.149 1.00 13.22 O ATOM 507 CB PRO A 34 8.505 -13.383 4.546 1.00 63.24 C ATOM 508 CG PRO A 34 7.921 -13.540 3.184 1.00 10.22 C ATOM 509 CD PRO A 34 8.368 -12.337 2.401 1.00 52.51 C ATOM 0 HA PRO A 34 10.123 -11.997 5.126 1.00 40.44 H new ATOM 0 HB2 PRO A 34 8.650 -14.350 5.028 1.00 63.24 H new ATOM 0 HB3 PRO A 34 7.850 -12.799 5.193 1.00 63.24 H new ATOM 0 HG2 PRO A 34 8.266 -14.461 2.715 1.00 10.22 H new ATOM 0 HG3 PRO A 34 6.833 -13.594 3.230 1.00 10.22 H new ATOM 0 HD2 PRO A 34 8.518 -12.576 1.348 1.00 52.51 H new ATOM 0 HD3 PRO A 34 7.633 -11.534 2.444 1.00 52.51 H new ATOM 517 N GLY A 35 11.601 -13.968 5.364 1.00 4.54 N ATOM 518 CA GLY A 35 12.697 -14.918 5.391 1.00 65.30 C ATOM 519 C GLY A 35 14.048 -14.251 5.226 1.00 3.32 C ATOM 520 O GLY A 35 15.076 -14.807 5.616 1.00 71.14 O ATOM 0 H GLY A 35 11.367 -13.558 6.268 1.00 4.54 H new ATOM 0 HA2 GLY A 35 12.678 -15.463 6.335 1.00 65.30 H new ATOM 0 HA3 GLY A 35 12.558 -15.651 4.596 1.00 65.30 H new ATOM 524 N LEU A 36 14.049 -13.055 4.646 1.00 32.55 N ATOM 525 CA LEU A 36 15.284 -12.311 4.429 1.00 24.11 C ATOM 526 C LEU A 36 15.975 -12.004 5.754 1.00 44.02 C ATOM 527 O LEU A 36 17.203 -11.998 5.838 1.00 1.50 O ATOM 528 CB LEU A 36 14.994 -11.010 3.679 1.00 70.13 C ATOM 529 CG LEU A 36 16.121 -10.482 2.790 1.00 11.45 C ATOM 530 CD1 LEU A 36 17.339 -10.127 3.628 1.00 25.34 C ATOM 531 CD2 LEU A 36 16.484 -11.505 1.724 1.00 12.21 C ATOM 0 H LEU A 36 13.208 -12.580 4.318 1.00 32.55 H new ATOM 0 HA LEU A 36 15.950 -12.929 3.827 1.00 24.11 H new ATOM 0 HB2 LEU A 36 14.110 -11.161 3.060 1.00 70.13 H new ATOM 0 HB3 LEU A 36 14.744 -10.241 4.410 1.00 70.13 H new ATOM 0 HG LEU A 36 15.772 -9.578 2.292 1.00 11.45 H new ATOM 0 HD11 LEU A 36 18.131 -9.753 2.979 1.00 25.34 H new ATOM 0 HD12 LEU A 36 17.071 -9.358 4.353 1.00 25.34 H new ATOM 0 HD13 LEU A 36 17.690 -11.015 4.154 1.00 25.34 H new ATOM 0 HD21 LEU A 36 17.287 -11.112 1.101 1.00 12.21 H new ATOM 0 HD22 LEU A 36 16.814 -12.427 2.202 1.00 12.21 H new ATOM 0 HD23 LEU A 36 15.611 -11.710 1.104 1.00 12.21 H new ATOM 543 N ALA A 37 15.178 -11.752 6.787 1.00 51.13 N ATOM 544 CA ALA A 37 15.713 -11.449 8.108 1.00 14.43 C ATOM 545 C ALA A 37 16.587 -12.587 8.621 1.00 22.54 C ATOM 546 O ALA A 37 17.477 -12.376 9.444 1.00 3.32 O ATOM 547 CB ALA A 37 14.579 -11.170 9.085 1.00 45.43 C ATOM 0 H ALA A 37 14.159 -11.752 6.734 1.00 51.13 H new ATOM 0 HA ALA A 37 16.335 -10.558 8.025 1.00 14.43 H new ATOM 0 HB1 ALA A 37 14.993 -10.945 10.068 1.00 45.43 H new ATOM 0 HB2 ALA A 37 13.997 -10.319 8.733 1.00 45.43 H new ATOM 0 HB3 ALA A 37 13.935 -12.046 9.154 1.00 45.43 H new ATOM 553 N GLU A 38 16.327 -13.795 8.130 1.00 32.13 N ATOM 554 CA GLU A 38 17.090 -14.967 8.542 1.00 64.24 C ATOM 555 C GLU A 38 18.307 -15.167 7.643 1.00 44.52 C ATOM 556 O GLU A 38 18.975 -16.200 7.703 1.00 42.24 O ATOM 557 CB GLU A 38 16.207 -16.216 8.507 1.00 25.44 C ATOM 558 CG GLU A 38 15.013 -16.143 9.444 1.00 70.33 C ATOM 559 CD GLU A 38 15.403 -15.758 10.858 1.00 53.25 C ATOM 560 OE1 GLU A 38 16.164 -16.519 11.491 1.00 43.34 O ATOM 561 OE2 GLU A 38 14.946 -14.696 11.331 1.00 63.31 O ATOM 0 H GLU A 38 15.594 -13.987 7.447 1.00 32.13 H new ATOM 0 HA GLU A 38 17.436 -14.803 9.563 1.00 64.24 H new ATOM 0 HB2 GLU A 38 15.850 -16.370 7.489 1.00 25.44 H new ATOM 0 HB3 GLU A 38 16.811 -17.085 8.768 1.00 25.44 H new ATOM 0 HG2 GLU A 38 14.297 -15.417 9.058 1.00 70.33 H new ATOM 0 HG3 GLU A 38 14.509 -17.110 9.461 1.00 70.33 H new ATOM 568 N LEU A 39 18.590 -14.171 6.810 1.00 54.21 N ATOM 569 CA LEU A 39 19.726 -14.235 5.897 1.00 31.53 C ATOM 570 C LEU A 39 21.007 -13.781 6.590 1.00 52.15 C ATOM 571 O LEU A 39 22.014 -14.487 6.579 1.00 44.32 O ATOM 572 CB LEU A 39 19.464 -13.369 4.664 1.00 63.52 C ATOM 573 CG LEU A 39 20.402 -13.592 3.476 1.00 34.23 C ATOM 574 CD1 LEU A 39 20.397 -15.055 3.059 1.00 13.25 C ATOM 575 CD2 LEU A 39 20.004 -12.702 2.308 1.00 13.54 C ATOM 0 H LEU A 39 18.048 -13.309 6.748 1.00 54.21 H new ATOM 0 HA LEU A 39 19.852 -15.272 5.584 1.00 31.53 H new ATOM 0 HB2 LEU A 39 18.441 -13.545 4.332 1.00 63.52 H new ATOM 0 HB3 LEU A 39 19.527 -12.322 4.960 1.00 63.52 H new ATOM 0 HG LEU A 39 21.414 -13.326 3.782 1.00 34.23 H new ATOM 0 HD11 LEU A 39 21.070 -15.194 2.213 1.00 13.25 H new ATOM 0 HD12 LEU A 39 20.730 -15.672 3.893 1.00 13.25 H new ATOM 0 HD13 LEU A 39 19.387 -15.348 2.772 1.00 13.25 H new ATOM 0 HD21 LEU A 39 20.682 -12.874 1.472 1.00 13.54 H new ATOM 0 HD22 LEU A 39 18.984 -12.937 2.003 1.00 13.54 H new ATOM 0 HD23 LEU A 39 20.060 -11.657 2.612 1.00 13.54 H new ATOM 587 N GLY A 40 20.959 -12.597 7.193 1.00 24.12 N ATOM 588 CA GLY A 40 22.121 -12.070 7.884 1.00 5.40 C ATOM 589 C GLY A 40 22.165 -10.554 7.872 1.00 32.42 C ATOM 590 O GLY A 40 21.141 -9.896 8.055 1.00 62.25 O ATOM 0 H GLY A 40 20.137 -11.994 7.215 1.00 24.12 H new ATOM 0 HA2 GLY A 40 22.117 -12.422 8.916 1.00 5.40 H new ATOM 0 HA3 GLY A 40 23.025 -12.460 7.417 1.00 5.40 H new ATOM 594 N ALA A 41 23.353 -10.000 7.659 1.00 44.43 N ATOM 595 CA ALA A 41 23.526 -8.553 7.624 1.00 51.33 C ATOM 596 C ALA A 41 23.307 -8.008 6.216 1.00 4.33 C ATOM 597 O ALA A 41 22.269 -7.416 5.923 1.00 15.11 O ATOM 598 CB ALA A 41 24.910 -8.174 8.130 1.00 51.34 C ATOM 0 H ALA A 41 24.211 -10.531 7.508 1.00 44.43 H new ATOM 0 HA ALA A 41 22.778 -8.106 8.279 1.00 51.33 H new ATOM 0 HB1 ALA A 41 25.025 -7.091 8.098 1.00 51.34 H new ATOM 0 HB2 ALA A 41 25.030 -8.522 9.156 1.00 51.34 H new ATOM 0 HB3 ALA A 41 25.668 -8.638 7.499 1.00 51.34 H new ATOM 604 N VAL A 42 24.294 -8.210 5.348 1.00 33.54 N ATOM 605 CA VAL A 42 24.209 -7.740 3.971 1.00 10.42 C ATOM 606 C VAL A 42 23.803 -8.867 3.029 1.00 75.01 C ATOM 607 O VAL A 42 24.246 -10.007 3.179 1.00 55.40 O ATOM 608 CB VAL A 42 25.549 -7.147 3.497 1.00 24.21 C ATOM 609 CG1 VAL A 42 26.598 -8.240 3.361 1.00 61.54 C ATOM 610 CG2 VAL A 42 25.368 -6.404 2.182 1.00 33.22 C ATOM 0 H VAL A 42 25.162 -8.696 5.575 1.00 33.54 H new ATOM 0 HA VAL A 42 23.447 -6.961 3.949 1.00 10.42 H new ATOM 0 HB VAL A 42 25.896 -6.434 4.245 1.00 24.21 H new ATOM 0 HG11 VAL A 42 27.538 -7.802 3.025 1.00 61.54 H new ATOM 0 HG12 VAL A 42 26.747 -8.723 4.327 1.00 61.54 H new ATOM 0 HG13 VAL A 42 26.261 -8.979 2.634 1.00 61.54 H new ATOM 0 HG21 VAL A 42 26.325 -5.992 1.862 1.00 33.22 H new ATOM 0 HG22 VAL A 42 24.998 -7.093 1.423 1.00 33.22 H new ATOM 0 HG23 VAL A 42 24.651 -5.594 2.317 1.00 33.22 H new ATOM 620 N LEU A 43 22.957 -8.542 2.057 1.00 63.41 N ATOM 621 CA LEU A 43 22.490 -9.528 1.088 1.00 5.00 C ATOM 622 C LEU A 43 23.552 -9.792 0.025 1.00 22.13 C ATOM 623 O LEU A 43 24.386 -8.939 -0.280 1.00 55.14 O ATOM 624 CB LEU A 43 21.198 -9.048 0.426 1.00 73.44 C ATOM 625 CG LEU A 43 20.109 -8.539 1.370 1.00 14.31 C ATOM 626 CD1 LEU A 43 20.176 -7.025 1.495 1.00 1.50 C ATOM 627 CD2 LEU A 43 18.734 -8.975 0.884 1.00 42.21 C ATOM 0 H LEU A 43 22.581 -7.604 1.919 1.00 63.41 H new ATOM 0 HA LEU A 43 22.295 -10.460 1.619 1.00 5.00 H new ATOM 0 HB2 LEU A 43 21.447 -8.250 -0.273 1.00 73.44 H new ATOM 0 HB3 LEU A 43 20.787 -9.870 -0.161 1.00 73.44 H new ATOM 0 HG LEU A 43 20.278 -8.973 2.356 1.00 14.31 H new ATOM 0 HD11 LEU A 43 19.393 -6.681 2.171 1.00 1.50 H new ATOM 0 HD12 LEU A 43 21.150 -6.735 1.890 1.00 1.50 H new ATOM 0 HD13 LEU A 43 20.033 -6.572 0.514 1.00 1.50 H new ATOM 0 HD21 LEU A 43 17.971 -8.603 1.569 1.00 42.21 H new ATOM 0 HD22 LEU A 43 18.555 -8.571 -0.112 1.00 42.21 H new ATOM 0 HD23 LEU A 43 18.689 -10.063 0.847 1.00 42.21 H new ATOM 639 N PRO A 44 23.522 -11.002 -0.554 1.00 1.51 N ATOM 640 CA PRO A 44 24.473 -11.405 -1.594 1.00 23.23 C ATOM 641 C PRO A 44 24.247 -10.663 -2.906 1.00 41.22 C ATOM 642 O PRO A 44 23.158 -10.713 -3.480 1.00 4.44 O ATOM 643 CB PRO A 44 24.193 -12.900 -1.770 1.00 4.24 C ATOM 644 CG PRO A 44 22.780 -13.074 -1.334 1.00 34.34 C ATOM 645 CD PRO A 44 22.557 -12.068 -0.239 1.00 13.12 C ATOM 0 HA PRO A 44 25.502 -11.180 -1.314 1.00 23.23 H new ATOM 0 HB2 PRO A 44 24.328 -13.209 -2.807 1.00 4.24 H new ATOM 0 HB3 PRO A 44 24.871 -13.504 -1.166 1.00 4.24 H new ATOM 0 HG2 PRO A 44 22.092 -12.907 -2.163 1.00 34.34 H new ATOM 0 HG3 PRO A 44 22.605 -14.088 -0.974 1.00 34.34 H new ATOM 0 HD2 PRO A 44 21.533 -11.695 -0.238 1.00 13.12 H new ATOM 0 HD3 PRO A 44 22.741 -12.498 0.746 1.00 13.12 H new ATOM 653 N HIS A 45 25.282 -9.975 -3.378 1.00 1.33 N ATOM 654 CA HIS A 45 25.196 -9.222 -4.624 1.00 70.33 C ATOM 655 C HIS A 45 24.652 -10.097 -5.750 1.00 44.22 C ATOM 656 O HIS A 45 25.365 -10.939 -6.295 1.00 40.30 O ATOM 657 CB HIS A 45 26.570 -8.672 -5.008 1.00 53.13 C ATOM 658 CG HIS A 45 27.647 -9.712 -5.029 1.00 43.11 C ATOM 659 ND1 HIS A 45 28.088 -10.316 -6.188 1.00 31.04 N ATOM 660 CD2 HIS A 45 28.375 -10.253 -4.024 1.00 72.01 C ATOM 661 CE1 HIS A 45 29.039 -11.185 -5.894 1.00 74.12 C ATOM 662 NE2 HIS A 45 29.232 -11.166 -4.588 1.00 1.22 N ATOM 0 H HIS A 45 26.190 -9.924 -2.916 1.00 1.33 H new ATOM 0 HA HIS A 45 24.510 -8.389 -4.470 1.00 70.33 H new ATOM 0 HB2 HIS A 45 26.505 -8.209 -5.992 1.00 53.13 H new ATOM 0 HB3 HIS A 45 26.848 -7.887 -4.304 1.00 53.13 H new ATOM 0 HD2 HIS A 45 28.296 -10.012 -2.974 1.00 72.01 H new ATOM 0 HE1 HIS A 45 29.569 -11.805 -6.602 1.00 74.12 H new ATOM 0 HE2 HIS A 45 29.908 -11.737 -4.080 1.00 1.22 H new ATOM 670 N GLY A 46 23.384 -9.891 -6.093 1.00 62.42 N ATOM 671 CA GLY A 46 22.767 -10.669 -7.151 1.00 74.14 C ATOM 672 C GLY A 46 21.327 -11.029 -6.842 1.00 21.12 C ATOM 673 O GLY A 46 20.586 -11.471 -7.721 1.00 1.42 O ATOM 0 H GLY A 46 22.774 -9.200 -5.657 1.00 62.42 H new ATOM 0 HA2 GLY A 46 22.805 -10.104 -8.083 1.00 74.14 H new ATOM 0 HA3 GLY A 46 23.341 -11.582 -7.308 1.00 74.14 H new ATOM 677 N THR A 47 20.929 -10.842 -5.587 1.00 75.43 N ATOM 678 CA THR A 47 19.569 -11.153 -5.163 1.00 24.11 C ATOM 679 C THR A 47 18.649 -9.951 -5.342 1.00 21.11 C ATOM 680 O THR A 47 18.860 -8.900 -4.737 1.00 63.32 O ATOM 681 CB THR A 47 19.529 -11.601 -3.690 1.00 4.04 C ATOM 682 OG1 THR A 47 20.282 -12.808 -3.524 1.00 11.11 O ATOM 683 CG2 THR A 47 18.096 -11.824 -3.230 1.00 43.34 C ATOM 0 H THR A 47 21.529 -10.477 -4.847 1.00 75.43 H new ATOM 0 HA THR A 47 19.220 -11.971 -5.794 1.00 24.11 H new ATOM 0 HB THR A 47 19.970 -10.811 -3.082 1.00 4.04 H new ATOM 0 HG1 THR A 47 20.040 -13.230 -2.674 1.00 11.11 H new ATOM 0 HG21 THR A 47 18.094 -12.140 -2.187 1.00 43.34 H new ATOM 0 HG22 THR A 47 17.533 -10.896 -3.329 1.00 43.34 H new ATOM 0 HG23 THR A 47 17.633 -12.596 -3.844 1.00 43.34 H new ATOM 691 N ALA A 48 17.627 -10.113 -6.176 1.00 21.12 N ATOM 692 CA ALA A 48 16.673 -9.042 -6.432 1.00 12.51 C ATOM 693 C ALA A 48 15.728 -8.853 -5.250 1.00 24.35 C ATOM 694 O ALA A 48 15.348 -9.818 -4.586 1.00 40.01 O ATOM 695 CB ALA A 48 15.883 -9.330 -7.700 1.00 20.10 C ATOM 0 H ALA A 48 17.439 -10.976 -6.686 1.00 21.12 H new ATOM 0 HA ALA A 48 17.233 -8.117 -6.568 1.00 12.51 H new ATOM 0 HB1 ALA A 48 15.174 -8.521 -7.879 1.00 20.10 H new ATOM 0 HB2 ALA A 48 16.567 -9.406 -8.545 1.00 20.10 H new ATOM 0 HB3 ALA A 48 15.341 -10.269 -7.586 1.00 20.10 H new ATOM 701 N VAL A 49 15.354 -7.604 -4.990 1.00 73.54 N ATOM 702 CA VAL A 49 14.453 -7.290 -3.888 1.00 1.23 C ATOM 703 C VAL A 49 13.304 -6.403 -4.353 1.00 14.00 C ATOM 704 O VAL A 49 13.522 -5.358 -4.965 1.00 71.10 O ATOM 705 CB VAL A 49 15.198 -6.585 -2.738 1.00 70.14 C ATOM 706 CG1 VAL A 49 14.286 -6.421 -1.532 1.00 50.12 C ATOM 707 CG2 VAL A 49 16.455 -7.357 -2.366 1.00 34.21 C ATOM 0 H VAL A 49 15.661 -6.793 -5.528 1.00 73.54 H new ATOM 0 HA VAL A 49 14.053 -8.237 -3.526 1.00 1.23 H new ATOM 0 HB VAL A 49 15.496 -5.592 -3.075 1.00 70.14 H new ATOM 0 HG11 VAL A 49 14.829 -5.921 -0.730 1.00 50.12 H new ATOM 0 HG12 VAL A 49 13.419 -5.822 -1.810 1.00 50.12 H new ATOM 0 HG13 VAL A 49 13.955 -7.402 -1.190 1.00 50.12 H new ATOM 0 HG21 VAL A 49 16.969 -6.845 -1.552 1.00 34.21 H new ATOM 0 HG22 VAL A 49 16.183 -8.363 -2.047 1.00 34.21 H new ATOM 0 HG23 VAL A 49 17.115 -7.416 -3.231 1.00 34.21 H new ATOM 717 N GLU A 50 12.079 -6.827 -4.058 1.00 31.54 N ATOM 718 CA GLU A 50 10.895 -6.071 -4.447 1.00 15.05 C ATOM 719 C GLU A 50 10.722 -4.839 -3.563 1.00 52.43 C ATOM 720 O GLU A 50 10.991 -4.879 -2.362 1.00 1.00 O ATOM 721 CB GLU A 50 9.647 -6.953 -4.360 1.00 24.24 C ATOM 722 CG GLU A 50 8.347 -6.188 -4.538 1.00 71.01 C ATOM 723 CD GLU A 50 7.197 -7.082 -4.960 1.00 61.11 C ATOM 724 OE1 GLU A 50 6.596 -7.731 -4.078 1.00 42.30 O ATOM 725 OE2 GLU A 50 6.899 -7.134 -6.171 1.00 55.54 O ATOM 0 H GLU A 50 11.881 -7.690 -3.551 1.00 31.54 H new ATOM 0 HA GLU A 50 11.028 -5.743 -5.478 1.00 15.05 H new ATOM 0 HB2 GLU A 50 9.708 -7.731 -5.121 1.00 24.24 H new ATOM 0 HB3 GLU A 50 9.634 -7.455 -3.392 1.00 24.24 H new ATOM 0 HG2 GLU A 50 8.091 -5.691 -3.602 1.00 71.01 H new ATOM 0 HG3 GLU A 50 8.489 -5.407 -5.285 1.00 71.01 H new ATOM 732 N LEU A 51 10.272 -3.744 -4.167 1.00 34.23 N ATOM 733 CA LEU A 51 10.063 -2.499 -3.436 1.00 52.34 C ATOM 734 C LEU A 51 8.601 -2.068 -3.501 1.00 41.35 C ATOM 735 O LEU A 51 8.171 -1.385 -4.431 1.00 14.31 O ATOM 736 CB LEU A 51 10.957 -1.395 -4.004 1.00 65.51 C ATOM 737 CG LEU A 51 12.457 -1.548 -3.747 1.00 30.41 C ATOM 738 CD1 LEU A 51 13.258 -0.778 -4.785 1.00 70.21 C ATOM 739 CD2 LEU A 51 12.808 -1.078 -2.343 1.00 10.20 C ATOM 0 H LEU A 51 10.045 -3.693 -5.160 1.00 34.23 H new ATOM 0 HA LEU A 51 10.326 -2.671 -2.392 1.00 52.34 H new ATOM 0 HB2 LEU A 51 10.797 -1.343 -5.081 1.00 65.51 H new ATOM 0 HB3 LEU A 51 10.633 -0.442 -3.587 1.00 65.51 H new ATOM 0 HG LEU A 51 12.715 -2.604 -3.830 1.00 30.41 H new ATOM 0 HD11 LEU A 51 14.323 -0.899 -4.586 1.00 70.21 H new ATOM 0 HD12 LEU A 51 13.029 -1.162 -5.779 1.00 70.21 H new ATOM 0 HD13 LEU A 51 12.997 0.279 -4.735 1.00 70.21 H new ATOM 0 HD21 LEU A 51 13.879 -1.194 -2.178 1.00 10.20 H new ATOM 0 HD22 LEU A 51 12.535 -0.029 -2.232 1.00 10.20 H new ATOM 0 HD23 LEU A 51 12.261 -1.674 -1.612 1.00 10.20 H new ATOM 751 N PRO A 52 7.819 -2.473 -2.490 1.00 73.44 N ATOM 752 CA PRO A 52 6.394 -2.138 -2.408 1.00 71.44 C ATOM 753 C PRO A 52 6.162 -0.658 -2.124 1.00 32.53 C ATOM 754 O PRO A 52 7.047 0.032 -1.619 1.00 12.53 O ATOM 755 CB PRO A 52 5.895 -2.992 -1.240 1.00 24.31 C ATOM 756 CG PRO A 52 7.102 -3.223 -0.398 1.00 23.25 C ATOM 757 CD PRO A 52 8.265 -3.290 -1.349 1.00 52.10 C ATOM 0 HA PRO A 52 5.875 -2.332 -3.347 1.00 71.44 H new ATOM 0 HB2 PRO A 52 5.114 -2.479 -0.680 1.00 24.31 H new ATOM 0 HB3 PRO A 52 5.470 -3.933 -1.590 1.00 24.31 H new ATOM 0 HG2 PRO A 52 7.234 -2.417 0.324 1.00 23.25 H new ATOM 0 HG3 PRO A 52 7.010 -4.148 0.171 1.00 23.25 H new ATOM 0 HD2 PRO A 52 9.175 -2.891 -0.900 1.00 52.10 H new ATOM 0 HD3 PRO A 52 8.481 -4.316 -1.649 1.00 52.10 H new ATOM 765 N ASP A 53 4.967 -0.178 -2.450 1.00 60.41 N ATOM 766 CA ASP A 53 4.618 1.220 -2.228 1.00 1.02 C ATOM 767 C ASP A 53 5.577 2.144 -2.972 1.00 10.31 C ATOM 768 O ASP A 53 6.128 3.081 -2.393 1.00 21.51 O ATOM 769 CB ASP A 53 4.638 1.541 -0.733 1.00 14.24 C ATOM 770 CG ASP A 53 3.360 1.121 -0.033 1.00 71.43 C ATOM 771 OD1 ASP A 53 2.374 0.812 -0.735 1.00 23.32 O ATOM 772 OD2 ASP A 53 3.345 1.101 1.215 1.00 3.25 O ATOM 0 H ASP A 53 4.224 -0.737 -2.869 1.00 60.41 H new ATOM 0 HA ASP A 53 3.612 1.384 -2.614 1.00 1.02 H new ATOM 0 HB2 ASP A 53 5.486 1.038 -0.268 1.00 14.24 H new ATOM 0 HB3 ASP A 53 4.789 2.612 -0.596 1.00 14.24 H new ATOM 777 N VAL A 54 5.772 1.874 -4.259 1.00 4.14 N ATOM 778 CA VAL A 54 6.665 2.681 -5.082 1.00 53.13 C ATOM 779 C VAL A 54 5.963 3.157 -6.349 1.00 71.44 C ATOM 780 O VAL A 54 5.151 2.435 -6.928 1.00 42.24 O ATOM 781 CB VAL A 54 7.931 1.896 -5.474 1.00 33.04 C ATOM 782 CG1 VAL A 54 8.818 2.732 -6.383 1.00 3.33 C ATOM 783 CG2 VAL A 54 8.690 1.457 -4.231 1.00 30.42 C ATOM 0 H VAL A 54 5.324 1.103 -4.754 1.00 4.14 H new ATOM 0 HA VAL A 54 6.954 3.545 -4.483 1.00 53.13 H new ATOM 0 HB VAL A 54 7.630 1.004 -6.023 1.00 33.04 H new ATOM 0 HG11 VAL A 54 9.707 2.161 -6.649 1.00 3.33 H new ATOM 0 HG12 VAL A 54 8.269 2.992 -7.288 1.00 3.33 H new ATOM 0 HG13 VAL A 54 9.114 3.644 -5.864 1.00 3.33 H new ATOM 0 HG21 VAL A 54 9.582 0.904 -4.526 1.00 30.42 H new ATOM 0 HG22 VAL A 54 8.982 2.335 -3.654 1.00 30.42 H new ATOM 0 HG23 VAL A 54 8.051 0.818 -3.621 1.00 30.42 H new ATOM 793 N GLN A 55 6.282 4.375 -6.774 1.00 61.24 N ATOM 794 CA GLN A 55 5.682 4.947 -7.974 1.00 35.33 C ATOM 795 C GLN A 55 6.750 5.294 -9.005 1.00 0.41 C ATOM 796 O GLN A 55 7.776 5.890 -8.675 1.00 64.03 O ATOM 797 CB GLN A 55 4.873 6.196 -7.619 1.00 32.43 C ATOM 798 CG GLN A 55 3.602 5.897 -6.839 1.00 64.33 C ATOM 799 CD GLN A 55 2.555 5.193 -7.679 1.00 35.01 C ATOM 800 OE1 GLN A 55 2.822 4.778 -8.807 1.00 23.22 O ATOM 801 NE2 GLN A 55 1.352 5.055 -7.132 1.00 64.21 N ATOM 0 H GLN A 55 6.952 4.985 -6.306 1.00 61.24 H new ATOM 0 HA GLN A 55 5.015 4.201 -8.407 1.00 35.33 H new ATOM 0 HB2 GLN A 55 5.499 6.870 -7.033 1.00 32.43 H new ATOM 0 HB3 GLN A 55 4.611 6.722 -8.537 1.00 32.43 H new ATOM 0 HG2 GLN A 55 3.847 5.278 -5.976 1.00 64.33 H new ATOM 0 HG3 GLN A 55 3.188 6.829 -6.455 1.00 64.33 H new ATOM 0 HE21 GLN A 55 1.174 5.414 -6.194 1.00 64.21 H new ATOM 0 HE22 GLN A 55 0.606 4.590 -7.650 1.00 64.21 H new ATOM 810 N THR A 56 6.503 4.918 -10.256 1.00 10.41 N ATOM 811 CA THR A 56 7.444 5.189 -11.335 1.00 61.13 C ATOM 812 C THR A 56 6.716 5.601 -12.610 1.00 33.35 C ATOM 813 O THR A 56 5.487 5.561 -12.674 1.00 5.51 O ATOM 814 CB THR A 56 8.324 3.960 -11.635 1.00 12.44 C ATOM 815 OG1 THR A 56 9.373 4.318 -12.540 1.00 44.55 O ATOM 816 CG2 THR A 56 7.494 2.833 -12.231 1.00 45.44 C ATOM 0 H THR A 56 5.659 4.425 -10.547 1.00 10.41 H new ATOM 0 HA THR A 56 8.079 6.009 -11.001 1.00 61.13 H new ATOM 0 HB THR A 56 8.758 3.613 -10.697 1.00 12.44 H new ATOM 0 HG1 THR A 56 9.929 3.532 -12.724 1.00 44.55 H new ATOM 0 HG21 THR A 56 8.136 1.976 -12.434 1.00 45.44 H new ATOM 0 HG22 THR A 56 6.715 2.543 -11.526 1.00 45.44 H new ATOM 0 HG23 THR A 56 7.035 3.171 -13.160 1.00 45.44 H new ATOM 824 N ALA A 57 7.481 5.995 -13.622 1.00 21.00 N ATOM 825 CA ALA A 57 6.908 6.411 -14.896 1.00 10.42 C ATOM 826 C ALA A 57 5.938 5.363 -15.431 1.00 24.05 C ATOM 827 O ALA A 57 5.966 4.198 -15.034 1.00 70.43 O ATOM 828 CB ALA A 57 8.011 6.678 -15.909 1.00 4.11 C ATOM 0 H ALA A 57 8.500 6.035 -13.585 1.00 21.00 H new ATOM 0 HA ALA A 57 6.350 7.333 -14.731 1.00 10.42 H new ATOM 0 HB1 ALA A 57 7.568 6.988 -16.856 1.00 4.11 H new ATOM 0 HB2 ALA A 57 8.663 7.469 -15.537 1.00 4.11 H new ATOM 0 HB3 ALA A 57 8.593 5.769 -16.061 1.00 4.11 H new ATOM 834 N PRO A 58 5.059 5.784 -16.352 1.00 1.13 N ATOM 835 CA PRO A 58 4.064 4.896 -16.960 1.00 51.32 C ATOM 836 C PRO A 58 4.697 3.868 -17.892 1.00 14.40 C ATOM 837 O PRO A 58 5.270 4.220 -18.923 1.00 1.10 O ATOM 838 CB PRO A 58 3.169 5.855 -17.750 1.00 63.11 C ATOM 839 CG PRO A 58 4.039 7.028 -18.045 1.00 14.45 C ATOM 840 CD PRO A 58 4.969 7.159 -16.871 1.00 2.23 C ATOM 0 HA PRO A 58 3.529 4.310 -16.212 1.00 51.32 H new ATOM 0 HB2 PRO A 58 2.805 5.392 -18.667 1.00 63.11 H new ATOM 0 HB3 PRO A 58 2.293 6.147 -17.171 1.00 63.11 H new ATOM 0 HG2 PRO A 58 4.596 6.878 -18.970 1.00 14.45 H new ATOM 0 HG3 PRO A 58 3.444 7.932 -18.175 1.00 14.45 H new ATOM 0 HD2 PRO A 58 5.945 7.540 -17.172 1.00 2.23 H new ATOM 0 HD3 PRO A 58 4.576 7.846 -16.122 1.00 2.23 H new ATOM 848 N VAL A 59 4.588 2.596 -17.523 1.00 24.02 N ATOM 849 CA VAL A 59 5.149 1.516 -18.327 1.00 13.43 C ATOM 850 C VAL A 59 4.119 0.417 -18.565 1.00 44.41 C ATOM 851 O VAL A 59 3.184 0.249 -17.783 1.00 70.14 O ATOM 852 CB VAL A 59 6.392 0.903 -17.655 1.00 12.31 C ATOM 853 CG1 VAL A 59 7.516 1.925 -17.577 1.00 15.42 C ATOM 854 CG2 VAL A 59 6.043 0.375 -16.271 1.00 42.25 C ATOM 0 H VAL A 59 4.117 2.288 -16.673 1.00 24.02 H new ATOM 0 HA VAL A 59 5.440 1.951 -19.283 1.00 13.43 H new ATOM 0 HB VAL A 59 6.736 0.066 -18.262 1.00 12.31 H new ATOM 0 HG11 VAL A 59 8.386 1.474 -17.099 1.00 15.42 H new ATOM 0 HG12 VAL A 59 7.782 2.250 -18.583 1.00 15.42 H new ATOM 0 HG13 VAL A 59 7.186 2.784 -16.993 1.00 15.42 H new ATOM 0 HG21 VAL A 59 6.933 -0.055 -15.810 1.00 42.25 H new ATOM 0 HG22 VAL A 59 5.673 1.193 -15.652 1.00 42.25 H new ATOM 0 HG23 VAL A 59 5.273 -0.392 -16.358 1.00 42.25 H new ATOM 864 N ALA A 60 4.299 -0.329 -19.650 1.00 51.42 N ATOM 865 CA ALA A 60 3.387 -1.414 -19.991 1.00 1.33 C ATOM 866 C ALA A 60 3.194 -2.359 -18.810 1.00 32.10 C ATOM 867 O ALA A 60 4.146 -2.980 -18.339 1.00 11.25 O ATOM 868 CB ALA A 60 3.904 -2.177 -21.201 1.00 53.24 C ATOM 0 H ALA A 60 5.068 -0.202 -20.308 1.00 51.42 H new ATOM 0 HA ALA A 60 2.418 -0.979 -20.237 1.00 1.33 H new ATOM 0 HB1 ALA A 60 3.213 -2.984 -21.444 1.00 53.24 H new ATOM 0 HB2 ALA A 60 3.985 -1.500 -22.051 1.00 53.24 H new ATOM 0 HB3 ALA A 60 4.885 -2.595 -20.976 1.00 53.24 H new ATOM 874 N GLU A 61 1.956 -2.463 -18.337 1.00 53.41 N ATOM 875 CA GLU A 61 1.639 -3.332 -17.210 1.00 4.11 C ATOM 876 C GLU A 61 0.202 -3.836 -17.298 1.00 13.41 C ATOM 877 O GLU A 61 -0.510 -3.552 -18.262 1.00 73.40 O ATOM 878 CB GLU A 61 1.851 -2.589 -15.889 1.00 42.11 C ATOM 879 CG GLU A 61 0.930 -1.394 -15.709 1.00 2.05 C ATOM 880 CD GLU A 61 -0.443 -1.788 -15.201 1.00 14.41 C ATOM 881 OE1 GLU A 61 -0.519 -2.669 -14.319 1.00 72.13 O ATOM 882 OE2 GLU A 61 -1.442 -1.215 -15.685 1.00 21.13 O ATOM 0 H GLU A 61 1.156 -1.956 -18.717 1.00 53.41 H new ATOM 0 HA GLU A 61 2.309 -4.191 -17.247 1.00 4.11 H new ATOM 0 HB2 GLU A 61 1.698 -3.283 -15.063 1.00 42.11 H new ATOM 0 HB3 GLU A 61 2.886 -2.251 -15.834 1.00 42.11 H new ATOM 0 HG2 GLU A 61 1.384 -0.692 -15.010 1.00 2.05 H new ATOM 0 HG3 GLU A 61 0.826 -0.874 -16.661 1.00 2.05 H new ATOM 889 N THR A 62 -0.220 -4.585 -16.284 1.00 63.40 N ATOM 890 CA THR A 62 -1.571 -5.131 -16.246 1.00 43.45 C ATOM 891 C THR A 62 -2.069 -5.267 -14.812 1.00 51.33 C ATOM 892 O THR A 62 -1.276 -5.352 -13.874 1.00 72.04 O ATOM 893 CB THR A 62 -1.641 -6.507 -16.935 1.00 5.21 C ATOM 894 OG1 THR A 62 -0.723 -6.552 -18.033 1.00 70.24 O ATOM 895 CG2 THR A 62 -3.050 -6.792 -17.432 1.00 65.24 C ATOM 0 H THR A 62 0.355 -4.828 -15.477 1.00 63.40 H new ATOM 0 HA THR A 62 -2.210 -4.431 -16.784 1.00 43.45 H new ATOM 0 HB THR A 62 -1.370 -7.269 -16.205 1.00 5.21 H new ATOM 0 HG1 THR A 62 -0.772 -7.430 -18.465 1.00 70.24 H new ATOM 0 HG21 THR A 62 -3.075 -7.769 -17.915 1.00 65.24 H new ATOM 0 HG22 THR A 62 -3.741 -6.786 -16.589 1.00 65.24 H new ATOM 0 HG23 THR A 62 -3.345 -6.025 -18.149 1.00 65.24 H new ATOM 903 N VAL A 63 -3.388 -5.287 -14.648 1.00 71.04 N ATOM 904 CA VAL A 63 -3.992 -5.415 -13.328 1.00 14.33 C ATOM 905 C VAL A 63 -5.412 -5.962 -13.424 1.00 12.34 C ATOM 906 O VAL A 63 -6.177 -5.580 -14.308 1.00 42.33 O ATOM 907 CB VAL A 63 -4.024 -4.062 -12.592 1.00 23.14 C ATOM 908 CG1 VAL A 63 -4.862 -3.054 -13.363 1.00 3.34 C ATOM 909 CG2 VAL A 63 -4.555 -4.238 -11.177 1.00 25.21 C ATOM 0 H VAL A 63 -4.058 -5.216 -15.413 1.00 71.04 H new ATOM 0 HA VAL A 63 -3.374 -6.113 -12.764 1.00 14.33 H new ATOM 0 HB VAL A 63 -3.006 -3.679 -12.529 1.00 23.14 H new ATOM 0 HG11 VAL A 63 -4.873 -2.105 -12.828 1.00 3.34 H new ATOM 0 HG12 VAL A 63 -4.433 -2.907 -14.354 1.00 3.34 H new ATOM 0 HG13 VAL A 63 -5.881 -3.427 -13.460 1.00 3.34 H new ATOM 0 HG21 VAL A 63 -4.571 -3.272 -10.672 1.00 25.21 H new ATOM 0 HG22 VAL A 63 -5.566 -4.644 -11.216 1.00 25.21 H new ATOM 0 HG23 VAL A 63 -3.909 -4.924 -10.629 1.00 25.21 H new ATOM 919 N ASN A 64 -5.758 -6.859 -12.506 1.00 11.31 N ATOM 920 CA ASN A 64 -7.087 -7.459 -12.487 1.00 31.13 C ATOM 921 C ASN A 64 -8.055 -6.612 -11.667 1.00 12.42 C ATOM 922 O ASN A 64 -7.642 -5.713 -10.932 1.00 73.21 O ATOM 923 CB ASN A 64 -7.021 -8.876 -11.914 1.00 31.32 C ATOM 924 CG ASN A 64 -6.240 -8.939 -10.615 1.00 61.15 C ATOM 925 OD1 ASN A 64 -6.681 -8.427 -9.587 1.00 15.41 O ATOM 926 ND2 ASN A 64 -5.072 -9.570 -10.658 1.00 1.31 N ATOM 0 H ASN A 64 -5.137 -7.186 -11.766 1.00 11.31 H new ATOM 0 HA ASN A 64 -7.452 -7.505 -13.513 1.00 31.13 H new ATOM 0 HB2 ASN A 64 -8.033 -9.244 -11.744 1.00 31.32 H new ATOM 0 HB3 ASN A 64 -6.559 -9.539 -12.645 1.00 31.32 H new ATOM 0 HD21 ASN A 64 -4.501 -9.645 -9.816 1.00 1.31 H new ATOM 0 HD22 ASN A 64 -4.746 -9.980 -11.533 1.00 1.31 H new ATOM 933 N LEU A 65 -9.345 -6.904 -11.797 1.00 5.32 N ATOM 934 CA LEU A 65 -10.373 -6.169 -11.067 1.00 63.45 C ATOM 935 C LEU A 65 -11.545 -7.079 -10.716 1.00 35.12 C ATOM 936 O LEU A 65 -12.287 -7.519 -11.594 1.00 54.01 O ATOM 937 CB LEU A 65 -10.864 -4.982 -11.897 1.00 14.11 C ATOM 938 CG LEU A 65 -10.020 -3.710 -11.814 1.00 0.20 C ATOM 939 CD1 LEU A 65 -10.533 -2.664 -12.792 1.00 64.10 C ATOM 940 CD2 LEU A 65 -10.021 -3.161 -10.395 1.00 4.13 C ATOM 0 H LEU A 65 -9.704 -7.644 -12.401 1.00 5.32 H new ATOM 0 HA LEU A 65 -9.934 -5.799 -10.140 1.00 63.45 H new ATOM 0 HB2 LEU A 65 -10.917 -5.291 -12.941 1.00 14.11 H new ATOM 0 HB3 LEU A 65 -11.880 -4.741 -11.584 1.00 14.11 H new ATOM 0 HG LEU A 65 -8.994 -3.959 -12.085 1.00 0.20 H new ATOM 0 HD11 LEU A 65 -9.920 -1.766 -12.719 1.00 64.10 H new ATOM 0 HD12 LEU A 65 -10.480 -3.058 -13.807 1.00 64.10 H new ATOM 0 HD13 LEU A 65 -11.567 -2.418 -12.552 1.00 64.10 H new ATOM 0 HD21 LEU A 65 -9.415 -2.256 -10.355 1.00 4.13 H new ATOM 0 HD22 LEU A 65 -11.043 -2.928 -10.096 1.00 4.13 H new ATOM 0 HD23 LEU A 65 -9.606 -3.906 -9.716 1.00 4.13 H new ATOM 952 N TRP A 66 -11.707 -7.355 -9.427 1.00 15.21 N ATOM 953 CA TRP A 66 -12.792 -8.210 -8.959 1.00 30.41 C ATOM 954 C TRP A 66 -14.146 -7.551 -9.195 1.00 73.13 C ATOM 955 O TRP A 66 -14.499 -6.581 -8.526 1.00 3.32 O ATOM 956 CB TRP A 66 -12.616 -8.524 -7.472 1.00 73.43 C ATOM 957 CG TRP A 66 -11.444 -9.414 -7.188 1.00 33.24 C ATOM 958 CD1 TRP A 66 -10.989 -10.442 -7.962 1.00 63.53 C ATOM 959 CD2 TRP A 66 -10.581 -9.355 -6.047 1.00 21.50 C ATOM 960 NE1 TRP A 66 -9.894 -11.027 -7.372 1.00 11.41 N ATOM 961 CE2 TRP A 66 -9.623 -10.378 -6.196 1.00 52.45 C ATOM 962 CE3 TRP A 66 -10.522 -8.538 -4.915 1.00 52.12 C ATOM 963 CZ2 TRP A 66 -8.622 -10.602 -5.256 1.00 23.13 C ATOM 964 CZ3 TRP A 66 -9.528 -8.762 -3.982 1.00 62.33 C ATOM 965 CH2 TRP A 66 -8.588 -9.787 -4.157 1.00 50.22 C ATOM 0 H TRP A 66 -11.101 -6.999 -8.687 1.00 15.21 H new ATOM 0 HA TRP A 66 -12.758 -9.140 -9.526 1.00 30.41 H new ATOM 0 HB2 TRP A 66 -12.496 -7.590 -6.923 1.00 73.43 H new ATOM 0 HB3 TRP A 66 -13.523 -8.999 -7.098 1.00 73.43 H new ATOM 0 HD1 TRP A 66 -11.425 -10.751 -8.900 1.00 63.53 H new ATOM 0 HE1 TRP A 66 -9.369 -11.816 -7.748 1.00 11.41 H new ATOM 0 HE3 TRP A 66 -11.241 -7.745 -4.772 1.00 52.12 H new ATOM 0 HZ2 TRP A 66 -7.897 -11.391 -5.389 1.00 23.13 H new ATOM 0 HZ3 TRP A 66 -9.474 -8.137 -3.103 1.00 62.33 H new ATOM 0 HH2 TRP A 66 -7.822 -9.936 -3.410 1.00 50.22 H new ATOM 976 N GLU A 67 -14.901 -8.084 -10.151 1.00 62.41 N ATOM 977 CA GLU A 67 -16.216 -7.546 -10.475 1.00 15.53 C ATOM 978 C GLU A 67 -17.314 -8.550 -10.136 1.00 72.11 C ATOM 979 O GLU A 67 -18.358 -8.589 -10.788 1.00 20.33 O ATOM 980 CB GLU A 67 -16.289 -7.174 -11.957 1.00 75.23 C ATOM 981 CG GLU A 67 -15.477 -5.942 -12.317 1.00 4.21 C ATOM 982 CD GLU A 67 -15.500 -5.641 -13.803 1.00 3.11 C ATOM 983 OE1 GLU A 67 -14.665 -6.209 -14.537 1.00 22.40 O ATOM 984 OE2 GLU A 67 -16.354 -4.836 -14.231 1.00 64.54 O ATOM 0 H GLU A 67 -14.624 -8.888 -10.714 1.00 62.41 H new ATOM 0 HA GLU A 67 -16.371 -6.649 -9.875 1.00 15.53 H new ATOM 0 HB2 GLU A 67 -15.937 -8.017 -12.552 1.00 75.23 H new ATOM 0 HB3 GLU A 67 -17.331 -7.004 -12.229 1.00 75.23 H new ATOM 0 HG2 GLU A 67 -15.866 -5.083 -11.770 1.00 4.21 H new ATOM 0 HG3 GLU A 67 -14.445 -6.085 -11.995 1.00 4.21 H new ATOM 991 N VAL A 68 -17.070 -9.362 -9.112 1.00 50.22 N ATOM 992 CA VAL A 68 -18.037 -10.366 -8.686 1.00 23.54 C ATOM 993 C VAL A 68 -18.598 -10.039 -7.307 1.00 3.35 C ATOM 994 O VAL A 68 -17.948 -10.278 -6.289 1.00 52.41 O ATOM 995 CB VAL A 68 -17.407 -11.772 -8.651 1.00 54.20 C ATOM 996 CG1 VAL A 68 -16.088 -11.748 -7.895 1.00 44.41 C ATOM 997 CG2 VAL A 68 -18.370 -12.771 -8.027 1.00 71.15 C ATOM 0 H VAL A 68 -16.211 -9.344 -8.562 1.00 50.22 H new ATOM 0 HA VAL A 68 -18.846 -10.356 -9.416 1.00 23.54 H new ATOM 0 HB VAL A 68 -17.205 -12.086 -9.675 1.00 54.20 H new ATOM 0 HG11 VAL A 68 -15.658 -12.750 -7.881 1.00 44.41 H new ATOM 0 HG12 VAL A 68 -15.398 -11.064 -8.389 1.00 44.41 H new ATOM 0 HG13 VAL A 68 -16.261 -11.413 -6.872 1.00 44.41 H new ATOM 0 HG21 VAL A 68 -17.909 -13.759 -8.010 1.00 71.15 H new ATOM 0 HG22 VAL A 68 -18.605 -12.463 -7.008 1.00 71.15 H new ATOM 0 HG23 VAL A 68 -19.287 -12.808 -8.615 1.00 71.15 H new ATOM 1007 N GLU A 69 -19.809 -9.490 -7.281 1.00 64.51 N ATOM 1008 CA GLU A 69 -20.457 -9.130 -6.026 1.00 2.42 C ATOM 1009 C GLU A 69 -21.890 -8.664 -6.268 1.00 3.33 C ATOM 1010 O GLU A 69 -22.144 -7.822 -7.130 1.00 45.10 O ATOM 1011 CB GLU A 69 -19.665 -8.031 -5.315 1.00 3.44 C ATOM 1012 CG GLU A 69 -19.817 -8.051 -3.803 1.00 34.40 C ATOM 1013 CD GLU A 69 -19.380 -6.752 -3.155 1.00 34.25 C ATOM 1014 OE1 GLU A 69 -19.118 -5.780 -3.893 1.00 61.14 O ATOM 1015 OE2 GLU A 69 -19.301 -6.707 -1.909 1.00 64.42 O ATOM 0 H GLU A 69 -20.360 -9.285 -8.114 1.00 64.51 H new ATOM 0 HA GLU A 69 -20.484 -10.017 -5.393 1.00 2.42 H new ATOM 0 HB2 GLU A 69 -18.610 -8.135 -5.567 1.00 3.44 H new ATOM 0 HB3 GLU A 69 -19.989 -7.061 -5.691 1.00 3.44 H new ATOM 0 HG2 GLU A 69 -20.859 -8.247 -3.549 1.00 34.40 H new ATOM 0 HG3 GLU A 69 -19.229 -8.873 -3.393 1.00 34.40 H new ATOM 1022 N HIS A 70 -22.823 -9.218 -5.501 1.00 14.44 N ATOM 1023 CA HIS A 70 -24.231 -8.859 -5.631 1.00 33.42 C ATOM 1024 C HIS A 70 -24.739 -8.183 -4.361 1.00 54.12 C ATOM 1025 O HIS A 70 -25.624 -7.328 -4.413 1.00 0.44 O ATOM 1026 CB HIS A 70 -25.070 -10.102 -5.931 1.00 62.21 C ATOM 1027 CG HIS A 70 -24.934 -11.180 -4.900 1.00 12.33 C ATOM 1028 ND1 HIS A 70 -25.872 -11.399 -3.913 1.00 22.03 N ATOM 1029 CD2 HIS A 70 -23.964 -12.103 -4.707 1.00 23.34 C ATOM 1030 CE1 HIS A 70 -25.483 -12.410 -3.156 1.00 0.31 C ATOM 1031 NE2 HIS A 70 -24.328 -12.855 -3.617 1.00 32.21 N ATOM 0 H HIS A 70 -22.630 -9.917 -4.783 1.00 14.44 H new ATOM 0 HA HIS A 70 -24.326 -8.156 -6.459 1.00 33.42 H new ATOM 0 HB2 HIS A 70 -26.118 -9.813 -6.006 1.00 62.21 H new ATOM 0 HB3 HIS A 70 -24.779 -10.501 -6.903 1.00 62.21 H new ATOM 0 HD2 HIS A 70 -23.070 -12.226 -5.300 1.00 23.34 H new ATOM 0 HE1 HIS A 70 -26.018 -12.805 -2.305 1.00 0.31 H new ATOM 0 HE2 HIS A 70 -23.793 -13.631 -3.227 1.00 32.21 H new ATOM 1039 N HIS A 71 -24.175 -8.572 -3.222 1.00 60.24 N ATOM 1040 CA HIS A 71 -24.571 -8.003 -1.939 1.00 72.22 C ATOM 1041 C HIS A 71 -23.693 -6.808 -1.580 1.00 73.04 C ATOM 1042 O HIS A 71 -24.185 -5.690 -1.421 1.00 70.31 O ATOM 1043 CB HIS A 71 -24.485 -9.062 -0.840 1.00 34.14 C ATOM 1044 CG HIS A 71 -25.396 -8.797 0.320 1.00 44.31 C ATOM 1045 ND1 HIS A 71 -25.055 -9.082 1.625 1.00 23.41 N ATOM 1046 CD2 HIS A 71 -26.640 -8.267 0.365 1.00 14.10 C ATOM 1047 CE1 HIS A 71 -26.051 -8.741 2.423 1.00 60.43 C ATOM 1048 NE2 HIS A 71 -27.025 -8.244 1.683 1.00 54.50 N ATOM 0 H HIS A 71 -23.442 -9.279 -3.161 1.00 60.24 H new ATOM 0 HA HIS A 71 -25.602 -7.661 -2.024 1.00 72.22 H new ATOM 0 HB2 HIS A 71 -24.726 -10.036 -1.266 1.00 34.14 H new ATOM 0 HB3 HIS A 71 -23.458 -9.117 -0.480 1.00 34.14 H new ATOM 0 HD2 HIS A 71 -27.222 -7.926 -0.478 1.00 14.10 H new ATOM 0 HE1 HIS A 71 -26.066 -8.850 3.497 1.00 60.43 H new ATOM 0 HE2 HIS A 71 -27.919 -7.899 2.033 1.00 54.50 H new TER 1056 HIS A 71