USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 Set 1.1: A 1 MET CE :methyl -159:sc=-0.00642 (180deg=0) USER MOD Set 1.2: A 18 TYR OH : rot 30:sc=-0.00334 USER MOD Single : A 1 MET N :NH3+ -149:sc= 0 (180deg=-0.916) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 91:sc= -0.258 USER MOD Single : A 19 TYR OH : rot -59:sc= 0.686 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00346 USER MOD Single : A 33 ASN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.623 X(o=-0.62,f=-0.24) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.823 USER MOD Single : A 55 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -37:sc= -0.0354! USER MOD Single : A 64 ASN : amide:sc= -0.977 X(o=-0.98,f=-0.59) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.856 -1.740 -0.975 1.00 32.44 N ATOM 2 CA MET A 1 1.380 -2.622 -2.012 1.00 14.34 C ATOM 3 C MET A 1 2.528 -3.470 -1.475 1.00 31.43 C ATOM 4 O MET A 1 3.699 -3.153 -1.684 1.00 51.02 O ATOM 5 CB MET A 1 1.854 -1.804 -3.214 1.00 54.25 C ATOM 6 CG MET A 1 2.347 -2.656 -4.372 1.00 64.03 C ATOM 7 SD MET A 1 1.007 -3.233 -5.431 1.00 51.13 S ATOM 8 CE MET A 1 1.373 -4.984 -5.517 1.00 31.21 C ATOM 0 H1 MET A 1 -0.159 -1.581 -1.135 1.00 32.44 H new ATOM 0 H2 MET A 1 0.995 -2.179 -0.043 1.00 32.44 H new ATOM 0 H3 MET A 1 1.358 -0.830 -1.007 1.00 32.44 H new ATOM 0 HA MET A 1 0.577 -3.288 -2.328 1.00 14.34 H new ATOM 0 HB2 MET A 1 1.035 -1.174 -3.560 1.00 54.25 H new ATOM 0 HB3 MET A 1 2.656 -1.138 -2.896 1.00 54.25 H new ATOM 0 HG2 MET A 1 3.053 -2.078 -4.968 1.00 64.03 H new ATOM 0 HG3 MET A 1 2.890 -3.516 -3.980 1.00 64.03 H new ATOM 0 HE1 MET A 1 0.893 -5.413 -6.397 1.00 31.21 H new ATOM 0 HE2 MET A 1 2.451 -5.127 -5.586 1.00 31.21 H new ATOM 0 HE3 MET A 1 0.998 -5.479 -4.621 1.00 31.21 H new ATOM 18 N LYS A 2 2.185 -4.551 -0.781 1.00 43.42 N ATOM 19 CA LYS A 2 3.187 -5.446 -0.215 1.00 32.24 C ATOM 20 C LYS A 2 3.095 -6.833 -0.844 1.00 11.34 C ATOM 21 O LYS A 2 2.012 -7.288 -1.213 1.00 31.54 O ATOM 22 CB LYS A 2 3.009 -5.550 1.302 1.00 52.42 C ATOM 23 CG LYS A 2 1.681 -6.159 1.718 1.00 25.42 C ATOM 24 CD LYS A 2 1.247 -5.666 3.088 1.00 33.52 C ATOM 25 CE LYS A 2 0.018 -6.413 3.585 1.00 51.41 C ATOM 26 NZ LYS A 2 -0.401 -5.953 4.938 1.00 50.31 N ATOM 0 H LYS A 2 1.221 -4.828 -0.597 1.00 43.42 H new ATOM 0 HA LYS A 2 4.172 -5.032 -0.432 1.00 32.24 H new ATOM 0 HB2 LYS A 2 3.820 -6.151 1.714 1.00 52.42 H new ATOM 0 HB3 LYS A 2 3.096 -4.555 1.739 1.00 52.42 H new ATOM 0 HG2 LYS A 2 0.918 -5.908 0.981 1.00 25.42 H new ATOM 0 HG3 LYS A 2 1.766 -7.246 1.731 1.00 25.42 H new ATOM 0 HD2 LYS A 2 2.064 -5.794 3.798 1.00 33.52 H new ATOM 0 HD3 LYS A 2 1.031 -4.599 3.040 1.00 33.52 H new ATOM 0 HE2 LYS A 2 -0.803 -6.270 2.882 1.00 51.41 H new ATOM 0 HE3 LYS A 2 0.230 -7.482 3.614 1.00 51.41 H new ATOM 0 HZ1 LYS A 2 -1.241 -6.486 5.241 1.00 50.31 H new ATOM 0 HZ2 LYS A 2 0.373 -6.113 5.614 1.00 50.31 H new ATOM 0 HZ3 LYS A 2 -0.628 -4.939 4.905 1.00 50.31 H new ATOM 40 N THR A 3 4.238 -7.501 -0.962 1.00 42.12 N ATOM 41 CA THR A 3 4.286 -8.835 -1.546 1.00 25.40 C ATOM 42 C THR A 3 5.234 -9.742 -0.769 1.00 2.44 C ATOM 43 O THR A 3 6.070 -9.268 0.001 1.00 20.14 O ATOM 44 CB THR A 3 4.733 -8.788 -3.020 1.00 33.25 C ATOM 45 OG1 THR A 3 4.782 -10.114 -3.559 1.00 55.43 O ATOM 46 CG2 THR A 3 6.098 -8.131 -3.151 1.00 24.25 C ATOM 0 H THR A 3 5.143 -7.140 -0.661 1.00 42.12 H new ATOM 0 HA THR A 3 3.275 -9.239 -1.493 1.00 25.40 H new ATOM 0 HB THR A 3 4.008 -8.196 -3.578 1.00 33.25 H new ATOM 0 HG1 THR A 3 5.065 -10.076 -4.496 1.00 55.43 H new ATOM 0 HG21 THR A 3 6.392 -8.109 -4.200 1.00 24.25 H new ATOM 0 HG22 THR A 3 6.050 -7.112 -2.767 1.00 24.25 H new ATOM 0 HG23 THR A 3 6.832 -8.700 -2.580 1.00 24.25 H new ATOM 54 N PHE A 4 5.099 -11.047 -0.975 1.00 65.44 N ATOM 55 CA PHE A 4 5.944 -12.021 -0.293 1.00 44.31 C ATOM 56 C PHE A 4 7.337 -12.063 -0.916 1.00 11.04 C ATOM 57 O PHE A 4 7.481 -12.151 -2.135 1.00 1.45 O ATOM 58 CB PHE A 4 5.306 -13.410 -0.349 1.00 70.12 C ATOM 59 CG PHE A 4 3.842 -13.411 -0.014 1.00 30.15 C ATOM 60 CD1 PHE A 4 3.388 -12.846 1.167 1.00 0.41 C ATOM 61 CD2 PHE A 4 2.920 -13.978 -0.878 1.00 72.14 C ATOM 62 CE1 PHE A 4 2.041 -12.844 1.479 1.00 64.51 C ATOM 63 CE2 PHE A 4 1.572 -13.980 -0.572 1.00 41.52 C ATOM 64 CZ PHE A 4 1.132 -13.413 0.608 1.00 25.25 C ATOM 0 H PHE A 4 4.412 -11.455 -1.609 1.00 65.44 H new ATOM 0 HA PHE A 4 6.040 -11.715 0.749 1.00 44.31 H new ATOM 0 HB2 PHE A 4 5.442 -13.824 -1.348 1.00 70.12 H new ATOM 0 HB3 PHE A 4 5.829 -14.070 0.343 1.00 70.12 H new ATOM 0 HD1 PHE A 4 4.095 -12.402 1.852 1.00 0.41 H new ATOM 0 HD2 PHE A 4 3.258 -14.424 -1.802 1.00 72.14 H new ATOM 0 HE1 PHE A 4 1.700 -12.398 2.402 1.00 64.51 H new ATOM 0 HE2 PHE A 4 0.863 -14.425 -1.255 1.00 41.52 H new ATOM 0 HZ PHE A 4 0.079 -13.414 0.849 1.00 25.25 H new ATOM 74 N ALA A 5 8.359 -11.999 -0.069 1.00 22.43 N ATOM 75 CA ALA A 5 9.740 -12.032 -0.534 1.00 41.24 C ATOM 76 C ALA A 5 10.253 -13.465 -0.633 1.00 13.51 C ATOM 77 O ALA A 5 10.434 -14.141 0.380 1.00 4.03 O ATOM 78 CB ALA A 5 10.628 -11.214 0.391 1.00 5.22 C ATOM 0 H ALA A 5 8.256 -11.924 0.943 1.00 22.43 H new ATOM 0 HA ALA A 5 9.772 -11.594 -1.531 1.00 41.24 H new ATOM 0 HB1 ALA A 5 11.656 -11.248 0.032 1.00 5.22 H new ATOM 0 HB2 ALA A 5 10.283 -10.180 0.407 1.00 5.22 H new ATOM 0 HB3 ALA A 5 10.582 -11.627 1.399 1.00 5.22 H new ATOM 84 N LEU A 6 10.484 -13.922 -1.858 1.00 74.25 N ATOM 85 CA LEU A 6 10.975 -15.276 -2.090 1.00 21.14 C ATOM 86 C LEU A 6 12.441 -15.259 -2.511 1.00 1.25 C ATOM 87 O LEU A 6 13.074 -14.204 -2.543 1.00 24.14 O ATOM 88 CB LEU A 6 10.133 -15.969 -3.162 1.00 31.40 C ATOM 89 CG LEU A 6 8.634 -15.669 -3.137 1.00 11.33 C ATOM 90 CD1 LEU A 6 7.952 -16.251 -4.365 1.00 32.12 C ATOM 91 CD2 LEU A 6 8.002 -16.214 -1.864 1.00 70.13 C ATOM 0 H LEU A 6 10.339 -13.375 -2.707 1.00 74.25 H new ATOM 0 HA LEU A 6 10.891 -15.831 -1.156 1.00 21.14 H new ATOM 0 HB2 LEU A 6 10.523 -15.687 -4.140 1.00 31.40 H new ATOM 0 HB3 LEU A 6 10.269 -17.046 -3.062 1.00 31.40 H new ATOM 0 HG LEU A 6 8.499 -14.587 -3.151 1.00 11.33 H new ATOM 0 HD11 LEU A 6 6.886 -16.027 -4.329 1.00 32.12 H new ATOM 0 HD12 LEU A 6 8.385 -15.812 -5.264 1.00 32.12 H new ATOM 0 HD13 LEU A 6 8.096 -17.331 -4.383 1.00 32.12 H new ATOM 0 HD21 LEU A 6 6.935 -15.991 -1.863 1.00 70.13 H new ATOM 0 HD22 LEU A 6 8.147 -17.293 -1.819 1.00 70.13 H new ATOM 0 HD23 LEU A 6 8.470 -15.748 -0.997 1.00 70.13 H new ATOM 103 N GLN A 7 12.972 -16.433 -2.834 1.00 64.31 N ATOM 104 CA GLN A 7 14.364 -16.552 -3.255 1.00 15.03 C ATOM 105 C GLN A 7 14.679 -15.568 -4.376 1.00 50.22 C ATOM 106 O GLN A 7 14.030 -15.574 -5.422 1.00 5.23 O ATOM 107 CB GLN A 7 14.659 -17.980 -3.715 1.00 71.45 C ATOM 108 CG GLN A 7 16.138 -18.256 -3.933 1.00 0.20 C ATOM 109 CD GLN A 7 16.483 -19.726 -3.804 1.00 71.43 C ATOM 110 OE1 GLN A 7 16.719 -20.410 -4.801 1.00 5.12 O ATOM 111 NE2 GLN A 7 16.514 -20.222 -2.573 1.00 35.03 N ATOM 0 H GLN A 7 12.461 -17.315 -2.813 1.00 64.31 H new ATOM 0 HA GLN A 7 14.998 -16.315 -2.400 1.00 15.03 H new ATOM 0 HB2 GLN A 7 14.273 -18.679 -2.973 1.00 71.45 H new ATOM 0 HB3 GLN A 7 14.121 -18.172 -4.644 1.00 71.45 H new ATOM 0 HG2 GLN A 7 16.427 -17.905 -4.924 1.00 0.20 H new ATOM 0 HG3 GLN A 7 16.721 -17.685 -3.210 1.00 0.20 H new ATOM 0 HE21 GLN A 7 16.312 -19.619 -1.775 1.00 35.03 H new ATOM 0 HE22 GLN A 7 16.740 -21.206 -2.425 1.00 35.03 H new ATOM 120 N GLY A 8 15.680 -14.722 -4.151 1.00 20.11 N ATOM 121 CA GLY A 8 16.064 -13.743 -5.151 1.00 74.23 C ATOM 122 C GLY A 8 14.997 -12.688 -5.369 1.00 22.21 C ATOM 123 O GLY A 8 14.984 -12.012 -6.398 1.00 21.14 O ATOM 0 H GLY A 8 16.232 -14.697 -3.294 1.00 20.11 H new ATOM 0 HA2 GLY A 8 16.991 -13.259 -4.844 1.00 74.23 H new ATOM 0 HA3 GLY A 8 16.266 -14.251 -6.094 1.00 74.23 H new ATOM 127 N ASP A 9 14.100 -12.548 -4.400 1.00 13.14 N ATOM 128 CA ASP A 9 13.024 -11.568 -4.490 1.00 55.10 C ATOM 129 C ASP A 9 13.014 -10.657 -3.266 1.00 72.04 C ATOM 130 O ASP A 9 11.982 -10.087 -2.911 1.00 52.41 O ATOM 131 CB ASP A 9 11.673 -12.273 -4.627 1.00 42.02 C ATOM 132 CG ASP A 9 11.386 -12.702 -6.053 1.00 22.03 C ATOM 133 OD1 ASP A 9 12.353 -12.911 -6.815 1.00 32.32 O ATOM 134 OD2 ASP A 9 10.195 -12.828 -6.406 1.00 51.34 O ATOM 0 H ASP A 9 14.096 -13.101 -3.543 1.00 13.14 H new ATOM 0 HA ASP A 9 13.197 -10.956 -5.375 1.00 55.10 H new ATOM 0 HB2 ASP A 9 11.655 -13.148 -3.977 1.00 42.02 H new ATOM 0 HB3 ASP A 9 10.882 -11.606 -4.285 1.00 42.02 H new ATOM 139 N THR A 10 14.170 -10.525 -2.624 1.00 21.23 N ATOM 140 CA THR A 10 14.295 -9.686 -1.439 1.00 14.03 C ATOM 141 C THR A 10 14.232 -8.207 -1.803 1.00 73.12 C ATOM 142 O THR A 10 14.101 -7.851 -2.975 1.00 41.01 O ATOM 143 CB THR A 10 15.612 -9.963 -0.690 1.00 51.10 C ATOM 144 OG1 THR A 10 16.704 -9.335 -1.371 1.00 52.01 O ATOM 145 CG2 THR A 10 15.868 -11.458 -0.581 1.00 23.41 C ATOM 0 H THR A 10 15.034 -10.989 -2.905 1.00 21.23 H new ATOM 0 HA THR A 10 13.457 -9.933 -0.788 1.00 14.03 H new ATOM 0 HB THR A 10 15.526 -9.551 0.316 1.00 51.10 H new ATOM 0 HG1 THR A 10 17.537 -9.514 -0.888 1.00 52.01 H new ATOM 0 HG21 THR A 10 16.803 -11.629 -0.048 1.00 23.41 H new ATOM 0 HG22 THR A 10 15.049 -11.929 -0.037 1.00 23.41 H new ATOM 0 HG23 THR A 10 15.935 -11.889 -1.580 1.00 23.41 H new ATOM 153 N LEU A 11 14.326 -7.349 -0.793 1.00 71.33 N ATOM 154 CA LEU A 11 14.281 -5.907 -1.008 1.00 35.02 C ATOM 155 C LEU A 11 15.253 -5.489 -2.106 1.00 73.03 C ATOM 156 O LEU A 11 14.918 -4.677 -2.969 1.00 4.53 O ATOM 157 CB LEU A 11 14.611 -5.168 0.290 1.00 42.10 C ATOM 158 CG LEU A 11 13.738 -5.510 1.498 1.00 3.51 C ATOM 159 CD1 LEU A 11 14.452 -5.148 2.791 1.00 12.15 C ATOM 160 CD2 LEU A 11 12.399 -4.793 1.408 1.00 74.44 C ATOM 0 H LEU A 11 14.434 -7.627 0.183 1.00 71.33 H new ATOM 0 HA LEU A 11 13.272 -5.643 -1.323 1.00 35.02 H new ATOM 0 HB2 LEU A 11 15.650 -5.374 0.548 1.00 42.10 H new ATOM 0 HB3 LEU A 11 14.535 -4.097 0.104 1.00 42.10 H new ATOM 0 HG LEU A 11 13.553 -6.584 1.497 1.00 3.51 H new ATOM 0 HD11 LEU A 11 13.816 -5.398 3.640 1.00 12.15 H new ATOM 0 HD12 LEU A 11 15.386 -5.706 2.860 1.00 12.15 H new ATOM 0 HD13 LEU A 11 14.667 -4.079 2.801 1.00 12.15 H new ATOM 0 HD21 LEU A 11 11.791 -5.048 2.276 1.00 74.44 H new ATOM 0 HD22 LEU A 11 12.564 -3.716 1.384 1.00 74.44 H new ATOM 0 HD23 LEU A 11 11.882 -5.101 0.499 1.00 74.44 H new ATOM 172 N ASP A 12 16.456 -6.051 -2.070 1.00 32.14 N ATOM 173 CA ASP A 12 17.476 -5.739 -3.064 1.00 30.41 C ATOM 174 C ASP A 12 16.945 -5.965 -4.476 1.00 63.52 C ATOM 175 O ASP A 12 17.303 -5.244 -5.407 1.00 32.30 O ATOM 176 CB ASP A 12 18.723 -6.594 -2.831 1.00 40.15 C ATOM 177 CG ASP A 12 19.536 -6.120 -1.643 1.00 21.12 C ATOM 178 OD1 ASP A 12 18.965 -5.434 -0.769 1.00 62.45 O ATOM 179 OD2 ASP A 12 20.744 -6.434 -1.586 1.00 73.44 O ATOM 0 H ASP A 12 16.749 -6.725 -1.363 1.00 32.14 H new ATOM 0 HA ASP A 12 17.742 -4.687 -2.959 1.00 30.41 H new ATOM 0 HB2 ASP A 12 18.425 -7.631 -2.673 1.00 40.15 H new ATOM 0 HB3 ASP A 12 19.346 -6.574 -3.725 1.00 40.15 H new ATOM 184 N ALA A 13 16.091 -6.972 -4.628 1.00 22.32 N ATOM 185 CA ALA A 13 15.511 -7.293 -5.926 1.00 12.11 C ATOM 186 C ALA A 13 14.238 -6.489 -6.172 1.00 23.43 C ATOM 187 O ALA A 13 14.123 -5.783 -7.174 1.00 1.24 O ATOM 188 CB ALA A 13 15.223 -8.784 -6.022 1.00 13.25 C ATOM 0 H ALA A 13 15.786 -7.580 -3.868 1.00 22.32 H new ATOM 0 HA ALA A 13 16.234 -7.024 -6.696 1.00 12.11 H new ATOM 0 HB1 ALA A 13 14.790 -9.009 -6.997 1.00 13.25 H new ATOM 0 HB2 ALA A 13 16.151 -9.342 -5.899 1.00 13.25 H new ATOM 0 HB3 ALA A 13 14.521 -9.070 -5.239 1.00 13.25 H new ATOM 194 N ILE A 14 13.286 -6.603 -5.252 1.00 53.23 N ATOM 195 CA ILE A 14 12.022 -5.886 -5.370 1.00 71.21 C ATOM 196 C ILE A 14 12.254 -4.403 -5.639 1.00 72.23 C ATOM 197 O ILE A 14 11.616 -3.813 -6.512 1.00 60.23 O ATOM 198 CB ILE A 14 11.168 -6.038 -4.097 1.00 51.05 C ATOM 199 CG1 ILE A 14 10.858 -7.514 -3.838 1.00 53.41 C ATOM 200 CG2 ILE A 14 9.882 -5.235 -4.224 1.00 32.02 C ATOM 201 CD1 ILE A 14 10.292 -7.779 -2.461 1.00 33.13 C ATOM 0 H ILE A 14 13.366 -7.184 -4.418 1.00 53.23 H new ATOM 0 HA ILE A 14 11.487 -6.326 -6.212 1.00 71.21 H new ATOM 0 HB ILE A 14 11.733 -5.651 -3.249 1.00 51.05 H new ATOM 0 HG12 ILE A 14 10.149 -7.865 -4.587 1.00 53.41 H new ATOM 0 HG13 ILE A 14 11.770 -8.096 -3.965 1.00 53.41 H new ATOM 0 HG21 ILE A 14 9.289 -5.352 -3.317 1.00 32.02 H new ATOM 0 HG22 ILE A 14 10.123 -4.182 -4.366 1.00 32.02 H new ATOM 0 HG23 ILE A 14 9.311 -5.595 -5.080 1.00 32.02 H new ATOM 0 HD11 ILE A 14 10.096 -8.845 -2.347 1.00 33.13 H new ATOM 0 HD12 ILE A 14 11.009 -7.459 -1.705 1.00 33.13 H new ATOM 0 HD13 ILE A 14 9.362 -7.224 -2.337 1.00 33.13 H new ATOM 213 N CYS A 15 13.171 -3.807 -4.886 1.00 20.43 N ATOM 214 CA CYS A 15 13.489 -2.392 -5.043 1.00 73.53 C ATOM 215 C CYS A 15 13.984 -2.101 -6.456 1.00 51.41 C ATOM 216 O CYS A 15 13.810 -0.996 -6.970 1.00 50.34 O ATOM 217 CB CYS A 15 14.545 -1.969 -4.022 1.00 10.32 C ATOM 218 SG CYS A 15 13.923 -1.832 -2.330 1.00 15.22 S ATOM 0 H CYS A 15 13.708 -4.282 -4.160 1.00 20.43 H new ATOM 0 HA CYS A 15 12.578 -1.818 -4.871 1.00 73.53 H new ATOM 0 HB2 CYS A 15 15.362 -2.690 -4.040 1.00 10.32 H new ATOM 0 HB3 CYS A 15 14.962 -1.008 -4.323 1.00 10.32 H new ATOM 0 HG CYS A 15 14.067 -2.972 -1.721 1.00 15.22 H new ATOM 224 N VAL A 16 14.603 -3.099 -7.078 1.00 44.54 N ATOM 225 CA VAL A 16 15.125 -2.949 -8.432 1.00 31.12 C ATOM 226 C VAL A 16 14.051 -3.252 -9.471 1.00 23.01 C ATOM 227 O VAL A 16 14.079 -2.719 -10.580 1.00 70.14 O ATOM 228 CB VAL A 16 16.333 -3.874 -8.673 1.00 52.21 C ATOM 229 CG1 VAL A 16 16.788 -3.790 -10.122 1.00 23.40 C ATOM 230 CG2 VAL A 16 17.470 -3.521 -7.727 1.00 25.32 C ATOM 0 H VAL A 16 14.755 -4.020 -6.667 1.00 44.54 H new ATOM 0 HA VAL A 16 15.445 -1.912 -8.536 1.00 31.12 H new ATOM 0 HB VAL A 16 16.029 -4.901 -8.472 1.00 52.21 H new ATOM 0 HG11 VAL A 16 17.642 -4.450 -10.274 1.00 23.40 H new ATOM 0 HG12 VAL A 16 15.973 -4.095 -10.778 1.00 23.40 H new ATOM 0 HG13 VAL A 16 17.076 -2.765 -10.354 1.00 23.40 H new ATOM 0 HG21 VAL A 16 18.315 -4.184 -7.911 1.00 25.32 H new ATOM 0 HG22 VAL A 16 17.776 -2.488 -7.895 1.00 25.32 H new ATOM 0 HG23 VAL A 16 17.135 -3.637 -6.696 1.00 25.32 H new ATOM 240 N ARG A 17 13.106 -4.111 -9.104 1.00 13.32 N ATOM 241 CA ARG A 17 12.022 -4.485 -10.005 1.00 24.53 C ATOM 242 C ARG A 17 10.870 -3.490 -9.912 1.00 53.04 C ATOM 243 O ARG A 17 9.965 -3.493 -10.748 1.00 4.40 O ATOM 244 CB ARG A 17 11.522 -5.893 -9.677 1.00 30.41 C ATOM 245 CG ARG A 17 10.368 -5.915 -8.688 1.00 53.33 C ATOM 246 CD ARG A 17 9.964 -7.337 -8.334 1.00 75.44 C ATOM 247 NE ARG A 17 11.119 -8.172 -8.016 1.00 42.34 N ATOM 248 CZ ARG A 17 11.104 -9.499 -8.067 1.00 35.03 C ATOM 249 NH1 ARG A 17 9.998 -10.139 -8.421 1.00 32.32 N ATOM 250 NH2 ARG A 17 12.196 -10.189 -7.763 1.00 13.40 N ATOM 0 H ARG A 17 13.069 -4.561 -8.189 1.00 13.32 H new ATOM 0 HA ARG A 17 12.409 -4.472 -11.024 1.00 24.53 H new ATOM 0 HB2 ARG A 17 11.208 -6.382 -10.599 1.00 30.41 H new ATOM 0 HB3 ARG A 17 12.348 -6.477 -9.272 1.00 30.41 H new ATOM 0 HG2 ARG A 17 10.654 -5.381 -7.782 1.00 53.33 H new ATOM 0 HG3 ARG A 17 9.514 -5.388 -9.113 1.00 53.33 H new ATOM 0 HD2 ARG A 17 9.284 -7.319 -7.482 1.00 75.44 H new ATOM 0 HD3 ARG A 17 9.418 -7.777 -9.168 1.00 75.44 H new ATOM 0 HE ARG A 17 11.985 -7.710 -7.739 1.00 42.34 H new ATOM 0 HH11 ARG A 17 9.157 -9.612 -8.655 1.00 32.32 H new ATOM 0 HH12 ARG A 17 9.989 -11.158 -8.460 1.00 32.32 H new ATOM 0 HH21 ARG A 17 13.049 -9.700 -7.490 1.00 13.40 H new ATOM 0 HH22 ARG A 17 12.183 -11.208 -7.803 1.00 13.40 H new ATOM 264 N TYR A 18 10.909 -2.641 -8.892 1.00 14.14 N ATOM 265 CA TYR A 18 9.866 -1.642 -8.688 1.00 42.02 C ATOM 266 C TYR A 18 10.383 -0.243 -9.008 1.00 53.52 C ATOM 267 O TYR A 18 9.882 0.424 -9.914 1.00 42.31 O ATOM 268 CB TYR A 18 9.357 -1.692 -7.247 1.00 35.41 C ATOM 269 CG TYR A 18 8.141 -2.573 -7.065 1.00 53.30 C ATOM 270 CD1 TYR A 18 8.275 -3.924 -6.771 1.00 22.13 C ATOM 271 CD2 TYR A 18 6.858 -2.054 -7.188 1.00 51.23 C ATOM 272 CE1 TYR A 18 7.167 -4.733 -6.604 1.00 44.43 C ATOM 273 CE2 TYR A 18 5.744 -2.854 -7.022 1.00 65.31 C ATOM 274 CZ TYR A 18 5.904 -4.193 -6.730 1.00 43.05 C ATOM 275 OH TYR A 18 4.798 -4.994 -6.566 1.00 33.14 O ATOM 0 H TYR A 18 11.652 -2.624 -8.193 1.00 14.14 H new ATOM 0 HA TYR A 18 9.043 -1.870 -9.365 1.00 42.02 H new ATOM 0 HB2 TYR A 18 10.157 -2.053 -6.600 1.00 35.41 H new ATOM 0 HB3 TYR A 18 9.115 -0.681 -6.921 1.00 35.41 H new ATOM 0 HD1 TYR A 18 9.263 -4.350 -6.671 1.00 22.13 H new ATOM 0 HD2 TYR A 18 6.729 -1.007 -7.417 1.00 51.23 H new ATOM 0 HE1 TYR A 18 7.289 -5.782 -6.376 1.00 44.43 H new ATOM 0 HE2 TYR A 18 4.754 -2.434 -7.120 1.00 65.31 H new ATOM 0 HH TYR A 18 5.007 -5.716 -5.937 1.00 33.14 H new ATOM 285 N TYR A 19 11.388 0.195 -8.258 1.00 52.53 N ATOM 286 CA TYR A 19 11.973 1.516 -8.459 1.00 75.15 C ATOM 287 C TYR A 19 13.166 1.445 -9.407 1.00 23.42 C ATOM 288 O TYR A 19 13.404 2.359 -10.194 1.00 50.43 O ATOM 289 CB TYR A 19 12.405 2.115 -7.120 1.00 62.40 C ATOM 290 CG TYR A 19 11.454 1.810 -5.985 1.00 31.20 C ATOM 291 CD1 TYR A 19 10.327 2.593 -5.768 1.00 52.02 C ATOM 292 CD2 TYR A 19 11.682 0.740 -5.129 1.00 24.31 C ATOM 293 CE1 TYR A 19 9.455 2.319 -4.732 1.00 60.01 C ATOM 294 CE2 TYR A 19 10.815 0.457 -4.091 1.00 44.32 C ATOM 295 CZ TYR A 19 9.703 1.250 -3.897 1.00 24.13 C ATOM 296 OH TYR A 19 8.838 0.973 -2.863 1.00 61.33 O ATOM 0 H TYR A 19 11.815 -0.345 -7.505 1.00 52.53 H new ATOM 0 HA TYR A 19 11.214 2.157 -8.907 1.00 75.15 H new ATOM 0 HB2 TYR A 19 13.395 1.737 -6.865 1.00 62.40 H new ATOM 0 HB3 TYR A 19 12.495 3.196 -7.227 1.00 62.40 H new ATOM 0 HD1 TYR A 19 10.129 3.430 -6.421 1.00 52.02 H new ATOM 0 HD2 TYR A 19 12.552 0.118 -5.277 1.00 24.31 H new ATOM 0 HE1 TYR A 19 8.584 2.939 -4.577 1.00 60.01 H new ATOM 0 HE2 TYR A 19 11.007 -0.380 -3.436 1.00 44.32 H new ATOM 0 HH TYR A 19 8.783 1.748 -2.266 1.00 61.33 H new ATOM 306 N GLY A 20 13.915 0.349 -9.324 1.00 33.31 N ATOM 307 CA GLY A 20 15.075 0.176 -10.179 1.00 13.22 C ATOM 308 C GLY A 20 16.360 0.618 -9.508 1.00 1.11 C ATOM 309 O GLY A 20 17.383 0.797 -10.169 1.00 24.53 O ATOM 0 H GLY A 20 13.739 -0.422 -8.680 1.00 33.31 H new ATOM 0 HA2 GLY A 20 15.159 -0.873 -10.464 1.00 13.22 H new ATOM 0 HA3 GLY A 20 14.934 0.745 -11.098 1.00 13.22 H new ATOM 313 N ARG A 21 16.308 0.797 -8.192 1.00 71.30 N ATOM 314 CA ARG A 21 17.477 1.224 -7.432 1.00 35.50 C ATOM 315 C ARG A 21 17.530 0.522 -6.078 1.00 1.42 C ATOM 316 O ARG A 21 16.545 -0.066 -5.631 1.00 71.42 O ATOM 317 CB ARG A 21 17.456 2.740 -7.233 1.00 14.14 C ATOM 318 CG ARG A 21 17.054 3.513 -8.478 1.00 62.34 C ATOM 319 CD ARG A 21 15.564 3.813 -8.492 1.00 35.14 C ATOM 320 NE ARG A 21 15.191 4.688 -9.600 1.00 2.33 N ATOM 321 CZ ARG A 21 14.076 5.409 -9.624 1.00 10.51 C ATOM 322 NH1 ARG A 21 13.228 5.360 -8.605 1.00 44.05 N ATOM 323 NH2 ARG A 21 13.807 6.183 -10.668 1.00 71.31 N ATOM 0 H ARG A 21 15.469 0.653 -7.630 1.00 71.30 H new ATOM 0 HA ARG A 21 18.368 0.952 -7.998 1.00 35.50 H new ATOM 0 HB2 ARG A 21 16.764 2.982 -6.426 1.00 14.14 H new ATOM 0 HB3 ARG A 21 18.445 3.070 -6.915 1.00 14.14 H new ATOM 0 HG2 ARG A 21 17.614 4.447 -8.524 1.00 62.34 H new ATOM 0 HG3 ARG A 21 17.319 2.938 -9.365 1.00 62.34 H new ATOM 0 HD2 ARG A 21 15.007 2.879 -8.565 1.00 35.14 H new ATOM 0 HD3 ARG A 21 15.280 4.281 -7.549 1.00 35.14 H new ATOM 0 HE ARG A 21 15.822 4.749 -10.399 1.00 2.33 H new ATOM 0 HH11 ARG A 21 13.432 4.767 -7.800 1.00 44.05 H new ATOM 0 HH12 ARG A 21 12.372 5.915 -8.626 1.00 44.05 H new ATOM 0 HH21 ARG A 21 14.457 6.224 -11.453 1.00 71.31 H new ATOM 0 HH22 ARG A 21 12.950 6.736 -10.685 1.00 71.31 H new ATOM 337 N THR A 22 18.688 0.589 -5.428 1.00 21.10 N ATOM 338 CA THR A 22 18.871 -0.040 -4.126 1.00 63.32 C ATOM 339 C THR A 22 19.448 0.945 -3.116 1.00 31.43 C ATOM 340 O THR A 22 19.071 0.938 -1.945 1.00 34.24 O ATOM 341 CB THR A 22 19.801 -1.265 -4.220 1.00 73.11 C ATOM 342 OG1 THR A 22 20.741 -1.086 -5.285 1.00 3.12 O ATOM 343 CG2 THR A 22 18.999 -2.536 -4.454 1.00 34.41 C ATOM 0 H THR A 22 19.513 1.073 -5.782 1.00 21.10 H new ATOM 0 HA THR A 22 17.886 -0.365 -3.791 1.00 63.32 H new ATOM 0 HB THR A 22 20.336 -1.360 -3.275 1.00 73.11 H new ATOM 0 HG1 THR A 22 21.329 -1.868 -5.337 1.00 3.12 H new ATOM 0 HG21 THR A 22 19.677 -3.387 -4.517 1.00 34.41 H new ATOM 0 HG22 THR A 22 18.304 -2.685 -3.627 1.00 34.41 H new ATOM 0 HG23 THR A 22 18.440 -2.447 -5.386 1.00 34.41 H new ATOM 351 N GLU A 23 20.364 1.791 -3.577 1.00 74.21 N ATOM 352 CA GLU A 23 20.992 2.782 -2.712 1.00 31.15 C ATOM 353 C GLU A 23 19.985 3.844 -2.280 1.00 34.23 C ATOM 354 O GLU A 23 19.523 4.644 -3.092 1.00 41.12 O ATOM 355 CB GLU A 23 22.171 3.443 -3.428 1.00 40.21 C ATOM 356 CG GLU A 23 21.855 3.875 -4.850 1.00 74.53 C ATOM 357 CD GLU A 23 22.919 4.783 -5.435 1.00 13.12 C ATOM 358 OE1 GLU A 23 22.947 5.976 -5.068 1.00 43.43 O ATOM 359 OE2 GLU A 23 23.723 4.300 -6.259 1.00 21.11 O ATOM 0 H GLU A 23 20.687 1.810 -4.544 1.00 74.21 H new ATOM 0 HA GLU A 23 21.358 2.270 -1.822 1.00 31.15 H new ATOM 0 HB2 GLU A 23 22.491 4.314 -2.855 1.00 40.21 H new ATOM 0 HB3 GLU A 23 23.010 2.748 -3.447 1.00 40.21 H new ATOM 0 HG2 GLU A 23 21.751 2.991 -5.479 1.00 74.53 H new ATOM 0 HG3 GLU A 23 20.895 4.391 -4.864 1.00 74.53 H new ATOM 366 N GLY A 24 19.648 3.843 -0.993 1.00 54.45 N ATOM 367 CA GLY A 24 18.697 4.810 -0.475 1.00 70.24 C ATOM 368 C GLY A 24 17.276 4.282 -0.474 1.00 21.25 C ATOM 369 O GLY A 24 16.487 4.606 0.414 1.00 54.24 O ATOM 0 H GLY A 24 20.016 3.191 -0.301 1.00 54.45 H new ATOM 0 HA2 GLY A 24 18.980 5.085 0.541 1.00 70.24 H new ATOM 0 HA3 GLY A 24 18.743 5.718 -1.076 1.00 70.24 H new ATOM 373 N VAL A 25 16.948 3.467 -1.471 1.00 20.51 N ATOM 374 CA VAL A 25 15.612 2.893 -1.581 1.00 62.24 C ATOM 375 C VAL A 25 15.396 1.799 -0.542 1.00 22.21 C ATOM 376 O VAL A 25 14.468 1.868 0.264 1.00 61.41 O ATOM 377 CB VAL A 25 15.367 2.308 -2.985 1.00 60.20 C ATOM 378 CG1 VAL A 25 13.905 1.924 -3.156 1.00 1.31 C ATOM 379 CG2 VAL A 25 15.796 3.298 -4.057 1.00 12.30 C ATOM 0 H VAL A 25 17.589 3.189 -2.214 1.00 20.51 H new ATOM 0 HA VAL A 25 14.904 3.703 -1.404 1.00 62.24 H new ATOM 0 HB VAL A 25 15.970 1.406 -3.094 1.00 60.20 H new ATOM 0 HG11 VAL A 25 13.751 1.513 -4.154 1.00 1.31 H new ATOM 0 HG12 VAL A 25 13.635 1.177 -2.410 1.00 1.31 H new ATOM 0 HG13 VAL A 25 13.279 2.807 -3.027 1.00 1.31 H new ATOM 0 HG21 VAL A 25 15.616 2.868 -5.042 1.00 12.30 H new ATOM 0 HG22 VAL A 25 15.222 4.219 -3.952 1.00 12.30 H new ATOM 0 HG23 VAL A 25 16.858 3.517 -3.946 1.00 12.30 H new ATOM 389 N VAL A 26 16.260 0.789 -0.565 1.00 62.14 N ATOM 390 CA VAL A 26 16.165 -0.320 0.376 1.00 25.32 C ATOM 391 C VAL A 26 16.081 0.184 1.813 1.00 62.15 C ATOM 392 O VAL A 26 15.417 -0.420 2.654 1.00 23.12 O ATOM 393 CB VAL A 26 17.371 -1.271 0.247 1.00 12.52 C ATOM 394 CG1 VAL A 26 17.403 -1.908 -1.133 1.00 40.05 C ATOM 395 CG2 VAL A 26 18.667 -0.527 0.531 1.00 64.22 C ATOM 0 H VAL A 26 17.034 0.716 -1.226 1.00 62.14 H new ATOM 0 HA VAL A 26 15.254 -0.865 0.131 1.00 25.32 H new ATOM 0 HB VAL A 26 17.266 -2.066 0.985 1.00 12.52 H new ATOM 0 HG11 VAL A 26 18.261 -2.576 -1.206 1.00 40.05 H new ATOM 0 HG12 VAL A 26 16.486 -2.476 -1.293 1.00 40.05 H new ATOM 0 HG13 VAL A 26 17.484 -1.129 -1.891 1.00 40.05 H new ATOM 0 HG21 VAL A 26 19.509 -1.213 0.436 1.00 64.22 H new ATOM 0 HG22 VAL A 26 18.782 0.289 -0.182 1.00 64.22 H new ATOM 0 HG23 VAL A 26 18.641 -0.124 1.543 1.00 64.22 H new ATOM 405 N GLU A 27 16.758 1.295 2.085 1.00 64.03 N ATOM 406 CA GLU A 27 16.760 1.880 3.420 1.00 12.13 C ATOM 407 C GLU A 27 15.359 2.340 3.814 1.00 1.03 C ATOM 408 O GLU A 27 14.961 2.234 4.975 1.00 61.21 O ATOM 409 CB GLU A 27 17.732 3.060 3.484 1.00 64.35 C ATOM 410 CG GLU A 27 19.156 2.657 3.828 1.00 23.34 C ATOM 411 CD GLU A 27 19.257 1.966 5.175 1.00 43.05 C ATOM 412 OE1 GLU A 27 18.947 2.611 6.198 1.00 61.13 O ATOM 413 OE2 GLU A 27 19.647 0.780 5.204 1.00 32.31 O ATOM 0 H GLU A 27 17.312 1.808 1.399 1.00 64.03 H new ATOM 0 HA GLU A 27 17.084 1.113 4.124 1.00 12.13 H new ATOM 0 HB2 GLU A 27 17.731 3.573 2.523 1.00 64.35 H new ATOM 0 HB3 GLU A 27 17.376 3.774 4.227 1.00 64.35 H new ATOM 0 HG2 GLU A 27 19.539 1.993 3.053 1.00 23.34 H new ATOM 0 HG3 GLU A 27 19.790 3.543 3.830 1.00 23.34 H new ATOM 420 N THR A 28 14.615 2.853 2.839 1.00 33.33 N ATOM 421 CA THR A 28 13.260 3.331 3.083 1.00 73.31 C ATOM 422 C THR A 28 12.388 2.232 3.681 1.00 5.34 C ATOM 423 O THR A 28 11.865 2.374 4.787 1.00 61.04 O ATOM 424 CB THR A 28 12.603 3.842 1.787 1.00 50.30 C ATOM 425 OG1 THR A 28 13.530 4.651 1.054 1.00 62.42 O ATOM 426 CG2 THR A 28 11.352 4.651 2.097 1.00 62.12 C ATOM 0 H THR A 28 14.928 2.948 1.873 1.00 33.33 H new ATOM 0 HA THR A 28 13.339 4.155 3.792 1.00 73.31 H new ATOM 0 HB THR A 28 12.319 2.979 1.185 1.00 50.30 H new ATOM 0 HG1 THR A 28 13.105 4.971 0.231 1.00 62.42 H new ATOM 0 HG21 THR A 28 10.905 5.001 1.166 1.00 62.12 H new ATOM 0 HG22 THR A 28 10.636 4.025 2.630 1.00 62.12 H new ATOM 0 HG23 THR A 28 11.617 5.507 2.717 1.00 62.12 H new ATOM 434 N VAL A 29 12.237 1.136 2.945 1.00 50.23 N ATOM 435 CA VAL A 29 11.430 0.012 3.404 1.00 61.11 C ATOM 436 C VAL A 29 11.851 -0.432 4.800 1.00 34.14 C ATOM 437 O VAL A 29 11.009 -0.691 5.662 1.00 54.44 O ATOM 438 CB VAL A 29 11.538 -1.186 2.442 1.00 31.20 C ATOM 439 CG1 VAL A 29 10.661 -2.334 2.919 1.00 65.43 C ATOM 440 CG2 VAL A 29 11.162 -0.769 1.028 1.00 22.21 C ATOM 0 H VAL A 29 12.663 1.002 2.028 1.00 50.23 H new ATOM 0 HA VAL A 29 10.396 0.355 3.431 1.00 61.11 H new ATOM 0 HB VAL A 29 12.572 -1.530 2.432 1.00 31.20 H new ATOM 0 HG11 VAL A 29 10.750 -3.172 2.227 1.00 65.43 H new ATOM 0 HG12 VAL A 29 10.981 -2.648 3.912 1.00 65.43 H new ATOM 0 HG13 VAL A 29 9.622 -2.006 2.960 1.00 65.43 H new ATOM 0 HG21 VAL A 29 11.244 -1.628 0.362 1.00 22.21 H new ATOM 0 HG22 VAL A 29 10.137 -0.399 1.018 1.00 22.21 H new ATOM 0 HG23 VAL A 29 11.835 0.018 0.690 1.00 22.21 H new ATOM 450 N LEU A 30 13.158 -0.518 5.019 1.00 30.41 N ATOM 451 CA LEU A 30 13.692 -0.931 6.313 1.00 52.15 C ATOM 452 C LEU A 30 13.086 -0.103 7.441 1.00 54.10 C ATOM 453 O LEU A 30 12.593 -0.648 8.428 1.00 13.22 O ATOM 454 CB LEU A 30 15.215 -0.793 6.325 1.00 22.01 C ATOM 455 CG LEU A 30 15.991 -1.845 5.531 1.00 51.41 C ATOM 456 CD1 LEU A 30 17.487 -1.589 5.626 1.00 41.10 C ATOM 457 CD2 LEU A 30 15.654 -3.243 6.027 1.00 24.22 C ATOM 0 H LEU A 30 13.868 -0.307 4.318 1.00 30.41 H new ATOM 0 HA LEU A 30 13.427 -1.976 6.472 1.00 52.15 H new ATOM 0 HB2 LEU A 30 15.474 0.191 5.935 1.00 22.01 H new ATOM 0 HB3 LEU A 30 15.554 -0.825 7.360 1.00 22.01 H new ATOM 0 HG LEU A 30 15.697 -1.772 4.484 1.00 51.41 H new ATOM 0 HD11 LEU A 30 18.023 -2.347 5.055 1.00 41.10 H new ATOM 0 HD12 LEU A 30 17.714 -0.603 5.221 1.00 41.10 H new ATOM 0 HD13 LEU A 30 17.798 -1.633 6.670 1.00 41.10 H new ATOM 0 HD21 LEU A 30 16.215 -3.979 5.451 1.00 24.22 H new ATOM 0 HD22 LEU A 30 15.919 -3.329 7.081 1.00 24.22 H new ATOM 0 HD23 LEU A 30 14.586 -3.425 5.905 1.00 24.22 H new ATOM 469 N ALA A 31 13.124 1.216 7.286 1.00 10.53 N ATOM 470 CA ALA A 31 12.575 2.120 8.290 1.00 34.40 C ATOM 471 C ALA A 31 11.110 1.802 8.572 1.00 60.24 C ATOM 472 O ALA A 31 10.653 1.894 9.710 1.00 21.35 O ATOM 473 CB ALA A 31 12.726 3.565 7.839 1.00 71.21 C ATOM 0 H ALA A 31 13.529 1.683 6.475 1.00 10.53 H new ATOM 0 HA ALA A 31 13.135 1.980 9.215 1.00 34.40 H new ATOM 0 HB1 ALA A 31 12.312 4.228 8.598 1.00 71.21 H new ATOM 0 HB2 ALA A 31 13.782 3.793 7.695 1.00 71.21 H new ATOM 0 HB3 ALA A 31 12.192 3.711 6.900 1.00 71.21 H new ATOM 479 N ALA A 32 10.379 1.428 7.527 1.00 51.35 N ATOM 480 CA ALA A 32 8.966 1.096 7.662 1.00 22.23 C ATOM 481 C ALA A 32 8.785 -0.293 8.265 1.00 74.34 C ATOM 482 O ALA A 32 7.759 -0.585 8.877 1.00 15.14 O ATOM 483 CB ALA A 32 8.271 1.182 6.311 1.00 4.44 C ATOM 0 H ALA A 32 10.742 1.347 6.577 1.00 51.35 H new ATOM 0 HA ALA A 32 8.511 1.820 8.338 1.00 22.23 H new ATOM 0 HB1 ALA A 32 7.217 0.931 6.428 1.00 4.44 H new ATOM 0 HB2 ALA A 32 8.362 2.195 5.919 1.00 4.44 H new ATOM 0 HB3 ALA A 32 8.736 0.481 5.617 1.00 4.44 H new ATOM 489 N ASN A 33 9.788 -1.147 8.085 1.00 15.32 N ATOM 490 CA ASN A 33 9.737 -2.506 8.610 1.00 23.43 C ATOM 491 C ASN A 33 11.105 -2.941 9.127 1.00 3.34 C ATOM 492 O ASN A 33 11.806 -3.741 8.507 1.00 51.32 O ATOM 493 CB ASN A 33 9.257 -3.476 7.528 1.00 3.23 C ATOM 494 CG ASN A 33 7.746 -3.506 7.408 1.00 31.13 C ATOM 495 OD1 ASN A 33 7.085 -4.380 7.969 1.00 31.13 O ATOM 496 ND2 ASN A 33 7.192 -2.549 6.674 1.00 54.33 N ATOM 0 H ASN A 33 10.645 -0.922 7.580 1.00 15.32 H new ATOM 0 HA ASN A 33 9.032 -2.521 9.441 1.00 23.43 H new ATOM 0 HB2 ASN A 33 9.689 -3.189 6.569 1.00 3.23 H new ATOM 0 HB3 ASN A 33 9.621 -4.478 7.755 1.00 3.23 H new ATOM 0 HD21 ASN A 33 6.179 -2.518 6.557 1.00 54.33 H new ATOM 0 HD22 ASN A 33 7.779 -1.845 6.227 1.00 54.33 H new ATOM 503 N PRO A 34 11.496 -2.402 10.292 1.00 31.11 N ATOM 504 CA PRO A 34 12.782 -2.720 10.919 1.00 21.15 C ATOM 505 C PRO A 34 12.830 -4.148 11.451 1.00 23.34 C ATOM 506 O PRO A 34 11.797 -4.745 11.750 1.00 73.24 O ATOM 507 CB PRO A 34 12.872 -1.717 12.072 1.00 1.11 C ATOM 508 CG PRO A 34 11.457 -1.378 12.391 1.00 31.41 C ATOM 509 CD PRO A 34 10.712 -1.442 11.087 1.00 52.35 C ATOM 0 HA PRO A 34 13.608 -2.652 10.211 1.00 21.15 H new ATOM 0 HB2 PRO A 34 13.379 -2.150 12.934 1.00 1.11 H new ATOM 0 HB3 PRO A 34 13.436 -0.830 11.782 1.00 1.11 H new ATOM 0 HG2 PRO A 34 11.041 -2.080 13.113 1.00 31.41 H new ATOM 0 HG3 PRO A 34 11.384 -0.385 12.834 1.00 31.41 H new ATOM 0 HD2 PRO A 34 9.685 -1.780 11.227 1.00 52.35 H new ATOM 0 HD3 PRO A 34 10.663 -0.466 10.604 1.00 52.35 H new ATOM 517 N GLY A 35 14.038 -4.691 11.568 1.00 25.23 N ATOM 518 CA GLY A 35 14.198 -6.045 12.065 1.00 63.42 C ATOM 519 C GLY A 35 14.059 -7.085 10.970 1.00 11.41 C ATOM 520 O GLY A 35 14.301 -8.271 11.196 1.00 75.24 O ATOM 0 H GLY A 35 14.909 -4.217 11.327 1.00 25.23 H new ATOM 0 HA2 GLY A 35 15.177 -6.144 12.533 1.00 63.42 H new ATOM 0 HA3 GLY A 35 13.454 -6.235 12.839 1.00 63.42 H new ATOM 524 N LEU A 36 13.667 -6.640 9.781 1.00 34.13 N ATOM 525 CA LEU A 36 13.493 -7.541 8.647 1.00 44.32 C ATOM 526 C LEU A 36 14.827 -7.813 7.959 1.00 44.32 C ATOM 527 O LEU A 36 15.074 -8.917 7.476 1.00 21.40 O ATOM 528 CB LEU A 36 12.502 -6.946 7.645 1.00 31.02 C ATOM 529 CG LEU A 36 11.583 -7.943 6.938 1.00 13.23 C ATOM 530 CD1 LEU A 36 12.394 -8.901 6.080 1.00 53.11 C ATOM 531 CD2 LEU A 36 10.747 -8.710 7.953 1.00 40.31 C ATOM 0 H LEU A 36 13.464 -5.661 9.577 1.00 34.13 H new ATOM 0 HA LEU A 36 13.098 -8.485 9.022 1.00 44.32 H new ATOM 0 HB2 LEU A 36 11.882 -6.217 8.167 1.00 31.02 H new ATOM 0 HB3 LEU A 36 13.065 -6.401 6.887 1.00 31.02 H new ATOM 0 HG LEU A 36 10.908 -7.387 6.287 1.00 13.23 H new ATOM 0 HD11 LEU A 36 11.723 -9.603 5.585 1.00 53.11 H new ATOM 0 HD12 LEU A 36 12.948 -8.337 5.329 1.00 53.11 H new ATOM 0 HD13 LEU A 36 13.093 -9.451 6.710 1.00 53.11 H new ATOM 0 HD21 LEU A 36 10.099 -9.415 7.432 1.00 40.31 H new ATOM 0 HD22 LEU A 36 11.406 -9.254 8.630 1.00 40.31 H new ATOM 0 HD23 LEU A 36 10.137 -8.011 8.525 1.00 40.31 H new ATOM 543 N ALA A 37 15.685 -6.798 7.920 1.00 30.11 N ATOM 544 CA ALA A 37 16.995 -6.929 7.295 1.00 24.14 C ATOM 545 C ALA A 37 17.916 -7.812 8.131 1.00 70.21 C ATOM 546 O ALA A 37 18.895 -8.358 7.624 1.00 42.15 O ATOM 547 CB ALA A 37 17.621 -5.558 7.089 1.00 41.41 C ATOM 0 H ALA A 37 15.496 -5.876 8.314 1.00 30.11 H new ATOM 0 HA ALA A 37 16.861 -7.405 6.324 1.00 24.14 H new ATOM 0 HB1 ALA A 37 18.599 -5.671 6.621 1.00 41.41 H new ATOM 0 HB2 ALA A 37 16.978 -4.958 6.445 1.00 41.41 H new ATOM 0 HB3 ALA A 37 17.735 -5.061 8.053 1.00 41.41 H new ATOM 553 N GLU A 38 17.595 -7.947 9.414 1.00 71.32 N ATOM 554 CA GLU A 38 18.395 -8.764 10.319 1.00 4.50 C ATOM 555 C GLU A 38 18.317 -10.238 9.935 1.00 31.31 C ATOM 556 O GLU A 38 19.171 -11.038 10.320 1.00 34.35 O ATOM 557 CB GLU A 38 17.924 -8.575 11.763 1.00 62.34 C ATOM 558 CG GLU A 38 18.456 -7.311 12.416 1.00 11.04 C ATOM 559 CD GLU A 38 18.341 -7.343 13.928 1.00 35.10 C ATOM 560 OE1 GLU A 38 17.534 -8.145 14.444 1.00 71.11 O ATOM 561 OE2 GLU A 38 19.056 -6.567 14.595 1.00 51.21 O ATOM 0 H GLU A 38 16.787 -7.502 9.850 1.00 71.32 H new ATOM 0 HA GLU A 38 19.433 -8.441 10.238 1.00 4.50 H new ATOM 0 HB2 GLU A 38 16.834 -8.552 11.781 1.00 62.34 H new ATOM 0 HB3 GLU A 38 18.234 -9.437 12.353 1.00 62.34 H new ATOM 0 HG2 GLU A 38 19.501 -7.175 12.138 1.00 11.04 H new ATOM 0 HG3 GLU A 38 17.909 -6.450 12.032 1.00 11.04 H new ATOM 568 N LEU A 39 17.287 -10.591 9.174 1.00 31.31 N ATOM 569 CA LEU A 39 17.095 -11.970 8.737 1.00 2.04 C ATOM 570 C LEU A 39 18.358 -12.512 8.076 1.00 22.31 C ATOM 571 O LEU A 39 18.867 -13.565 8.457 1.00 24.40 O ATOM 572 CB LEU A 39 15.918 -12.059 7.765 1.00 41.44 C ATOM 573 CG LEU A 39 15.256 -13.431 7.636 1.00 54.33 C ATOM 574 CD1 LEU A 39 16.228 -14.440 7.045 1.00 40.55 C ATOM 575 CD2 LEU A 39 14.747 -13.907 8.989 1.00 44.32 C ATOM 0 H LEU A 39 16.572 -9.942 8.847 1.00 31.31 H new ATOM 0 HA LEU A 39 16.878 -12.577 9.616 1.00 2.04 H new ATOM 0 HB2 LEU A 39 15.160 -11.340 8.077 1.00 41.44 H new ATOM 0 HB3 LEU A 39 16.263 -11.750 6.778 1.00 41.44 H new ATOM 0 HG LEU A 39 14.405 -13.340 6.961 1.00 54.33 H new ATOM 0 HD11 LEU A 39 15.739 -15.410 6.961 1.00 40.55 H new ATOM 0 HD12 LEU A 39 16.543 -14.106 6.057 1.00 40.55 H new ATOM 0 HD13 LEU A 39 17.100 -14.528 7.693 1.00 40.55 H new ATOM 0 HD21 LEU A 39 14.279 -14.885 8.878 1.00 44.32 H new ATOM 0 HD22 LEU A 39 15.582 -13.981 9.686 1.00 44.32 H new ATOM 0 HD23 LEU A 39 14.015 -13.196 9.373 1.00 44.32 H new ATOM 587 N GLY A 40 18.860 -11.784 7.084 1.00 42.44 N ATOM 588 CA GLY A 40 20.061 -12.206 6.387 1.00 73.55 C ATOM 589 C GLY A 40 20.088 -11.741 4.944 1.00 3.43 C ATOM 590 O GLY A 40 19.541 -10.689 4.614 1.00 2.12 O ATOM 0 H GLY A 40 18.456 -10.909 6.750 1.00 42.44 H new ATOM 0 HA2 GLY A 40 20.936 -11.816 6.908 1.00 73.55 H new ATOM 0 HA3 GLY A 40 20.131 -13.293 6.416 1.00 73.55 H new ATOM 594 N ALA A 41 20.729 -12.525 4.083 1.00 14.51 N ATOM 595 CA ALA A 41 20.825 -12.187 2.668 1.00 2.45 C ATOM 596 C ALA A 41 19.518 -12.484 1.942 1.00 34.15 C ATOM 597 O ALA A 41 18.909 -11.594 1.349 1.00 12.20 O ATOM 598 CB ALA A 41 21.975 -12.945 2.022 1.00 74.31 C ATOM 0 H ALA A 41 21.189 -13.398 4.341 1.00 14.51 H new ATOM 0 HA ALA A 41 21.019 -11.117 2.587 1.00 2.45 H new ATOM 0 HB1 ALA A 41 22.035 -12.683 0.966 1.00 74.31 H new ATOM 0 HB2 ALA A 41 22.909 -12.678 2.516 1.00 74.31 H new ATOM 0 HB3 ALA A 41 21.805 -14.017 2.121 1.00 74.31 H new ATOM 604 N VAL A 42 19.091 -13.742 1.993 1.00 60.11 N ATOM 605 CA VAL A 42 17.855 -14.157 1.340 1.00 0.02 C ATOM 606 C VAL A 42 16.735 -14.349 2.356 1.00 32.42 C ATOM 607 O VAL A 42 16.828 -15.195 3.247 1.00 73.44 O ATOM 608 CB VAL A 42 18.049 -15.466 0.552 1.00 53.11 C ATOM 609 CG1 VAL A 42 16.818 -15.770 -0.289 1.00 21.12 C ATOM 610 CG2 VAL A 42 19.293 -15.383 -0.320 1.00 32.55 C ATOM 0 H VAL A 42 19.583 -14.491 2.480 1.00 60.11 H new ATOM 0 HA VAL A 42 17.580 -13.362 0.647 1.00 0.02 H new ATOM 0 HB VAL A 42 18.185 -16.281 1.263 1.00 53.11 H new ATOM 0 HG11 VAL A 42 16.973 -16.698 -0.839 1.00 21.12 H new ATOM 0 HG12 VAL A 42 15.950 -15.874 0.362 1.00 21.12 H new ATOM 0 HG13 VAL A 42 16.648 -14.955 -0.993 1.00 21.12 H new ATOM 0 HG21 VAL A 42 19.415 -16.316 -0.870 1.00 32.55 H new ATOM 0 HG22 VAL A 42 19.189 -14.558 -1.024 1.00 32.55 H new ATOM 0 HG23 VAL A 42 20.168 -15.215 0.309 1.00 32.55 H new ATOM 620 N LEU A 43 15.676 -13.560 2.217 1.00 13.43 N ATOM 621 CA LEU A 43 14.535 -13.643 3.123 1.00 2.21 C ATOM 622 C LEU A 43 13.751 -14.931 2.894 1.00 11.12 C ATOM 623 O LEU A 43 13.740 -15.494 1.799 1.00 23.04 O ATOM 624 CB LEU A 43 13.618 -12.433 2.933 1.00 63.33 C ATOM 625 CG LEU A 43 14.307 -11.069 2.890 1.00 2.12 C ATOM 626 CD1 LEU A 43 13.508 -10.094 2.039 1.00 4.13 C ATOM 627 CD2 LEU A 43 14.494 -10.522 4.298 1.00 43.11 C ATOM 0 H LEU A 43 15.583 -12.855 1.486 1.00 13.43 H new ATOM 0 HA LEU A 43 14.914 -13.647 4.145 1.00 2.21 H new ATOM 0 HB2 LEU A 43 13.062 -12.566 2.005 1.00 63.33 H new ATOM 0 HB3 LEU A 43 12.889 -12.424 3.743 1.00 63.33 H new ATOM 0 HG LEU A 43 15.290 -11.194 2.436 1.00 2.12 H new ATOM 0 HD11 LEU A 43 14.014 -9.129 2.020 1.00 4.13 H new ATOM 0 HD12 LEU A 43 13.426 -10.481 1.023 1.00 4.13 H new ATOM 0 HD13 LEU A 43 12.511 -9.973 2.463 1.00 4.13 H new ATOM 0 HD21 LEU A 43 14.986 -9.551 4.249 1.00 43.11 H new ATOM 0 HD22 LEU A 43 13.521 -10.412 4.778 1.00 43.11 H new ATOM 0 HD23 LEU A 43 15.109 -11.211 4.877 1.00 43.11 H new ATOM 639 N PRO A 44 13.076 -15.409 3.950 1.00 2.24 N ATOM 640 CA PRO A 44 12.274 -16.634 3.889 1.00 60.22 C ATOM 641 C PRO A 44 11.019 -16.463 3.040 1.00 33.32 C ATOM 642 O PRO A 44 10.188 -15.595 3.310 1.00 44.31 O ATOM 643 CB PRO A 44 11.900 -16.887 5.351 1.00 24.45 C ATOM 644 CG PRO A 44 11.953 -15.544 5.994 1.00 62.41 C ATOM 645 CD PRO A 44 13.044 -14.789 5.286 1.00 70.31 C ATOM 0 HA PRO A 44 12.820 -17.456 3.427 1.00 60.22 H new ATOM 0 HB2 PRO A 44 10.906 -17.327 5.435 1.00 24.45 H new ATOM 0 HB3 PRO A 44 12.596 -17.580 5.823 1.00 24.45 H new ATOM 0 HG2 PRO A 44 10.997 -15.028 5.900 1.00 62.41 H new ATOM 0 HG3 PRO A 44 12.166 -15.630 7.060 1.00 62.41 H new ATOM 0 HD2 PRO A 44 12.823 -13.723 5.229 1.00 70.31 H new ATOM 0 HD3 PRO A 44 14.001 -14.890 5.799 1.00 70.31 H new ATOM 653 N HIS A 45 10.886 -17.297 2.014 1.00 73.42 N ATOM 654 CA HIS A 45 9.730 -17.239 1.126 1.00 51.21 C ATOM 655 C HIS A 45 8.430 -17.266 1.924 1.00 72.21 C ATOM 656 O HIS A 45 8.208 -18.162 2.738 1.00 41.23 O ATOM 657 CB HIS A 45 9.760 -18.405 0.137 1.00 11.15 C ATOM 658 CG HIS A 45 9.643 -19.747 0.791 1.00 33.32 C ATOM 659 ND1 HIS A 45 10.733 -20.468 1.230 1.00 20.25 N ATOM 660 CD2 HIS A 45 8.555 -20.499 1.081 1.00 0.00 C ATOM 661 CE1 HIS A 45 10.321 -21.606 1.761 1.00 62.04 C ATOM 662 NE2 HIS A 45 9.003 -21.649 1.683 1.00 64.03 N ATOM 0 H HIS A 45 11.564 -18.021 1.777 1.00 73.42 H new ATOM 0 HA HIS A 45 9.776 -16.302 0.572 1.00 51.21 H new ATOM 0 HB2 HIS A 45 8.946 -18.286 -0.578 1.00 11.15 H new ATOM 0 HB3 HIS A 45 10.690 -18.366 -0.430 1.00 11.15 H new ATOM 0 HD2 HIS A 45 7.526 -20.242 0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 45 10.954 -22.371 2.186 1.00 62.04 H new ATOM 0 HE2 HIS A 45 8.414 -22.412 2.016 1.00 64.03 H new ATOM 670 N GLY A 46 7.573 -16.278 1.685 1.00 2.41 N ATOM 671 CA GLY A 46 6.307 -16.207 2.390 1.00 73.00 C ATOM 672 C GLY A 46 6.196 -14.972 3.261 1.00 1.42 C ATOM 673 O GLY A 46 5.118 -14.650 3.763 1.00 43.34 O ATOM 0 H GLY A 46 7.733 -15.525 1.015 1.00 2.41 H new ATOM 0 HA2 GLY A 46 5.491 -16.212 1.667 1.00 73.00 H new ATOM 0 HA3 GLY A 46 6.189 -17.096 3.009 1.00 73.00 H new ATOM 677 N THR A 47 7.315 -14.277 3.445 1.00 55.53 N ATOM 678 CA THR A 47 7.340 -13.071 4.264 1.00 73.33 C ATOM 679 C THR A 47 6.985 -11.839 3.440 1.00 51.04 C ATOM 680 O THR A 47 7.738 -11.435 2.554 1.00 72.21 O ATOM 681 CB THR A 47 8.721 -12.861 4.912 1.00 63.23 C ATOM 682 OG1 THR A 47 9.012 -13.941 5.807 1.00 51.44 O ATOM 683 CG2 THR A 47 8.769 -11.542 5.668 1.00 64.03 C ATOM 0 H THR A 47 8.216 -14.529 3.038 1.00 55.53 H new ATOM 0 HA THR A 47 6.596 -13.206 5.049 1.00 73.33 H new ATOM 0 HB THR A 47 9.469 -12.835 4.120 1.00 63.23 H new ATOM 0 HG1 THR A 47 9.449 -13.591 6.611 1.00 51.44 H new ATOM 0 HG21 THR A 47 9.754 -11.416 6.117 1.00 64.03 H new ATOM 0 HG22 THR A 47 8.577 -10.720 4.978 1.00 64.03 H new ATOM 0 HG23 THR A 47 8.011 -11.544 6.451 1.00 64.03 H new ATOM 691 N ALA A 48 5.834 -11.245 3.737 1.00 0.15 N ATOM 692 CA ALA A 48 5.381 -10.056 3.025 1.00 21.45 C ATOM 693 C ALA A 48 6.275 -8.859 3.332 1.00 74.24 C ATOM 694 O ALA A 48 6.912 -8.800 4.383 1.00 22.31 O ATOM 695 CB ALA A 48 3.936 -9.744 3.385 1.00 30.40 C ATOM 0 H ALA A 48 5.198 -11.568 4.466 1.00 0.15 H new ATOM 0 HA ALA A 48 5.442 -10.257 1.956 1.00 21.45 H new ATOM 0 HB1 ALA A 48 3.611 -8.854 2.846 1.00 30.40 H new ATOM 0 HB2 ALA A 48 3.302 -10.587 3.109 1.00 30.40 H new ATOM 0 HB3 ALA A 48 3.858 -9.567 4.458 1.00 30.40 H new ATOM 701 N VAL A 49 6.317 -7.906 2.406 1.00 62.22 N ATOM 702 CA VAL A 49 7.133 -6.710 2.577 1.00 13.21 C ATOM 703 C VAL A 49 6.439 -5.484 1.995 1.00 53.33 C ATOM 704 O VAL A 49 6.031 -5.483 0.834 1.00 51.32 O ATOM 705 CB VAL A 49 8.512 -6.871 1.911 1.00 51.54 C ATOM 706 CG1 VAL A 49 9.371 -5.640 2.157 1.00 1.24 C ATOM 707 CG2 VAL A 49 9.205 -8.126 2.418 1.00 5.43 C ATOM 0 H VAL A 49 5.796 -7.939 1.530 1.00 62.22 H new ATOM 0 HA VAL A 49 7.270 -6.571 3.649 1.00 13.21 H new ATOM 0 HB VAL A 49 8.367 -6.974 0.836 1.00 51.54 H new ATOM 0 HG11 VAL A 49 10.342 -5.772 1.679 1.00 1.24 H new ATOM 0 HG12 VAL A 49 8.877 -4.762 1.739 1.00 1.24 H new ATOM 0 HG13 VAL A 49 9.510 -5.502 3.229 1.00 1.24 H new ATOM 0 HG21 VAL A 49 10.178 -8.224 1.937 1.00 5.43 H new ATOM 0 HG22 VAL A 49 9.339 -8.057 3.497 1.00 5.43 H new ATOM 0 HG23 VAL A 49 8.595 -8.998 2.184 1.00 5.43 H new ATOM 717 N GLU A 50 6.309 -4.441 2.809 1.00 31.12 N ATOM 718 CA GLU A 50 5.663 -3.208 2.374 1.00 65.22 C ATOM 719 C GLU A 50 6.564 -2.430 1.419 1.00 65.31 C ATOM 720 O GLU A 50 7.786 -2.407 1.580 1.00 75.15 O ATOM 721 CB GLU A 50 5.310 -2.338 3.581 1.00 15.34 C ATOM 722 CG GLU A 50 4.774 -0.966 3.207 1.00 40.01 C ATOM 723 CD GLU A 50 3.527 -1.041 2.348 1.00 74.20 C ATOM 724 OE1 GLU A 50 2.688 -1.932 2.598 1.00 14.24 O ATOM 725 OE2 GLU A 50 3.389 -0.211 1.426 1.00 44.41 O ATOM 0 H GLU A 50 6.642 -4.425 3.773 1.00 31.12 H new ATOM 0 HA GLU A 50 4.747 -3.474 1.847 1.00 65.22 H new ATOM 0 HB2 GLU A 50 4.567 -2.856 4.187 1.00 15.34 H new ATOM 0 HB3 GLU A 50 6.198 -2.215 4.202 1.00 15.34 H new ATOM 0 HG2 GLU A 50 4.551 -0.407 4.116 1.00 40.01 H new ATOM 0 HG3 GLU A 50 5.546 -0.412 2.673 1.00 40.01 H new ATOM 732 N LEU A 51 5.954 -1.795 0.425 1.00 41.02 N ATOM 733 CA LEU A 51 6.700 -1.016 -0.558 1.00 12.25 C ATOM 734 C LEU A 51 6.269 0.447 -0.533 1.00 53.12 C ATOM 735 O LEU A 51 5.318 0.851 -1.203 1.00 61.14 O ATOM 736 CB LEU A 51 6.497 -1.596 -1.958 1.00 51.13 C ATOM 737 CG LEU A 51 7.161 -2.947 -2.228 1.00 50.51 C ATOM 738 CD1 LEU A 51 6.467 -3.663 -3.376 1.00 41.44 C ATOM 739 CD2 LEU A 51 8.641 -2.762 -2.529 1.00 23.42 C ATOM 0 H LEU A 51 4.945 -1.804 0.278 1.00 41.02 H new ATOM 0 HA LEU A 51 7.758 -1.068 -0.300 1.00 12.25 H new ATOM 0 HB2 LEU A 51 5.426 -1.698 -2.135 1.00 51.13 H new ATOM 0 HB3 LEU A 51 6.874 -0.877 -2.685 1.00 51.13 H new ATOM 0 HG LEU A 51 7.066 -3.563 -1.333 1.00 50.51 H new ATOM 0 HD11 LEU A 51 6.953 -4.622 -3.554 1.00 41.44 H new ATOM 0 HD12 LEU A 51 5.420 -3.828 -3.122 1.00 41.44 H new ATOM 0 HD13 LEU A 51 6.530 -3.052 -4.277 1.00 41.44 H new ATOM 0 HD21 LEU A 51 9.098 -3.733 -2.719 1.00 23.42 H new ATOM 0 HD22 LEU A 51 8.757 -2.128 -3.408 1.00 23.42 H new ATOM 0 HD23 LEU A 51 9.130 -2.292 -1.676 1.00 23.42 H new ATOM 751 N PRO A 52 6.984 1.262 0.256 1.00 44.22 N ATOM 752 CA PRO A 52 6.696 2.694 0.384 1.00 21.33 C ATOM 753 C PRO A 52 7.031 3.469 -0.886 1.00 35.33 C ATOM 754 O PRO A 52 7.911 3.075 -1.651 1.00 74.51 O ATOM 755 CB PRO A 52 7.603 3.136 1.535 1.00 10.32 C ATOM 756 CG PRO A 52 8.724 2.155 1.533 1.00 42.42 C ATOM 757 CD PRO A 52 8.131 0.849 1.083 1.00 53.12 C ATOM 0 HA PRO A 52 5.637 2.883 0.560 1.00 21.33 H new ATOM 0 HB2 PRO A 52 7.966 4.153 1.385 1.00 10.32 H new ATOM 0 HB3 PRO A 52 7.070 3.126 2.486 1.00 10.32 H new ATOM 0 HG2 PRO A 52 9.520 2.474 0.861 1.00 42.42 H new ATOM 0 HG3 PRO A 52 9.163 2.062 2.526 1.00 42.42 H new ATOM 0 HD2 PRO A 52 8.847 0.259 0.511 1.00 53.12 H new ATOM 0 HD3 PRO A 52 7.817 0.238 1.929 1.00 53.12 H new ATOM 765 N ASP A 53 6.324 4.572 -1.103 1.00 54.21 N ATOM 766 CA ASP A 53 6.547 5.404 -2.280 1.00 71.42 C ATOM 767 C ASP A 53 6.224 4.635 -3.558 1.00 25.23 C ATOM 768 O ASP A 53 7.001 4.643 -4.513 1.00 3.43 O ATOM 769 CB ASP A 53 7.995 5.894 -2.317 1.00 41.31 C ATOM 770 CG ASP A 53 8.493 6.332 -0.954 1.00 11.32 C ATOM 771 OD1 ASP A 53 7.668 6.809 -0.146 1.00 61.54 O ATOM 772 OD2 ASP A 53 9.708 6.200 -0.695 1.00 35.35 O ATOM 0 H ASP A 53 5.591 4.911 -0.479 1.00 54.21 H new ATOM 0 HA ASP A 53 5.882 6.265 -2.218 1.00 71.42 H new ATOM 0 HB2 ASP A 53 8.635 5.097 -2.696 1.00 41.31 H new ATOM 0 HB3 ASP A 53 8.076 6.727 -3.015 1.00 41.31 H new ATOM 777 N VAL A 54 5.074 3.969 -3.568 1.00 13.44 N ATOM 778 CA VAL A 54 4.648 3.195 -4.727 1.00 42.14 C ATOM 779 C VAL A 54 3.180 3.449 -5.049 1.00 51.43 C ATOM 780 O VAL A 54 2.361 3.637 -4.150 1.00 3.21 O ATOM 781 CB VAL A 54 4.859 1.686 -4.503 1.00 4.01 C ATOM 782 CG1 VAL A 54 4.346 0.892 -5.694 1.00 72.22 C ATOM 783 CG2 VAL A 54 6.328 1.387 -4.245 1.00 64.53 C ATOM 0 H VAL A 54 4.420 3.950 -2.785 1.00 13.44 H new ATOM 0 HA VAL A 54 5.262 3.520 -5.567 1.00 42.14 H new ATOM 0 HB VAL A 54 4.290 1.384 -3.624 1.00 4.01 H new ATOM 0 HG11 VAL A 54 4.504 -0.172 -5.517 1.00 72.22 H new ATOM 0 HG12 VAL A 54 3.281 1.084 -5.828 1.00 72.22 H new ATOM 0 HG13 VAL A 54 4.885 1.194 -6.592 1.00 72.22 H new ATOM 0 HG21 VAL A 54 6.459 0.316 -4.089 1.00 64.53 H new ATOM 0 HG22 VAL A 54 6.920 1.704 -5.104 1.00 64.53 H new ATOM 0 HG23 VAL A 54 6.659 1.926 -3.357 1.00 64.53 H new ATOM 793 N GLN A 55 2.854 3.453 -6.338 1.00 4.41 N ATOM 794 CA GLN A 55 1.484 3.685 -6.778 1.00 71.14 C ATOM 795 C GLN A 55 0.684 2.386 -6.775 1.00 1.35 C ATOM 796 O GLN A 55 1.194 1.331 -6.395 1.00 14.44 O ATOM 797 CB GLN A 55 1.473 4.300 -8.179 1.00 11.33 C ATOM 798 CG GLN A 55 0.430 5.393 -8.355 1.00 64.52 C ATOM 799 CD GLN A 55 0.815 6.400 -9.420 1.00 45.40 C ATOM 800 OE1 GLN A 55 1.965 6.449 -9.858 1.00 43.40 O ATOM 801 NE2 GLN A 55 -0.147 7.212 -9.843 1.00 63.12 N ATOM 0 H GLN A 55 3.520 3.298 -7.095 1.00 4.41 H new ATOM 0 HA GLN A 55 1.018 4.380 -6.080 1.00 71.14 H new ATOM 0 HB2 GLN A 55 2.459 4.712 -8.394 1.00 11.33 H new ATOM 0 HB3 GLN A 55 1.290 3.513 -8.911 1.00 11.33 H new ATOM 0 HG2 GLN A 55 -0.526 4.939 -8.618 1.00 64.52 H new ATOM 0 HG3 GLN A 55 0.287 5.910 -7.406 1.00 64.52 H new ATOM 0 HE21 GLN A 55 -1.086 7.137 -9.453 1.00 63.12 H new ATOM 0 HE22 GLN A 55 0.053 7.911 -10.558 1.00 63.12 H new ATOM 810 N THR A 56 -0.573 2.470 -7.200 1.00 22.33 N ATOM 811 CA THR A 56 -1.444 1.302 -7.244 1.00 2.02 C ATOM 812 C THR A 56 -1.705 0.757 -5.844 1.00 44.41 C ATOM 813 O THR A 56 -1.833 -0.451 -5.652 1.00 72.32 O ATOM 814 CB THR A 56 -0.840 0.183 -8.113 1.00 42.23 C ATOM 815 OG1 THR A 56 -0.202 0.748 -9.265 1.00 35.43 O ATOM 816 CG2 THR A 56 -1.914 -0.800 -8.553 1.00 30.11 C ATOM 0 H THR A 56 -1.010 3.335 -7.519 1.00 22.33 H new ATOM 0 HA THR A 56 -2.386 1.627 -7.686 1.00 2.02 H new ATOM 0 HB THR A 56 -0.102 -0.353 -7.516 1.00 42.23 H new ATOM 0 HG1 THR A 56 0.181 0.030 -9.812 1.00 35.43 H new ATOM 0 HG21 THR A 56 -1.463 -1.581 -9.165 1.00 30.11 H new ATOM 0 HG22 THR A 56 -2.378 -1.250 -7.675 1.00 30.11 H new ATOM 0 HG23 THR A 56 -2.672 -0.275 -9.134 1.00 30.11 H new ATOM 824 N ALA A 57 -1.782 1.657 -4.869 1.00 54.21 N ATOM 825 CA ALA A 57 -2.031 1.266 -3.487 1.00 41.41 C ATOM 826 C ALA A 57 -2.370 2.479 -2.626 1.00 62.32 C ATOM 827 O ALA A 57 -2.081 3.622 -2.980 1.00 61.13 O ATOM 828 CB ALA A 57 -0.823 0.535 -2.920 1.00 51.11 C ATOM 0 H ALA A 57 -1.676 2.661 -5.011 1.00 54.21 H new ATOM 0 HA ALA A 57 -2.888 0.593 -3.474 1.00 41.41 H new ATOM 0 HB1 ALA A 57 -1.023 0.249 -1.887 1.00 51.11 H new ATOM 0 HB2 ALA A 57 -0.627 -0.358 -3.513 1.00 51.11 H new ATOM 0 HB3 ALA A 57 0.047 1.190 -2.953 1.00 51.11 H new ATOM 834 N PRO A 58 -2.998 2.226 -1.468 1.00 40.23 N ATOM 835 CA PRO A 58 -3.390 3.285 -0.533 1.00 60.12 C ATOM 836 C PRO A 58 -2.188 3.932 0.147 1.00 72.12 C ATOM 837 O PRO A 58 -1.875 3.627 1.298 1.00 51.42 O ATOM 838 CB PRO A 58 -4.253 2.549 0.494 1.00 35.32 C ATOM 839 CG PRO A 58 -3.782 1.136 0.443 1.00 0.50 C ATOM 840 CD PRO A 58 -3.373 0.888 -0.983 1.00 34.34 C ATOM 0 HA PRO A 58 -3.906 4.103 -1.036 1.00 60.12 H new ATOM 0 HB2 PRO A 58 -4.129 2.972 1.491 1.00 35.32 H new ATOM 0 HB3 PRO A 58 -5.312 2.622 0.246 1.00 35.32 H new ATOM 0 HG2 PRO A 58 -2.944 0.979 1.122 1.00 0.50 H new ATOM 0 HG3 PRO A 58 -4.572 0.450 0.747 1.00 0.50 H new ATOM 0 HD2 PRO A 58 -2.539 0.189 -1.046 1.00 34.34 H new ATOM 0 HD3 PRO A 58 -4.189 0.463 -1.567 1.00 34.34 H new ATOM 848 N VAL A 59 -1.518 4.827 -0.572 1.00 71.12 N ATOM 849 CA VAL A 59 -0.351 5.518 -0.037 1.00 52.44 C ATOM 850 C VAL A 59 -0.404 7.009 -0.352 1.00 1.23 C ATOM 851 O VAL A 59 -0.988 7.422 -1.353 1.00 11.51 O ATOM 852 CB VAL A 59 0.956 4.932 -0.602 1.00 24.23 C ATOM 853 CG1 VAL A 59 2.159 5.508 0.130 1.00 65.45 C ATOM 854 CG2 VAL A 59 0.942 3.413 -0.509 1.00 43.51 C ATOM 0 H VAL A 59 -1.763 5.090 -1.526 1.00 71.12 H new ATOM 0 HA VAL A 59 -0.367 5.376 1.044 1.00 52.44 H new ATOM 0 HB VAL A 59 1.034 5.208 -1.654 1.00 24.23 H new ATOM 0 HG11 VAL A 59 3.074 5.083 -0.283 1.00 65.45 H new ATOM 0 HG12 VAL A 59 2.175 6.591 0.008 1.00 65.45 H new ATOM 0 HG13 VAL A 59 2.091 5.264 1.190 1.00 65.45 H new ATOM 0 HG21 VAL A 59 1.873 3.015 -0.913 1.00 43.51 H new ATOM 0 HG22 VAL A 59 0.841 3.113 0.534 1.00 43.51 H new ATOM 0 HG23 VAL A 59 0.102 3.021 -1.082 1.00 43.51 H new ATOM 864 N ALA A 60 0.211 7.812 0.510 1.00 10.24 N ATOM 865 CA ALA A 60 0.237 9.258 0.324 1.00 75.45 C ATOM 866 C ALA A 60 0.717 9.622 -1.077 1.00 73.43 C ATOM 867 O ALA A 60 1.201 8.767 -1.818 1.00 63.02 O ATOM 868 CB ALA A 60 1.123 9.910 1.374 1.00 64.13 C ATOM 0 H ALA A 60 0.698 7.486 1.345 1.00 10.24 H new ATOM 0 HA ALA A 60 -0.780 9.633 0.440 1.00 75.45 H new ATOM 0 HB1 ALA A 60 1.133 10.989 1.223 1.00 64.13 H new ATOM 0 HB2 ALA A 60 0.734 9.686 2.368 1.00 64.13 H new ATOM 0 HB3 ALA A 60 2.138 9.522 1.286 1.00 64.13 H new ATOM 874 N GLU A 61 0.578 10.895 -1.433 1.00 70.13 N ATOM 875 CA GLU A 61 0.997 11.370 -2.747 1.00 12.23 C ATOM 876 C GLU A 61 2.436 10.958 -3.041 1.00 23.31 C ATOM 877 O GLU A 61 3.311 11.055 -2.180 1.00 3.42 O ATOM 878 CB GLU A 61 0.864 12.892 -2.829 1.00 51.21 C ATOM 879 CG GLU A 61 1.590 13.628 -1.715 1.00 61.14 C ATOM 880 CD GLU A 61 0.695 13.914 -0.525 1.00 25.20 C ATOM 881 OE1 GLU A 61 -0.460 14.335 -0.738 1.00 53.43 O ATOM 882 OE2 GLU A 61 1.152 13.715 0.621 1.00 50.45 O ATOM 0 H GLU A 61 0.179 11.615 -0.831 1.00 70.13 H new ATOM 0 HA GLU A 61 0.347 10.914 -3.494 1.00 12.23 H new ATOM 0 HB2 GLU A 61 1.252 13.231 -3.790 1.00 51.21 H new ATOM 0 HB3 GLU A 61 -0.193 13.158 -2.800 1.00 51.21 H new ATOM 0 HG2 GLU A 61 2.444 13.034 -1.388 1.00 61.14 H new ATOM 0 HG3 GLU A 61 1.985 14.567 -2.102 1.00 61.14 H new ATOM 889 N THR A 62 2.675 10.495 -4.264 1.00 51.13 N ATOM 890 CA THR A 62 4.006 10.066 -4.673 1.00 24.12 C ATOM 891 C THR A 62 4.129 10.026 -6.192 1.00 3.13 C ATOM 892 O THR A 62 3.127 9.989 -6.905 1.00 53.51 O ATOM 893 CB THR A 62 4.347 8.675 -4.105 1.00 2.21 C ATOM 894 OG1 THR A 62 3.850 8.557 -2.767 1.00 70.13 O ATOM 895 CG2 THR A 62 5.850 8.440 -4.115 1.00 61.14 C ATOM 0 H THR A 62 1.963 10.408 -4.989 1.00 51.13 H new ATOM 0 HA THR A 62 4.710 10.796 -4.274 1.00 24.12 H new ATOM 0 HB THR A 62 3.873 7.923 -4.736 1.00 2.21 H new ATOM 0 HG1 THR A 62 3.955 9.413 -2.302 1.00 70.13 H new ATOM 0 HG21 THR A 62 6.066 7.452 -3.709 1.00 61.14 H new ATOM 0 HG22 THR A 62 6.221 8.502 -5.138 1.00 61.14 H new ATOM 0 HG23 THR A 62 6.341 9.198 -3.505 1.00 61.14 H new ATOM 903 N VAL A 63 5.365 10.033 -6.681 1.00 62.12 N ATOM 904 CA VAL A 63 5.619 9.996 -8.116 1.00 62.34 C ATOM 905 C VAL A 63 6.743 9.021 -8.451 1.00 33.24 C ATOM 906 O VAL A 63 7.764 8.976 -7.766 1.00 15.14 O ATOM 907 CB VAL A 63 5.986 11.390 -8.658 1.00 5.12 C ATOM 908 CG1 VAL A 63 7.326 11.844 -8.099 1.00 1.34 C ATOM 909 CG2 VAL A 63 6.010 11.382 -10.179 1.00 34.52 C ATOM 0 H VAL A 63 6.206 10.064 -6.104 1.00 62.12 H new ATOM 0 HA VAL A 63 4.697 9.661 -8.591 1.00 62.34 H new ATOM 0 HB VAL A 63 5.224 12.098 -8.333 1.00 5.12 H new ATOM 0 HG11 VAL A 63 7.569 12.831 -8.493 1.00 1.34 H new ATOM 0 HG12 VAL A 63 7.269 11.891 -7.011 1.00 1.34 H new ATOM 0 HG13 VAL A 63 8.101 11.136 -8.392 1.00 1.34 H new ATOM 0 HG21 VAL A 63 6.271 12.375 -10.544 1.00 34.52 H new ATOM 0 HG22 VAL A 63 6.750 10.661 -10.527 1.00 34.52 H new ATOM 0 HG23 VAL A 63 5.026 11.104 -10.557 1.00 34.52 H new ATOM 919 N ASN A 64 6.547 8.241 -9.509 1.00 51.10 N ATOM 920 CA ASN A 64 7.544 7.266 -9.935 1.00 21.21 C ATOM 921 C ASN A 64 7.138 6.613 -11.253 1.00 23.24 C ATOM 922 O ASN A 64 5.964 6.619 -11.626 1.00 24.13 O ATOM 923 CB ASN A 64 7.732 6.195 -8.859 1.00 23.34 C ATOM 924 CG ASN A 64 8.917 5.292 -9.143 1.00 20.44 C ATOM 925 OD1 ASN A 64 8.795 4.067 -9.130 1.00 71.34 O ATOM 926 ND2 ASN A 64 10.072 5.894 -9.400 1.00 51.50 N ATOM 0 H ASN A 64 5.707 8.265 -10.087 1.00 51.10 H new ATOM 0 HA ASN A 64 8.488 7.790 -10.085 1.00 21.21 H new ATOM 0 HB2 ASN A 64 7.869 6.677 -7.891 1.00 23.34 H new ATOM 0 HB3 ASN A 64 6.827 5.591 -8.789 1.00 23.34 H new ATOM 0 HD21 ASN A 64 10.904 5.338 -9.597 1.00 51.50 H new ATOM 0 HD22 ASN A 64 10.127 6.913 -9.400 1.00 51.50 H new ATOM 933 N LEU A 65 8.116 6.050 -11.953 1.00 64.42 N ATOM 934 CA LEU A 65 7.862 5.391 -13.230 1.00 30.02 C ATOM 935 C LEU A 65 8.702 4.125 -13.366 1.00 73.02 C ATOM 936 O LEU A 65 9.882 4.111 -13.017 1.00 30.32 O ATOM 937 CB LEU A 65 8.164 6.344 -14.387 1.00 43.41 C ATOM 938 CG LEU A 65 7.542 5.982 -15.736 1.00 33.52 C ATOM 939 CD1 LEU A 65 6.121 6.517 -15.829 1.00 63.23 C ATOM 940 CD2 LEU A 65 8.392 6.519 -16.878 1.00 23.44 C ATOM 0 H LEU A 65 9.092 6.036 -11.658 1.00 64.42 H new ATOM 0 HA LEU A 65 6.809 5.111 -13.263 1.00 30.02 H new ATOM 0 HB2 LEU A 65 7.823 7.341 -14.108 1.00 43.41 H new ATOM 0 HB3 LEU A 65 9.245 6.400 -14.512 1.00 43.41 H new ATOM 0 HG LEU A 65 7.506 4.896 -15.817 1.00 33.52 H new ATOM 0 HD11 LEU A 65 5.694 6.250 -16.796 1.00 63.23 H new ATOM 0 HD12 LEU A 65 5.516 6.083 -15.033 1.00 63.23 H new ATOM 0 HD13 LEU A 65 6.133 7.602 -15.725 1.00 63.23 H new ATOM 0 HD21 LEU A 65 7.933 6.251 -17.830 1.00 23.44 H new ATOM 0 HD22 LEU A 65 8.461 7.604 -16.801 1.00 23.44 H new ATOM 0 HD23 LEU A 65 9.391 6.087 -16.822 1.00 23.44 H new ATOM 952 N TRP A 66 8.086 3.066 -13.878 1.00 70.51 N ATOM 953 CA TRP A 66 8.778 1.795 -14.063 1.00 31.10 C ATOM 954 C TRP A 66 8.126 0.977 -15.172 1.00 62.41 C ATOM 955 O TRP A 66 7.150 1.410 -15.783 1.00 41.30 O ATOM 956 CB TRP A 66 8.780 0.997 -12.758 1.00 2.32 C ATOM 957 CG TRP A 66 7.418 0.524 -12.348 1.00 42.33 C ATOM 958 CD1 TRP A 66 6.787 -0.614 -12.762 1.00 40.35 C ATOM 959 CD2 TRP A 66 6.519 1.178 -11.446 1.00 5.32 C ATOM 960 NE1 TRP A 66 5.550 -0.707 -12.172 1.00 11.43 N ATOM 961 CE2 TRP A 66 5.362 0.380 -11.359 1.00 22.21 C ATOM 962 CE3 TRP A 66 6.580 2.359 -10.701 1.00 43.22 C ATOM 963 CZ2 TRP A 66 4.277 0.727 -10.558 1.00 63.23 C ATOM 964 CZ3 TRP A 66 5.503 2.702 -9.907 1.00 54.34 C ATOM 965 CH2 TRP A 66 4.364 1.888 -9.840 1.00 51.52 C ATOM 0 H TRP A 66 7.109 3.062 -14.172 1.00 70.51 H new ATOM 0 HA TRP A 66 9.807 2.009 -14.352 1.00 31.10 H new ATOM 0 HB2 TRP A 66 9.438 0.135 -12.869 1.00 2.32 H new ATOM 0 HB3 TRP A 66 9.196 1.616 -11.963 1.00 2.32 H new ATOM 0 HD1 TRP A 66 7.200 -1.335 -13.452 1.00 40.35 H new ATOM 0 HE1 TRP A 66 4.880 -1.463 -12.316 1.00 11.43 H new ATOM 0 HE3 TRP A 66 7.454 2.992 -10.745 1.00 43.22 H new ATOM 0 HZ2 TRP A 66 3.398 0.102 -10.506 1.00 63.23 H new ATOM 0 HZ3 TRP A 66 5.539 3.613 -9.328 1.00 54.34 H new ATOM 0 HH2 TRP A 66 3.539 2.183 -9.209 1.00 51.52 H new ATOM 976 N GLU A 67 8.672 -0.208 -15.427 1.00 23.55 N ATOM 977 CA GLU A 67 8.143 -1.086 -16.464 1.00 34.25 C ATOM 978 C GLU A 67 8.931 -2.392 -16.526 1.00 55.52 C ATOM 979 O GLU A 67 10.153 -2.385 -16.669 1.00 23.43 O ATOM 980 CB GLU A 67 8.183 -0.387 -17.824 1.00 62.31 C ATOM 981 CG GLU A 67 9.494 0.330 -18.101 1.00 14.52 C ATOM 982 CD GLU A 67 9.544 0.939 -19.489 1.00 33.12 C ATOM 983 OE1 GLU A 67 8.493 0.963 -20.163 1.00 51.44 O ATOM 984 OE2 GLU A 67 10.633 1.390 -19.901 1.00 32.14 O ATOM 0 H GLU A 67 9.480 -0.582 -14.930 1.00 23.55 H new ATOM 0 HA GLU A 67 7.108 -1.319 -16.214 1.00 34.25 H new ATOM 0 HB2 GLU A 67 8.009 -1.125 -18.608 1.00 62.31 H new ATOM 0 HB3 GLU A 67 7.366 0.333 -17.877 1.00 62.31 H new ATOM 0 HG2 GLU A 67 9.638 1.115 -17.359 1.00 14.52 H new ATOM 0 HG3 GLU A 67 10.319 -0.373 -17.987 1.00 14.52 H new ATOM 991 N VAL A 68 8.221 -3.510 -16.418 1.00 73.21 N ATOM 992 CA VAL A 68 8.852 -4.824 -16.463 1.00 1.41 C ATOM 993 C VAL A 68 7.843 -5.906 -16.828 1.00 71.32 C ATOM 994 O VAL A 68 6.835 -6.084 -16.146 1.00 13.14 O ATOM 995 CB VAL A 68 9.504 -5.179 -15.114 1.00 22.24 C ATOM 996 CG1 VAL A 68 8.486 -5.085 -13.987 1.00 62.22 C ATOM 997 CG2 VAL A 68 10.122 -6.568 -15.170 1.00 70.15 C ATOM 0 H VAL A 68 7.208 -3.532 -16.299 1.00 73.21 H new ATOM 0 HA VAL A 68 9.624 -4.778 -17.231 1.00 1.41 H new ATOM 0 HB VAL A 68 10.299 -4.460 -14.915 1.00 22.24 H new ATOM 0 HG11 VAL A 68 8.965 -5.339 -13.042 1.00 62.22 H new ATOM 0 HG12 VAL A 68 8.095 -4.069 -13.934 1.00 62.22 H new ATOM 0 HG13 VAL A 68 7.668 -5.779 -14.177 1.00 62.22 H new ATOM 0 HG21 VAL A 68 10.578 -6.802 -14.208 1.00 70.15 H new ATOM 0 HG22 VAL A 68 9.348 -7.302 -15.393 1.00 70.15 H new ATOM 0 HG23 VAL A 68 10.884 -6.596 -15.949 1.00 70.15 H new ATOM 1007 N GLU A 69 8.122 -6.628 -17.909 1.00 43.33 N ATOM 1008 CA GLU A 69 7.238 -7.694 -18.365 1.00 52.53 C ATOM 1009 C GLU A 69 8.027 -8.787 -19.080 1.00 54.33 C ATOM 1010 O GLU A 69 8.882 -8.503 -19.920 1.00 13.12 O ATOM 1011 CB GLU A 69 6.164 -7.131 -19.299 1.00 12.13 C ATOM 1012 CG GLU A 69 4.897 -7.968 -19.344 1.00 31.53 C ATOM 1013 CD GLU A 69 4.017 -7.761 -18.126 1.00 52.24 C ATOM 1014 OE1 GLU A 69 3.563 -6.617 -17.912 1.00 34.43 O ATOM 1015 OE2 GLU A 69 3.782 -8.741 -17.389 1.00 5.32 O ATOM 0 H GLU A 69 8.953 -6.494 -18.485 1.00 43.33 H new ATOM 0 HA GLU A 69 6.756 -8.131 -17.490 1.00 52.53 H new ATOM 0 HB2 GLU A 69 5.910 -6.120 -18.980 1.00 12.13 H new ATOM 0 HB3 GLU A 69 6.574 -7.054 -20.306 1.00 12.13 H new ATOM 0 HG2 GLU A 69 4.332 -7.718 -20.242 1.00 31.53 H new ATOM 0 HG3 GLU A 69 5.165 -9.022 -19.419 1.00 31.53 H new ATOM 1022 N HIS A 70 7.734 -10.038 -18.741 1.00 34.12 N ATOM 1023 CA HIS A 70 8.415 -11.175 -19.350 1.00 11.03 C ATOM 1024 C HIS A 70 7.476 -12.372 -19.467 1.00 1.02 C ATOM 1025 O HIS A 70 6.328 -12.319 -19.026 1.00 14.35 O ATOM 1026 CB HIS A 70 9.647 -11.557 -18.529 1.00 44.05 C ATOM 1027 CG HIS A 70 9.348 -11.821 -17.086 1.00 31.11 C ATOM 1028 ND1 HIS A 70 9.247 -10.820 -16.143 1.00 30.11 N ATOM 1029 CD2 HIS A 70 9.125 -12.982 -16.426 1.00 1.41 C ATOM 1030 CE1 HIS A 70 8.977 -11.354 -14.965 1.00 11.31 C ATOM 1031 NE2 HIS A 70 8.897 -12.664 -15.109 1.00 63.25 N ATOM 0 H HIS A 70 7.030 -10.290 -18.048 1.00 34.12 H new ATOM 0 HA HIS A 70 8.731 -10.884 -20.352 1.00 11.03 H new ATOM 0 HB2 HIS A 70 10.103 -12.446 -18.965 1.00 44.05 H new ATOM 0 HB3 HIS A 70 10.382 -10.755 -18.598 1.00 44.05 H new ATOM 0 HD2 HIS A 70 9.126 -13.973 -16.855 1.00 1.41 H new ATOM 0 HE1 HIS A 70 8.844 -10.811 -14.041 1.00 11.31 H new ATOM 0 HE2 HIS A 70 8.698 -13.331 -14.364 1.00 63.25 H new ATOM 1039 N HIS A 71 7.972 -13.451 -20.065 1.00 11.42 N ATOM 1040 CA HIS A 71 7.177 -14.661 -20.240 1.00 40.01 C ATOM 1041 C HIS A 71 7.602 -15.739 -19.248 1.00 5.24 C ATOM 1042 O HIS A 71 8.706 -16.278 -19.338 1.00 1.15 O ATOM 1043 CB HIS A 71 7.315 -15.185 -21.670 1.00 2.31 C ATOM 1044 CG HIS A 71 6.561 -14.375 -22.680 1.00 20.54 C ATOM 1045 ND1 HIS A 71 5.185 -14.383 -22.774 1.00 44.32 N ATOM 1046 CD2 HIS A 71 6.998 -13.529 -23.641 1.00 63.12 C ATOM 1047 CE1 HIS A 71 4.809 -13.577 -23.751 1.00 62.24 C ATOM 1048 NE2 HIS A 71 5.890 -13.046 -24.293 1.00 65.33 N ATOM 0 H HIS A 71 8.920 -13.512 -20.436 1.00 11.42 H new ATOM 0 HA HIS A 71 6.133 -14.410 -20.052 1.00 40.01 H new ATOM 0 HB2 HIS A 71 8.370 -15.200 -21.943 1.00 2.31 H new ATOM 0 HB3 HIS A 71 6.962 -16.216 -21.706 1.00 2.31 H new ATOM 0 HD2 HIS A 71 8.027 -13.280 -23.856 1.00 63.12 H new ATOM 0 HE1 HIS A 71 3.791 -13.385 -24.055 1.00 62.24 H new ATOM 0 HE2 HIS A 71 5.900 -12.385 -25.070 1.00 65.33 H new TER 1056 HIS A 71