USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 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+ -165:sc= -0.162 (180deg=-0.564) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 7 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.18) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 90:sc= -0.0944 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -41:sc= 0.739 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 33 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.99) USER MOD Single : A 47 THR OG1 : rot -162:sc= -0.827 USER MOD Single : A 55 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 40:sc= 0.997 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.0845 X(o=-0.085,f=-0.003) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.033 0.073 0.344 1.00 71.32 N ATOM 2 CA MET A 1 4.047 0.152 -0.701 1.00 5.23 C ATOM 3 C MET A 1 5.201 -0.804 -0.412 1.00 52.51 C ATOM 4 O MET A 1 6.355 -0.387 -0.310 1.00 61.44 O ATOM 5 CB MET A 1 4.574 1.583 -0.822 1.00 50.51 C ATOM 6 CG MET A 1 3.477 2.636 -0.827 1.00 43.03 C ATOM 7 SD MET A 1 2.383 2.492 -2.253 1.00 42.22 S ATOM 8 CE MET A 1 0.813 2.950 -1.523 1.00 21.11 C ATOM 0 H1 MET A 1 2.157 0.526 0.013 1.00 71.32 H new ATOM 0 H2 MET A 1 2.844 -0.924 0.569 1.00 71.32 H new ATOM 0 H3 MET A 1 3.374 0.562 1.196 1.00 71.32 H new ATOM 0 HA MET A 1 3.585 -0.139 -1.644 1.00 5.23 H new ATOM 0 HB2 MET A 1 5.254 1.782 0.006 1.00 50.51 H new ATOM 0 HB3 MET A 1 5.155 1.671 -1.740 1.00 50.51 H new ATOM 0 HG2 MET A 1 2.890 2.548 0.087 1.00 43.03 H new ATOM 0 HG3 MET A 1 3.930 3.627 -0.820 1.00 43.03 H new ATOM 0 HE1 MET A 1 0.033 2.909 -2.283 1.00 21.11 H new ATOM 0 HE2 MET A 1 0.571 2.258 -0.717 1.00 21.11 H new ATOM 0 HE3 MET A 1 0.879 3.962 -1.125 1.00 21.11 H new ATOM 18 N LYS A 2 4.881 -2.087 -0.281 1.00 4.52 N ATOM 19 CA LYS A 2 5.890 -3.102 -0.005 1.00 23.32 C ATOM 20 C LYS A 2 6.155 -3.956 -1.241 1.00 21.12 C ATOM 21 O LYS A 2 5.276 -4.135 -2.085 1.00 24.10 O ATOM 22 CB LYS A 2 5.443 -3.993 1.157 1.00 51.43 C ATOM 23 CG LYS A 2 4.243 -4.863 0.828 1.00 35.43 C ATOM 24 CD LYS A 2 3.470 -5.243 2.080 1.00 14.13 C ATOM 25 CE LYS A 2 2.073 -5.742 1.743 1.00 30.03 C ATOM 26 NZ LYS A 2 1.420 -6.395 2.912 1.00 64.12 N ATOM 0 H LYS A 2 3.931 -2.448 -0.362 1.00 4.52 H new ATOM 0 HA LYS A 2 6.814 -2.594 0.269 1.00 23.32 H new ATOM 0 HB2 LYS A 2 6.274 -4.632 1.455 1.00 51.43 H new ATOM 0 HB3 LYS A 2 5.202 -3.364 2.014 1.00 51.43 H new ATOM 0 HG2 LYS A 2 3.585 -4.332 0.140 1.00 35.43 H new ATOM 0 HG3 LYS A 2 4.576 -5.766 0.317 1.00 35.43 H new ATOM 0 HD2 LYS A 2 4.013 -6.017 2.623 1.00 14.13 H new ATOM 0 HD3 LYS A 2 3.399 -4.379 2.741 1.00 14.13 H new ATOM 0 HE2 LYS A 2 1.461 -4.906 1.405 1.00 30.03 H new ATOM 0 HE3 LYS A 2 2.130 -6.450 0.916 1.00 30.03 H new ATOM 0 HZ1 LYS A 2 0.470 -6.721 2.642 1.00 64.12 H new ATOM 0 HZ2 LYS A 2 1.991 -7.208 3.219 1.00 64.12 H new ATOM 0 HZ3 LYS A 2 1.342 -5.712 3.692 1.00 64.12 H new ATOM 40 N THR A 3 7.372 -4.483 -1.341 1.00 54.12 N ATOM 41 CA THR A 3 7.752 -5.318 -2.473 1.00 72.15 C ATOM 42 C THR A 3 8.668 -6.455 -2.035 1.00 40.21 C ATOM 43 O THR A 3 9.321 -6.373 -0.995 1.00 5.21 O ATOM 44 CB THR A 3 8.460 -4.495 -3.566 1.00 2.01 C ATOM 45 OG1 THR A 3 8.876 -5.354 -4.634 1.00 4.53 O ATOM 46 CG2 THR A 3 9.667 -3.765 -2.996 1.00 51.40 C ATOM 0 H THR A 3 8.111 -4.346 -0.651 1.00 54.12 H new ATOM 0 HA THR A 3 6.831 -5.734 -2.882 1.00 72.15 H new ATOM 0 HB THR A 3 7.755 -3.756 -3.948 1.00 2.01 H new ATOM 0 HG1 THR A 3 9.324 -4.823 -5.325 1.00 4.53 H new ATOM 0 HG21 THR A 3 10.151 -3.191 -3.786 1.00 51.40 H new ATOM 0 HG22 THR A 3 9.343 -3.091 -2.203 1.00 51.40 H new ATOM 0 HG23 THR A 3 10.372 -4.490 -2.590 1.00 51.40 H new ATOM 54 N PHE A 4 8.712 -7.515 -2.835 1.00 61.01 N ATOM 55 CA PHE A 4 9.549 -8.669 -2.529 1.00 60.30 C ATOM 56 C PHE A 4 11.014 -8.376 -2.837 1.00 44.31 C ATOM 57 O PHE A 4 11.370 -8.063 -3.973 1.00 24.31 O ATOM 58 CB PHE A 4 9.083 -9.889 -3.326 1.00 62.42 C ATOM 59 CG PHE A 4 7.593 -10.080 -3.315 1.00 3.14 C ATOM 60 CD1 PHE A 4 6.915 -10.264 -2.121 1.00 15.23 C ATOM 61 CD2 PHE A 4 6.872 -10.074 -4.497 1.00 73.53 C ATOM 62 CE1 PHE A 4 5.544 -10.440 -2.107 1.00 72.14 C ATOM 63 CE2 PHE A 4 5.501 -10.250 -4.490 1.00 54.12 C ATOM 64 CZ PHE A 4 4.836 -10.432 -3.293 1.00 52.14 C ATOM 0 H PHE A 4 8.178 -7.599 -3.700 1.00 61.01 H new ATOM 0 HA PHE A 4 9.456 -8.882 -1.464 1.00 60.30 H new ATOM 0 HB2 PHE A 4 9.421 -9.790 -4.358 1.00 62.42 H new ATOM 0 HB3 PHE A 4 9.559 -10.782 -2.920 1.00 62.42 H new ATOM 0 HD1 PHE A 4 7.464 -10.270 -1.191 1.00 15.23 H new ATOM 0 HD2 PHE A 4 7.387 -9.930 -5.435 1.00 73.53 H new ATOM 0 HE1 PHE A 4 5.027 -10.584 -1.170 1.00 72.14 H new ATOM 0 HE2 PHE A 4 4.950 -10.245 -5.419 1.00 54.12 H new ATOM 0 HZ PHE A 4 3.765 -10.568 -3.284 1.00 52.14 H new ATOM 74 N ALA A 5 11.859 -8.478 -1.816 1.00 44.04 N ATOM 75 CA ALA A 5 13.286 -8.225 -1.977 1.00 72.14 C ATOM 76 C ALA A 5 13.977 -9.398 -2.665 1.00 0.30 C ATOM 77 O ALA A 5 14.067 -10.492 -2.107 1.00 65.22 O ATOM 78 CB ALA A 5 13.929 -7.950 -0.626 1.00 53.41 C ATOM 0 H ALA A 5 11.580 -8.734 -0.869 1.00 44.04 H new ATOM 0 HA ALA A 5 13.405 -7.345 -2.609 1.00 72.14 H new ATOM 0 HB1 ALA A 5 14.994 -7.763 -0.761 1.00 53.41 H new ATOM 0 HB2 ALA A 5 13.462 -7.076 -0.172 1.00 53.41 H new ATOM 0 HB3 ALA A 5 13.792 -8.814 0.025 1.00 53.41 H new ATOM 84 N LEU A 6 14.463 -9.163 -3.879 1.00 12.32 N ATOM 85 CA LEU A 6 15.146 -10.200 -4.644 1.00 30.34 C ATOM 86 C LEU A 6 16.645 -9.929 -4.711 1.00 44.33 C ATOM 87 O LEU A 6 17.142 -8.982 -4.102 1.00 52.31 O ATOM 88 CB LEU A 6 14.567 -10.284 -6.057 1.00 20.30 C ATOM 89 CG LEU A 6 13.070 -10.582 -6.153 1.00 2.14 C ATOM 90 CD1 LEU A 6 12.341 -9.436 -6.835 1.00 54.54 C ATOM 91 CD2 LEU A 6 12.833 -11.887 -6.898 1.00 35.10 C ATOM 0 H LEU A 6 14.397 -8.263 -4.355 1.00 12.32 H new ATOM 0 HA LEU A 6 14.990 -11.153 -4.138 1.00 30.34 H new ATOM 0 HB2 LEU A 6 14.762 -9.339 -6.565 1.00 20.30 H new ATOM 0 HB3 LEU A 6 15.107 -11.057 -6.604 1.00 20.30 H new ATOM 0 HG LEU A 6 12.674 -10.687 -5.143 1.00 2.14 H new ATOM 0 HD11 LEU A 6 11.277 -9.666 -6.894 1.00 54.54 H new ATOM 0 HD12 LEU A 6 12.483 -8.521 -6.260 1.00 54.54 H new ATOM 0 HD13 LEU A 6 12.739 -9.298 -7.840 1.00 54.54 H new ATOM 0 HD21 LEU A 6 11.762 -12.083 -6.957 1.00 35.10 H new ATOM 0 HD22 LEU A 6 13.244 -11.811 -7.905 1.00 35.10 H new ATOM 0 HD23 LEU A 6 13.323 -12.703 -6.367 1.00 35.10 H new ATOM 103 N GLN A 7 17.360 -10.765 -5.458 1.00 12.23 N ATOM 104 CA GLN A 7 18.802 -10.613 -5.606 1.00 25.31 C ATOM 105 C GLN A 7 19.161 -9.190 -6.019 1.00 13.41 C ATOM 106 O GLN A 7 18.667 -8.681 -7.024 1.00 75.23 O ATOM 107 CB GLN A 7 19.337 -11.607 -6.639 1.00 4.51 C ATOM 108 CG GLN A 7 18.793 -11.379 -8.040 1.00 62.30 C ATOM 109 CD GLN A 7 18.483 -12.675 -8.763 1.00 62.30 C ATOM 110 OE1 GLN A 7 17.804 -13.551 -8.227 1.00 72.32 O ATOM 111 NE2 GLN A 7 18.981 -12.804 -9.987 1.00 72.04 N ATOM 0 H GLN A 7 16.964 -11.554 -5.969 1.00 12.23 H new ATOM 0 HA GLN A 7 19.264 -10.818 -4.640 1.00 25.31 H new ATOM 0 HB2 GLN A 7 20.425 -11.541 -6.665 1.00 4.51 H new ATOM 0 HB3 GLN A 7 19.087 -12.619 -6.321 1.00 4.51 H new ATOM 0 HG2 GLN A 7 17.888 -10.775 -7.980 1.00 62.30 H new ATOM 0 HG3 GLN A 7 19.519 -10.809 -8.619 1.00 62.30 H new ATOM 0 HE21 GLN A 7 19.539 -12.052 -10.393 1.00 72.04 H new ATOM 0 HE22 GLN A 7 18.806 -13.655 -10.522 1.00 72.04 H new ATOM 120 N GLY A 8 20.024 -8.550 -5.235 1.00 31.40 N ATOM 121 CA GLY A 8 20.433 -7.191 -5.536 1.00 1.13 C ATOM 122 C GLY A 8 19.296 -6.199 -5.395 1.00 11.41 C ATOM 123 O GLY A 8 19.361 -5.090 -5.926 1.00 5.34 O ATOM 0 H GLY A 8 20.447 -8.949 -4.397 1.00 31.40 H new ATOM 0 HA2 GLY A 8 21.246 -6.904 -4.870 1.00 1.13 H new ATOM 0 HA3 GLY A 8 20.824 -7.149 -6.553 1.00 1.13 H new ATOM 127 N ASP A 9 18.250 -6.598 -4.680 1.00 10.43 N ATOM 128 CA ASP A 9 17.093 -5.735 -4.471 1.00 75.33 C ATOM 129 C ASP A 9 16.787 -5.586 -2.984 1.00 43.51 C ATOM 130 O ASP A 9 15.652 -5.306 -2.597 1.00 2.22 O ATOM 131 CB ASP A 9 15.872 -6.299 -5.201 1.00 1.31 C ATOM 132 CG ASP A 9 15.871 -5.956 -6.678 1.00 1.24 C ATOM 133 OD1 ASP A 9 16.650 -5.066 -7.081 1.00 73.41 O ATOM 134 OD2 ASP A 9 15.092 -6.577 -7.430 1.00 64.41 O ATOM 0 H ASP A 9 18.179 -7.513 -4.235 1.00 10.43 H new ATOM 0 HA ASP A 9 17.327 -4.750 -4.876 1.00 75.33 H new ATOM 0 HB2 ASP A 9 15.850 -7.382 -5.083 1.00 1.31 H new ATOM 0 HB3 ASP A 9 14.965 -5.909 -4.740 1.00 1.31 H new ATOM 139 N THR A 10 17.808 -5.775 -2.154 1.00 0.35 N ATOM 140 CA THR A 10 17.649 -5.663 -0.709 1.00 71.02 C ATOM 141 C THR A 10 17.469 -4.209 -0.287 1.00 22.55 C ATOM 142 O THR A 10 17.492 -3.303 -1.120 1.00 14.42 O ATOM 143 CB THR A 10 18.859 -6.257 0.037 1.00 53.12 C ATOM 144 OG1 THR A 10 19.968 -5.355 -0.033 1.00 45.41 O ATOM 145 CG2 THR A 10 19.253 -7.601 -0.556 1.00 23.21 C ATOM 0 H THR A 10 18.754 -6.006 -2.458 1.00 0.35 H new ATOM 0 HA THR A 10 16.755 -6.228 -0.444 1.00 71.02 H new ATOM 0 HB THR A 10 18.578 -6.406 1.080 1.00 53.12 H new ATOM 0 HG1 THR A 10 20.733 -5.739 0.445 1.00 45.41 H new ATOM 0 HG21 THR A 10 20.109 -8.001 -0.013 1.00 23.21 H new ATOM 0 HG22 THR A 10 18.416 -8.294 -0.475 1.00 23.21 H new ATOM 0 HG23 THR A 10 19.517 -7.472 -1.606 1.00 23.21 H new ATOM 153 N LEU A 11 17.292 -3.994 1.012 1.00 14.41 N ATOM 154 CA LEU A 11 17.109 -2.648 1.546 1.00 33.41 C ATOM 155 C LEU A 11 18.187 -1.704 1.025 1.00 62.23 C ATOM 156 O LEU A 11 17.906 -0.558 0.673 1.00 30.40 O ATOM 157 CB LEU A 11 17.136 -2.677 3.075 1.00 21.43 C ATOM 158 CG LEU A 11 15.958 -3.377 3.755 1.00 42.14 C ATOM 159 CD1 LEU A 11 16.276 -3.661 5.214 1.00 12.25 C ATOM 160 CD2 LEU A 11 14.697 -2.534 3.635 1.00 33.24 C ATOM 0 H LEU A 11 17.271 -4.733 1.715 1.00 14.41 H new ATOM 0 HA LEU A 11 16.139 -2.280 1.213 1.00 33.41 H new ATOM 0 HB2 LEU A 11 18.056 -3.167 3.393 1.00 21.43 H new ATOM 0 HB3 LEU A 11 17.180 -1.650 3.437 1.00 21.43 H new ATOM 0 HG LEU A 11 15.784 -4.328 3.252 1.00 42.14 H new ATOM 0 HD11 LEU A 11 15.426 -4.159 5.681 1.00 12.25 H new ATOM 0 HD12 LEU A 11 17.153 -4.305 5.277 1.00 12.25 H new ATOM 0 HD13 LEU A 11 16.476 -2.723 5.732 1.00 12.25 H new ATOM 0 HD21 LEU A 11 13.869 -3.047 4.124 1.00 33.24 H new ATOM 0 HD22 LEU A 11 14.858 -1.568 4.113 1.00 33.24 H new ATOM 0 HD23 LEU A 11 14.459 -2.383 2.582 1.00 33.24 H new ATOM 172 N ASP A 12 19.421 -2.194 0.976 1.00 42.34 N ATOM 173 CA ASP A 12 20.542 -1.395 0.494 1.00 50.23 C ATOM 174 C ASP A 12 20.253 -0.835 -0.896 1.00 33.23 C ATOM 175 O ASP A 12 20.640 0.288 -1.216 1.00 61.02 O ATOM 176 CB ASP A 12 21.819 -2.236 0.463 1.00 42.43 C ATOM 177 CG ASP A 12 22.901 -1.614 -0.399 1.00 73.21 C ATOM 178 OD1 ASP A 12 22.925 -1.897 -1.615 1.00 25.11 O ATOM 179 OD2 ASP A 12 23.723 -0.846 0.143 1.00 51.45 O ATOM 0 H ASP A 12 19.670 -3.140 1.264 1.00 42.34 H new ATOM 0 HA ASP A 12 20.682 -0.560 1.180 1.00 50.23 H new ATOM 0 HB2 ASP A 12 22.194 -2.359 1.479 1.00 42.43 H new ATOM 0 HB3 ASP A 12 21.586 -3.232 0.086 1.00 42.43 H new ATOM 184 N ALA A 13 19.570 -1.627 -1.717 1.00 4.14 N ATOM 185 CA ALA A 13 19.229 -1.210 -3.071 1.00 34.30 C ATOM 186 C ALA A 13 17.910 -0.445 -3.094 1.00 34.53 C ATOM 187 O ALA A 13 17.841 0.676 -3.597 1.00 15.43 O ATOM 188 CB ALA A 13 19.156 -2.419 -3.992 1.00 41.14 C ATOM 0 H ALA A 13 19.242 -2.560 -1.468 1.00 4.14 H new ATOM 0 HA ALA A 13 20.013 -0.542 -3.427 1.00 34.30 H new ATOM 0 HB1 ALA A 13 18.900 -2.093 -5.000 1.00 41.14 H new ATOM 0 HB2 ALA A 13 20.122 -2.923 -4.008 1.00 41.14 H new ATOM 0 HB3 ALA A 13 18.393 -3.108 -3.629 1.00 41.14 H new ATOM 194 N ILE A 14 16.866 -1.059 -2.547 1.00 74.40 N ATOM 195 CA ILE A 14 15.549 -0.435 -2.505 1.00 21.23 C ATOM 196 C ILE A 14 15.628 0.977 -1.935 1.00 43.13 C ATOM 197 O ILE A 14 15.080 1.920 -2.508 1.00 21.22 O ATOM 198 CB ILE A 14 14.561 -1.262 -1.661 1.00 71.11 C ATOM 199 CG1 ILE A 14 14.394 -2.661 -2.257 1.00 72.35 C ATOM 200 CG2 ILE A 14 13.217 -0.554 -1.574 1.00 3.23 C ATOM 201 CD1 ILE A 14 13.658 -3.621 -1.349 1.00 62.41 C ATOM 0 H ILE A 14 16.907 -1.988 -2.127 1.00 74.40 H new ATOM 0 HA ILE A 14 15.188 -0.390 -3.533 1.00 21.23 H new ATOM 0 HB ILE A 14 14.963 -1.362 -0.653 1.00 71.11 H new ATOM 0 HG12 ILE A 14 13.856 -2.583 -3.202 1.00 72.35 H new ATOM 0 HG13 ILE A 14 15.378 -3.070 -2.484 1.00 72.35 H new ATOM 0 HG21 ILE A 14 12.530 -1.151 -0.974 1.00 3.23 H new ATOM 0 HG22 ILE A 14 13.350 0.423 -1.109 1.00 3.23 H new ATOM 0 HG23 ILE A 14 12.807 -0.426 -2.576 1.00 3.23 H new ATOM 0 HD11 ILE A 14 13.577 -4.593 -1.836 1.00 62.41 H new ATOM 0 HD12 ILE A 14 14.206 -3.729 -0.413 1.00 62.41 H new ATOM 0 HD13 ILE A 14 12.660 -3.234 -1.142 1.00 62.41 H new ATOM 213 N CYS A 15 16.315 1.116 -0.807 1.00 11.23 N ATOM 214 CA CYS A 15 16.467 2.415 -0.160 1.00 23.54 C ATOM 215 C CYS A 15 17.110 3.422 -1.107 1.00 54.32 C ATOM 216 O CYS A 15 16.879 4.627 -0.999 1.00 32.20 O ATOM 217 CB CYS A 15 17.311 2.279 1.109 1.00 51.51 C ATOM 218 SG CYS A 15 16.453 1.477 2.484 1.00 43.41 S ATOM 0 H CYS A 15 16.775 0.346 -0.321 1.00 11.23 H new ATOM 0 HA CYS A 15 15.475 2.779 0.108 1.00 23.54 H new ATOM 0 HB2 CYS A 15 18.211 1.710 0.875 1.00 51.51 H new ATOM 0 HB3 CYS A 15 17.634 3.271 1.425 1.00 51.51 H new ATOM 0 HG CYS A 15 16.649 0.193 2.428 1.00 43.41 H new ATOM 224 N VAL A 16 17.919 2.922 -2.036 1.00 35.44 N ATOM 225 CA VAL A 16 18.595 3.778 -3.002 1.00 63.14 C ATOM 226 C VAL A 16 17.716 4.032 -4.222 1.00 23.51 C ATOM 227 O VAL A 16 17.810 5.080 -4.860 1.00 65.14 O ATOM 228 CB VAL A 16 19.928 3.159 -3.464 1.00 2.13 C ATOM 229 CG1 VAL A 16 20.575 4.023 -4.535 1.00 65.15 C ATOM 230 CG2 VAL A 16 20.866 2.971 -2.281 1.00 12.44 C ATOM 0 H VAL A 16 18.122 1.928 -2.139 1.00 35.44 H new ATOM 0 HA VAL A 16 18.796 4.724 -2.500 1.00 63.14 H new ATOM 0 HB VAL A 16 19.723 2.179 -3.896 1.00 2.13 H new ATOM 0 HG11 VAL A 16 21.515 3.570 -4.849 1.00 65.15 H new ATOM 0 HG12 VAL A 16 19.906 4.102 -5.392 1.00 65.15 H new ATOM 0 HG13 VAL A 16 20.768 5.018 -4.133 1.00 65.15 H new ATOM 0 HG21 VAL A 16 21.803 2.533 -2.625 1.00 12.44 H new ATOM 0 HG22 VAL A 16 21.066 3.937 -1.818 1.00 12.44 H new ATOM 0 HG23 VAL A 16 20.402 2.308 -1.551 1.00 12.44 H new ATOM 240 N ARG A 17 16.861 3.065 -4.540 1.00 23.15 N ATOM 241 CA ARG A 17 15.965 3.183 -5.683 1.00 42.04 C ATOM 242 C ARG A 17 14.688 3.924 -5.299 1.00 34.50 C ATOM 243 O ARG A 17 13.902 4.315 -6.162 1.00 14.52 O ATOM 244 CB ARG A 17 15.619 1.798 -6.232 1.00 71.32 C ATOM 245 CG ARG A 17 14.364 1.197 -5.621 1.00 31.42 C ATOM 246 CD ARG A 17 14.127 -0.221 -6.117 1.00 32.34 C ATOM 247 NE ARG A 17 13.337 -0.247 -7.345 1.00 3.30 N ATOM 248 CZ ARG A 17 12.825 -1.356 -7.866 1.00 55.22 C ATOM 249 NH1 ARG A 17 13.017 -2.524 -7.269 1.00 10.44 N ATOM 250 NH2 ARG A 17 12.117 -1.298 -8.987 1.00 40.13 N ATOM 0 H ARG A 17 16.770 2.191 -4.022 1.00 23.15 H new ATOM 0 HA ARG A 17 16.477 3.755 -6.457 1.00 42.04 H new ATOM 0 HB2 ARG A 17 15.490 1.866 -7.312 1.00 71.32 H new ATOM 0 HB3 ARG A 17 16.458 1.126 -6.053 1.00 71.32 H new ATOM 0 HG2 ARG A 17 14.453 1.194 -4.535 1.00 31.42 H new ATOM 0 HG3 ARG A 17 13.504 1.819 -5.869 1.00 31.42 H new ATOM 0 HD2 ARG A 17 15.086 -0.708 -6.293 1.00 32.34 H new ATOM 0 HD3 ARG A 17 13.615 -0.794 -5.344 1.00 32.34 H new ATOM 0 HE ARG A 17 13.169 0.635 -7.829 1.00 3.30 H new ATOM 0 HH11 ARG A 17 13.559 -2.573 -6.407 1.00 10.44 H new ATOM 0 HH12 ARG A 17 12.622 -3.374 -7.672 1.00 10.44 H new ATOM 0 HH21 ARG A 17 11.966 -0.401 -9.449 1.00 40.13 H new ATOM 0 HH22 ARG A 17 11.724 -2.150 -9.387 1.00 40.13 H new ATOM 264 N TYR A 18 14.487 4.111 -3.999 1.00 60.13 N ATOM 265 CA TYR A 18 13.304 4.801 -3.500 1.00 52.43 C ATOM 266 C TYR A 18 13.664 6.185 -2.968 1.00 24.12 C ATOM 267 O TYR A 18 13.192 7.201 -3.477 1.00 50.34 O ATOM 268 CB TYR A 18 12.633 3.978 -2.399 1.00 62.24 C ATOM 269 CG TYR A 18 11.499 3.111 -2.898 1.00 21.24 C ATOM 270 CD1 TYR A 18 11.734 1.818 -3.350 1.00 20.04 C ATOM 271 CD2 TYR A 18 10.193 3.584 -2.917 1.00 41.32 C ATOM 272 CE1 TYR A 18 10.701 1.022 -3.806 1.00 42.23 C ATOM 273 CE2 TYR A 18 9.154 2.795 -3.371 1.00 11.13 C ATOM 274 CZ TYR A 18 9.413 1.515 -3.814 1.00 50.14 C ATOM 275 OH TYR A 18 8.381 0.726 -4.268 1.00 53.43 O ATOM 0 H TYR A 18 15.128 3.794 -3.272 1.00 60.13 H new ATOM 0 HA TYR A 18 12.608 4.920 -4.330 1.00 52.43 H new ATOM 0 HB2 TYR A 18 13.381 3.344 -1.923 1.00 62.24 H new ATOM 0 HB3 TYR A 18 12.253 4.653 -1.632 1.00 62.24 H new ATOM 0 HD1 TYR A 18 12.741 1.429 -3.345 1.00 20.04 H new ATOM 0 HD2 TYR A 18 9.986 4.586 -2.571 1.00 41.32 H new ATOM 0 HE1 TYR A 18 10.901 0.019 -4.154 1.00 42.23 H new ATOM 0 HE2 TYR A 18 8.144 3.178 -3.379 1.00 11.13 H new ATOM 0 HH TYR A 18 7.538 1.222 -4.206 1.00 53.43 H new ATOM 285 N TYR A 19 14.505 6.215 -1.940 1.00 20.02 N ATOM 286 CA TYR A 19 14.929 7.473 -1.336 1.00 31.53 C ATOM 287 C TYR A 19 16.249 7.948 -1.936 1.00 34.41 C ATOM 288 O TYR A 19 16.471 9.146 -2.106 1.00 31.41 O ATOM 289 CB TYR A 19 15.073 7.312 0.179 1.00 51.14 C ATOM 290 CG TYR A 19 13.957 6.512 0.812 1.00 53.53 C ATOM 291 CD1 TYR A 19 12.768 7.123 1.194 1.00 65.41 C ATOM 292 CD2 TYR A 19 14.090 5.146 1.027 1.00 41.14 C ATOM 293 CE1 TYR A 19 11.746 6.396 1.773 1.00 25.03 C ATOM 294 CE2 TYR A 19 13.073 4.411 1.604 1.00 13.21 C ATOM 295 CZ TYR A 19 11.903 5.041 1.976 1.00 22.31 C ATOM 296 OH TYR A 19 10.887 4.313 2.552 1.00 51.14 O ATOM 0 H TYR A 19 14.906 5.383 -1.508 1.00 20.02 H new ATOM 0 HA TYR A 19 14.166 8.223 -1.545 1.00 31.53 H new ATOM 0 HB2 TYR A 19 16.025 6.827 0.395 1.00 51.14 H new ATOM 0 HB3 TYR A 19 15.107 8.299 0.639 1.00 51.14 H new ATOM 0 HD1 TYR A 19 12.641 8.184 1.035 1.00 65.41 H new ATOM 0 HD2 TYR A 19 15.005 4.650 0.738 1.00 41.14 H new ATOM 0 HE1 TYR A 19 10.829 6.886 2.065 1.00 25.03 H new ATOM 0 HE2 TYR A 19 13.193 3.350 1.763 1.00 13.21 H new ATOM 0 HH TYR A 19 10.487 4.830 3.282 1.00 51.14 H new ATOM 306 N GLY A 20 17.122 6.997 -2.256 1.00 0.42 N ATOM 307 CA GLY A 20 18.409 7.337 -2.834 1.00 60.01 C ATOM 308 C GLY A 20 19.501 7.454 -1.790 1.00 2.35 C ATOM 309 O GLY A 20 20.508 8.128 -2.008 1.00 0.34 O ATOM 0 H GLY A 20 16.961 5.998 -2.125 1.00 0.42 H new ATOM 0 HA2 GLY A 20 18.688 6.577 -3.564 1.00 60.01 H new ATOM 0 HA3 GLY A 20 18.324 8.280 -3.373 1.00 60.01 H new ATOM 313 N ARG A 21 19.302 6.798 -0.651 1.00 51.11 N ATOM 314 CA ARG A 21 20.277 6.834 0.432 1.00 12.43 C ATOM 315 C ARG A 21 19.989 5.744 1.460 1.00 73.43 C ATOM 316 O ARG A 21 18.869 5.238 1.548 1.00 64.44 O ATOM 317 CB ARG A 21 20.266 8.205 1.111 1.00 14.23 C ATOM 318 CG ARG A 21 18.945 8.540 1.786 1.00 42.04 C ATOM 319 CD ARG A 21 17.990 9.233 0.827 1.00 50.14 C ATOM 320 NE ARG A 21 17.118 10.182 1.513 1.00 35.24 N ATOM 321 CZ ARG A 21 16.492 11.181 0.901 1.00 34.20 C ATOM 322 NH1 ARG A 21 16.641 11.360 -0.404 1.00 53.12 N ATOM 323 NH2 ARG A 21 15.714 12.003 1.594 1.00 22.45 N ATOM 0 H ARG A 21 18.474 6.235 -0.455 1.00 51.11 H new ATOM 0 HA ARG A 21 21.264 6.655 0.005 1.00 12.43 H new ATOM 0 HB2 ARG A 21 21.063 8.240 1.854 1.00 14.23 H new ATOM 0 HB3 ARG A 21 20.489 8.971 0.368 1.00 14.23 H new ATOM 0 HG2 ARG A 21 18.485 7.626 2.162 1.00 42.04 H new ATOM 0 HG3 ARG A 21 19.128 9.183 2.647 1.00 42.04 H new ATOM 0 HD2 ARG A 21 18.562 9.755 0.060 1.00 50.14 H new ATOM 0 HD3 ARG A 21 17.382 8.485 0.317 1.00 50.14 H new ATOM 0 HE ARG A 21 16.982 10.072 2.518 1.00 35.24 H new ATOM 0 HH11 ARG A 21 17.237 10.730 -0.940 1.00 53.12 H new ATOM 0 HH12 ARG A 21 16.159 12.128 -0.872 1.00 53.12 H new ATOM 0 HH21 ARG A 21 15.596 11.868 2.598 1.00 22.45 H new ATOM 0 HH22 ARG A 21 15.234 12.770 1.122 1.00 22.45 H new ATOM 337 N THR A 22 21.007 5.385 2.236 1.00 71.34 N ATOM 338 CA THR A 22 20.864 4.353 3.255 1.00 2.34 C ATOM 339 C THR A 22 21.035 4.935 4.654 1.00 41.42 C ATOM 340 O THR A 22 20.552 4.370 5.634 1.00 23.21 O ATOM 341 CB THR A 22 21.888 3.220 3.055 1.00 74.41 C ATOM 342 OG1 THR A 22 23.112 3.751 2.536 1.00 72.01 O ATOM 343 CG2 THR A 22 21.345 2.162 2.105 1.00 12.34 C ATOM 0 H THR A 22 21.940 5.794 2.178 1.00 71.34 H new ATOM 0 HA THR A 22 19.858 3.946 3.153 1.00 2.34 H new ATOM 0 HB THR A 22 22.076 2.755 4.023 1.00 74.41 H new ATOM 0 HG1 THR A 22 23.758 3.024 2.414 1.00 72.01 H new ATOM 0 HG21 THR A 22 22.085 1.372 1.979 1.00 12.34 H new ATOM 0 HG22 THR A 22 20.429 1.739 2.517 1.00 12.34 H new ATOM 0 HG23 THR A 22 21.131 2.617 1.138 1.00 12.34 H new ATOM 351 N GLU A 23 21.724 6.069 4.738 1.00 65.01 N ATOM 352 CA GLU A 23 21.958 6.727 6.018 1.00 23.10 C ATOM 353 C GLU A 23 20.696 7.433 6.506 1.00 63.34 C ATOM 354 O GLU A 23 20.259 8.422 5.919 1.00 4.12 O ATOM 355 CB GLU A 23 23.105 7.733 5.898 1.00 54.35 C ATOM 356 CG GLU A 23 23.736 8.099 7.230 1.00 21.13 C ATOM 357 CD GLU A 23 24.544 9.380 7.161 1.00 40.30 C ATOM 358 OE1 GLU A 23 23.999 10.401 6.692 1.00 1.33 O ATOM 359 OE2 GLU A 23 25.722 9.361 7.576 1.00 12.42 O ATOM 0 H GLU A 23 22.129 6.551 3.935 1.00 65.01 H new ATOM 0 HA GLU A 23 22.230 5.962 6.746 1.00 23.10 H new ATOM 0 HB2 GLU A 23 23.872 7.320 5.244 1.00 54.35 H new ATOM 0 HB3 GLU A 23 22.733 8.640 5.420 1.00 54.35 H new ATOM 0 HG2 GLU A 23 22.953 8.208 7.981 1.00 21.13 H new ATOM 0 HG3 GLU A 23 24.381 7.284 7.558 1.00 21.13 H new ATOM 366 N GLY A 24 20.115 6.915 7.584 1.00 54.35 N ATOM 367 CA GLY A 24 18.908 7.507 8.132 1.00 44.32 C ATOM 368 C GLY A 24 17.651 6.801 7.664 1.00 45.13 C ATOM 369 O GLY A 24 16.591 6.934 8.275 1.00 4.23 O ATOM 0 H GLY A 24 20.458 6.097 8.087 1.00 54.35 H new ATOM 0 HA2 GLY A 24 18.954 7.476 9.221 1.00 44.32 H new ATOM 0 HA3 GLY A 24 18.859 8.557 7.844 1.00 44.32 H new ATOM 373 N VAL A 25 17.768 6.048 6.574 1.00 2.43 N ATOM 374 CA VAL A 25 16.632 5.319 6.024 1.00 62.12 C ATOM 375 C VAL A 25 16.614 3.877 6.518 1.00 73.34 C ATOM 376 O VAL A 25 15.565 3.349 6.886 1.00 34.44 O ATOM 377 CB VAL A 25 16.656 5.322 4.484 1.00 51.43 C ATOM 378 CG1 VAL A 25 15.373 4.723 3.928 1.00 21.34 C ATOM 379 CG2 VAL A 25 16.865 6.734 3.958 1.00 45.33 C ATOM 0 H VAL A 25 18.638 5.927 6.055 1.00 2.43 H new ATOM 0 HA VAL A 25 15.732 5.829 6.367 1.00 62.12 H new ATOM 0 HB VAL A 25 17.491 4.706 4.150 1.00 51.43 H new ATOM 0 HG11 VAL A 25 15.409 4.734 2.839 1.00 21.34 H new ATOM 0 HG12 VAL A 25 15.270 3.696 4.278 1.00 21.34 H new ATOM 0 HG13 VAL A 25 14.520 5.310 4.269 1.00 21.34 H new ATOM 0 HG21 VAL A 25 16.879 6.718 2.868 1.00 45.33 H new ATOM 0 HG22 VAL A 25 16.052 7.374 4.301 1.00 45.33 H new ATOM 0 HG23 VAL A 25 17.814 7.123 4.328 1.00 45.33 H new ATOM 389 N VAL A 26 17.783 3.244 6.523 1.00 74.44 N ATOM 390 CA VAL A 26 17.902 1.862 6.973 1.00 72.01 C ATOM 391 C VAL A 26 17.354 1.695 8.386 1.00 41.32 C ATOM 392 O VAL A 26 16.932 0.606 8.773 1.00 10.44 O ATOM 393 CB VAL A 26 19.366 1.386 6.942 1.00 4.14 C ATOM 394 CG1 VAL A 26 19.883 1.340 5.513 1.00 44.24 C ATOM 395 CG2 VAL A 26 20.237 2.288 7.804 1.00 22.22 C ATOM 0 H VAL A 26 18.661 3.666 6.221 1.00 74.44 H new ATOM 0 HA VAL A 26 17.315 1.253 6.285 1.00 72.01 H new ATOM 0 HB VAL A 26 19.410 0.377 7.351 1.00 4.14 H new ATOM 0 HG11 VAL A 26 20.919 1.001 5.512 1.00 44.24 H new ATOM 0 HG12 VAL A 26 19.275 0.650 4.928 1.00 44.24 H new ATOM 0 HG13 VAL A 26 19.826 2.336 5.073 1.00 44.24 H new ATOM 0 HG21 VAL A 26 21.269 1.937 7.771 1.00 22.22 H new ATOM 0 HG22 VAL A 26 20.189 3.309 7.426 1.00 22.22 H new ATOM 0 HG23 VAL A 26 19.879 2.264 8.833 1.00 22.22 H new ATOM 405 N GLU A 27 17.364 2.783 9.151 1.00 71.44 N ATOM 406 CA GLU A 27 16.868 2.756 10.522 1.00 71.24 C ATOM 407 C GLU A 27 15.343 2.796 10.549 1.00 33.32 C ATOM 408 O GLU A 27 14.712 2.269 11.467 1.00 63.13 O ATOM 409 CB GLU A 27 17.434 3.935 11.316 1.00 63.25 C ATOM 410 CG GLU A 27 18.835 3.691 11.851 1.00 45.45 C ATOM 411 CD GLU A 27 18.872 2.623 12.926 1.00 13.44 C ATOM 412 OE1 GLU A 27 17.819 2.371 13.548 1.00 72.40 O ATOM 413 OE2 GLU A 27 19.954 2.040 13.146 1.00 1.22 O ATOM 0 H GLU A 27 17.710 3.692 8.845 1.00 71.44 H new ATOM 0 HA GLU A 27 17.198 1.825 10.983 1.00 71.24 H new ATOM 0 HB2 GLU A 27 17.446 4.819 10.679 1.00 63.25 H new ATOM 0 HB3 GLU A 27 16.768 4.153 12.151 1.00 63.25 H new ATOM 0 HG2 GLU A 27 19.487 3.396 11.029 1.00 45.45 H new ATOM 0 HG3 GLU A 27 19.233 4.622 12.255 1.00 45.45 H new ATOM 420 N THR A 28 14.754 3.425 9.537 1.00 45.33 N ATOM 421 CA THR A 28 13.304 3.536 9.445 1.00 42.43 C ATOM 422 C THR A 28 12.668 2.186 9.134 1.00 40.41 C ATOM 423 O THR A 28 11.908 1.647 9.938 1.00 11.12 O ATOM 424 CB THR A 28 12.886 4.550 8.363 1.00 71.44 C ATOM 425 OG1 THR A 28 13.909 5.537 8.195 1.00 50.34 O ATOM 426 CG2 THR A 28 11.576 5.227 8.733 1.00 15.44 C ATOM 0 H THR A 28 15.260 3.866 8.769 1.00 45.33 H new ATOM 0 HA THR A 28 12.951 3.885 10.415 1.00 42.43 H new ATOM 0 HB THR A 28 12.745 4.011 7.426 1.00 71.44 H new ATOM 0 HG1 THR A 28 13.636 6.177 7.504 1.00 50.34 H new ATOM 0 HG21 THR A 28 11.301 5.938 7.954 1.00 15.44 H new ATOM 0 HG22 THR A 28 10.793 4.475 8.830 1.00 15.44 H new ATOM 0 HG23 THR A 28 11.693 5.753 9.680 1.00 15.44 H new ATOM 434 N VAL A 29 12.984 1.644 7.962 1.00 10.20 N ATOM 435 CA VAL A 29 12.444 0.355 7.546 1.00 43.44 C ATOM 436 C VAL A 29 12.672 -0.707 8.615 1.00 32.11 C ATOM 437 O VAL A 29 11.804 -1.543 8.870 1.00 13.11 O ATOM 438 CB VAL A 29 13.078 -0.118 6.224 1.00 23.12 C ATOM 439 CG1 VAL A 29 12.418 -1.402 5.745 1.00 53.44 C ATOM 440 CG2 VAL A 29 12.979 0.970 5.166 1.00 53.20 C ATOM 0 H VAL A 29 13.611 2.077 7.284 1.00 10.20 H new ATOM 0 HA VAL A 29 11.373 0.493 7.398 1.00 43.44 H new ATOM 0 HB VAL A 29 14.134 -0.325 6.401 1.00 23.12 H new ATOM 0 HG11 VAL A 29 12.879 -1.721 4.810 1.00 53.44 H new ATOM 0 HG12 VAL A 29 12.547 -2.180 6.497 1.00 53.44 H new ATOM 0 HG13 VAL A 29 11.354 -1.226 5.584 1.00 53.44 H new ATOM 0 HG21 VAL A 29 13.432 0.618 4.239 1.00 53.20 H new ATOM 0 HG22 VAL A 29 11.931 1.211 4.989 1.00 53.20 H new ATOM 0 HG23 VAL A 29 13.503 1.861 5.511 1.00 53.20 H new ATOM 450 N LEU A 30 13.844 -0.669 9.239 1.00 61.23 N ATOM 451 CA LEU A 30 14.187 -1.629 10.283 1.00 52.24 C ATOM 452 C LEU A 30 13.121 -1.651 11.373 1.00 12.34 C ATOM 453 O LEU A 30 12.657 -2.715 11.781 1.00 64.42 O ATOM 454 CB LEU A 30 15.548 -1.286 10.891 1.00 60.43 C ATOM 455 CG LEU A 30 16.759 -1.964 10.249 1.00 44.20 C ATOM 456 CD1 LEU A 30 18.051 -1.361 10.779 1.00 41.45 C ATOM 457 CD2 LEU A 30 16.727 -3.464 10.501 1.00 72.33 C ATOM 0 H LEU A 30 14.573 0.016 9.040 1.00 61.23 H new ATOM 0 HA LEU A 30 14.238 -2.619 9.830 1.00 52.24 H new ATOM 0 HB2 LEU A 30 15.688 -0.207 10.833 1.00 60.43 H new ATOM 0 HB3 LEU A 30 15.528 -1.549 11.949 1.00 60.43 H new ATOM 0 HG LEU A 30 16.717 -1.796 9.173 1.00 44.20 H new ATOM 0 HD11 LEU A 30 18.902 -1.856 10.311 1.00 41.45 H new ATOM 0 HD12 LEU A 30 18.078 -0.296 10.547 1.00 41.45 H new ATOM 0 HD13 LEU A 30 18.100 -1.498 11.859 1.00 41.45 H new ATOM 0 HD21 LEU A 30 17.596 -3.930 10.037 1.00 72.33 H new ATOM 0 HD22 LEU A 30 16.744 -3.653 11.574 1.00 72.33 H new ATOM 0 HD23 LEU A 30 15.818 -3.886 10.073 1.00 72.33 H new ATOM 469 N ALA A 31 12.735 -0.468 11.840 1.00 1.24 N ATOM 470 CA ALA A 31 11.721 -0.351 12.881 1.00 73.04 C ATOM 471 C ALA A 31 10.399 -0.965 12.430 1.00 4.03 C ATOM 472 O ALA A 31 9.687 -1.578 13.224 1.00 32.41 O ATOM 473 CB ALA A 31 11.523 1.108 13.264 1.00 44.11 C ATOM 0 H ALA A 31 13.109 0.423 11.514 1.00 1.24 H new ATOM 0 HA ALA A 31 12.068 -0.901 13.756 1.00 73.04 H new ATOM 0 HB1 ALA A 31 10.763 1.180 14.042 1.00 44.11 H new ATOM 0 HB2 ALA A 31 12.462 1.517 13.635 1.00 44.11 H new ATOM 0 HB3 ALA A 31 11.201 1.673 12.389 1.00 44.11 H new ATOM 479 N ALA A 32 10.079 -0.795 11.152 1.00 54.02 N ATOM 480 CA ALA A 32 8.843 -1.334 10.596 1.00 4.31 C ATOM 481 C ALA A 32 8.953 -2.838 10.370 1.00 1.24 C ATOM 482 O ALA A 32 7.947 -3.545 10.337 1.00 50.32 O ATOM 483 CB ALA A 32 8.498 -0.626 9.294 1.00 60.40 C ATOM 0 H ALA A 32 10.658 -0.289 10.482 1.00 54.02 H new ATOM 0 HA ALA A 32 8.043 -1.159 11.315 1.00 4.31 H new ATOM 0 HB1 ALA A 32 7.573 -1.038 8.890 1.00 60.40 H new ATOM 0 HB2 ALA A 32 8.368 0.440 9.483 1.00 60.40 H new ATOM 0 HB3 ALA A 32 9.305 -0.772 8.576 1.00 60.40 H new ATOM 489 N ASN A 33 10.182 -3.320 10.216 1.00 71.25 N ATOM 490 CA ASN A 33 10.423 -4.741 9.991 1.00 34.05 C ATOM 491 C ASN A 33 11.589 -5.236 10.842 1.00 55.01 C ATOM 492 O ASN A 33 12.688 -5.486 10.347 1.00 10.33 O ATOM 493 CB ASN A 33 10.708 -5.004 8.512 1.00 64.14 C ATOM 494 CG ASN A 33 9.442 -5.238 7.711 1.00 51.42 C ATOM 495 OD1 ASN A 33 9.050 -6.379 7.466 1.00 5.13 O ATOM 496 ND2 ASN A 33 8.795 -4.154 7.298 1.00 51.02 N ATOM 0 H ASN A 33 11.026 -2.748 10.243 1.00 71.25 H new ATOM 0 HA ASN A 33 9.526 -5.287 10.283 1.00 34.05 H new ATOM 0 HB2 ASN A 33 11.248 -4.155 8.093 1.00 64.14 H new ATOM 0 HB3 ASN A 33 11.359 -5.873 8.419 1.00 64.14 H new ATOM 0 HD21 ASN A 33 7.937 -4.248 6.755 1.00 51.02 H new ATOM 0 HD22 ASN A 33 9.156 -3.227 7.524 1.00 51.02 H new ATOM 503 N PRO A 34 11.345 -5.382 12.153 1.00 74.33 N ATOM 504 CA PRO A 34 12.361 -5.850 13.100 1.00 42.42 C ATOM 505 C PRO A 34 12.707 -7.321 12.900 1.00 33.30 C ATOM 506 O PRO A 34 11.838 -8.136 12.591 1.00 25.44 O ATOM 507 CB PRO A 34 11.700 -5.636 14.464 1.00 42.12 C ATOM 508 CG PRO A 34 10.237 -5.682 14.187 1.00 21.22 C ATOM 509 CD PRO A 34 10.057 -5.103 12.811 1.00 23.21 C ATOM 0 HA PRO A 34 13.305 -5.318 12.980 1.00 42.42 H new ATOM 0 HB2 PRO A 34 11.993 -6.411 15.172 1.00 42.12 H new ATOM 0 HB3 PRO A 34 11.991 -4.680 14.899 1.00 42.12 H new ATOM 0 HG2 PRO A 34 9.863 -6.705 14.232 1.00 21.22 H new ATOM 0 HG3 PRO A 34 9.681 -5.107 14.928 1.00 21.22 H new ATOM 0 HD2 PRO A 34 9.226 -5.571 12.283 1.00 23.21 H new ATOM 0 HD3 PRO A 34 9.848 -4.034 12.849 1.00 23.21 H new ATOM 517 N GLY A 35 13.981 -7.655 13.079 1.00 44.03 N ATOM 518 CA GLY A 35 14.419 -9.029 12.914 1.00 54.10 C ATOM 519 C GLY A 35 14.902 -9.319 11.507 1.00 44.30 C ATOM 520 O GLY A 35 15.511 -10.359 11.254 1.00 60.25 O ATOM 0 H GLY A 35 14.718 -6.998 13.335 1.00 44.03 H new ATOM 0 HA2 GLY A 35 15.222 -9.238 13.621 1.00 54.10 H new ATOM 0 HA3 GLY A 35 13.596 -9.701 13.158 1.00 54.10 H new ATOM 524 N LEU A 36 14.631 -8.398 10.588 1.00 31.25 N ATOM 525 CA LEU A 36 15.041 -8.560 9.198 1.00 24.30 C ATOM 526 C LEU A 36 16.531 -8.278 9.034 1.00 43.33 C ATOM 527 O LEU A 36 17.181 -8.818 8.139 1.00 55.14 O ATOM 528 CB LEU A 36 14.231 -7.629 8.295 1.00 43.04 C ATOM 529 CG LEU A 36 13.872 -8.178 6.914 1.00 64.55 C ATOM 530 CD1 LEU A 36 15.130 -8.438 6.099 1.00 22.41 C ATOM 531 CD2 LEU A 36 13.047 -9.450 7.044 1.00 72.24 C ATOM 0 H LEU A 36 14.129 -7.531 10.781 1.00 31.25 H new ATOM 0 HA LEU A 36 14.851 -9.593 8.907 1.00 24.30 H new ATOM 0 HB2 LEU A 36 13.307 -7.368 8.811 1.00 43.04 H new ATOM 0 HB3 LEU A 36 14.794 -6.705 8.162 1.00 43.04 H new ATOM 0 HG LEU A 36 13.273 -7.432 6.392 1.00 64.55 H new ATOM 0 HD11 LEU A 36 14.855 -8.828 5.119 1.00 22.41 H new ATOM 0 HD12 LEU A 36 15.683 -7.507 5.976 1.00 22.41 H new ATOM 0 HD13 LEU A 36 15.755 -9.165 6.617 1.00 22.41 H new ATOM 0 HD21 LEU A 36 12.800 -9.827 6.051 1.00 72.24 H new ATOM 0 HD22 LEU A 36 13.621 -10.202 7.585 1.00 72.24 H new ATOM 0 HD23 LEU A 36 12.128 -9.233 7.588 1.00 72.24 H new ATOM 543 N ALA A 37 17.067 -7.429 9.905 1.00 21.31 N ATOM 544 CA ALA A 37 18.481 -7.078 9.859 1.00 21.42 C ATOM 545 C ALA A 37 19.355 -8.274 10.222 1.00 4.21 C ATOM 546 O ALA A 37 20.563 -8.265 9.987 1.00 41.34 O ATOM 547 CB ALA A 37 18.766 -5.911 10.793 1.00 73.04 C ATOM 0 H ALA A 37 16.543 -6.972 10.651 1.00 21.31 H new ATOM 0 HA ALA A 37 18.723 -6.780 8.839 1.00 21.42 H new ATOM 0 HB1 ALA A 37 19.826 -5.660 10.748 1.00 73.04 H new ATOM 0 HB2 ALA A 37 18.175 -5.048 10.487 1.00 73.04 H new ATOM 0 HB3 ALA A 37 18.502 -6.189 11.813 1.00 73.04 H new ATOM 553 N GLU A 38 18.737 -9.301 10.797 1.00 0.42 N ATOM 554 CA GLU A 38 19.461 -10.503 11.194 1.00 40.32 C ATOM 555 C GLU A 38 19.903 -11.300 9.970 1.00 33.42 C ATOM 556 O GLU A 38 20.869 -12.062 10.027 1.00 21.00 O ATOM 557 CB GLU A 38 18.588 -11.376 12.098 1.00 41.24 C ATOM 558 CG GLU A 38 18.711 -11.038 13.574 1.00 43.42 C ATOM 559 CD GLU A 38 17.706 -9.993 14.019 1.00 32.50 C ATOM 560 OE1 GLU A 38 17.519 -8.999 13.288 1.00 45.42 O ATOM 561 OE2 GLU A 38 17.105 -10.172 15.099 1.00 21.13 O ATOM 0 H GLU A 38 17.737 -9.325 10.998 1.00 0.42 H new ATOM 0 HA GLU A 38 20.349 -10.196 11.746 1.00 40.32 H new ATOM 0 HB2 GLU A 38 17.546 -11.270 11.795 1.00 41.24 H new ATOM 0 HB3 GLU A 38 18.858 -12.422 11.950 1.00 41.24 H new ATOM 0 HG2 GLU A 38 18.572 -11.944 14.163 1.00 43.42 H new ATOM 0 HG3 GLU A 38 19.719 -10.677 13.777 1.00 43.42 H new ATOM 568 N LEU A 39 19.188 -11.121 8.865 1.00 41.32 N ATOM 569 CA LEU A 39 19.505 -11.824 7.626 1.00 12.53 C ATOM 570 C LEU A 39 20.972 -11.637 7.255 1.00 64.54 C ATOM 571 O LEU A 39 21.698 -12.608 7.044 1.00 72.42 O ATOM 572 CB LEU A 39 18.612 -11.323 6.490 1.00 54.31 C ATOM 573 CG LEU A 39 18.301 -12.333 5.385 1.00 22.21 C ATOM 574 CD1 LEU A 39 19.496 -13.242 5.142 1.00 42.13 C ATOM 575 CD2 LEU A 39 17.070 -13.153 5.742 1.00 13.43 C ATOM 0 H LEU A 39 18.385 -10.495 8.801 1.00 41.32 H new ATOM 0 HA LEU A 39 19.321 -12.887 7.782 1.00 12.53 H new ATOM 0 HB2 LEU A 39 17.670 -10.982 6.919 1.00 54.31 H new ATOM 0 HB3 LEU A 39 19.089 -10.454 6.037 1.00 54.31 H new ATOM 0 HG LEU A 39 18.094 -11.785 4.466 1.00 22.21 H new ATOM 0 HD11 LEU A 39 19.257 -13.954 4.352 1.00 42.13 H new ATOM 0 HD12 LEU A 39 20.355 -12.642 4.841 1.00 42.13 H new ATOM 0 HD13 LEU A 39 19.734 -13.782 6.058 1.00 42.13 H new ATOM 0 HD21 LEU A 39 16.864 -13.866 4.944 1.00 13.43 H new ATOM 0 HD22 LEU A 39 17.249 -13.691 6.673 1.00 13.43 H new ATOM 0 HD23 LEU A 39 16.214 -12.489 5.865 1.00 13.43 H new ATOM 587 N GLY A 40 21.404 -10.382 7.178 1.00 32.02 N ATOM 588 CA GLY A 40 22.783 -10.091 6.834 1.00 24.42 C ATOM 589 C GLY A 40 23.003 -10.011 5.337 1.00 52.45 C ATOM 590 O GLY A 40 22.813 -8.956 4.731 1.00 72.54 O ATOM 0 H GLY A 40 20.823 -9.561 7.348 1.00 32.02 H new ATOM 0 HA2 GLY A 40 23.077 -9.147 7.292 1.00 24.42 H new ATOM 0 HA3 GLY A 40 23.429 -10.863 7.252 1.00 24.42 H new ATOM 594 N ALA A 41 23.406 -11.127 4.738 1.00 54.30 N ATOM 595 CA ALA A 41 23.651 -11.178 3.302 1.00 11.21 C ATOM 596 C ALA A 41 22.385 -10.853 2.517 1.00 54.21 C ATOM 597 O ALA A 41 21.389 -10.402 3.084 1.00 61.22 O ATOM 598 CB ALA A 41 24.183 -12.547 2.906 1.00 61.01 C ATOM 0 H ALA A 41 23.570 -12.008 5.225 1.00 54.30 H new ATOM 0 HA ALA A 41 24.401 -10.425 3.059 1.00 11.21 H new ATOM 0 HB1 ALA A 41 24.362 -12.571 1.831 1.00 61.01 H new ATOM 0 HB2 ALA A 41 25.117 -12.741 3.433 1.00 61.01 H new ATOM 0 HB3 ALA A 41 23.452 -13.312 3.170 1.00 61.01 H new ATOM 604 N VAL A 42 22.429 -11.084 1.209 1.00 44.34 N ATOM 605 CA VAL A 42 21.285 -10.816 0.345 1.00 3.24 C ATOM 606 C VAL A 42 20.033 -11.515 0.860 1.00 34.45 C ATOM 607 O VAL A 42 20.075 -12.685 1.245 1.00 53.12 O ATOM 608 CB VAL A 42 21.555 -11.270 -1.101 1.00 44.34 C ATOM 609 CG1 VAL A 42 20.388 -10.900 -2.004 1.00 30.22 C ATOM 610 CG2 VAL A 42 22.851 -10.662 -1.617 1.00 24.22 C ATOM 0 H VAL A 42 23.245 -11.456 0.724 1.00 44.34 H new ATOM 0 HA VAL A 42 21.126 -9.738 0.355 1.00 3.24 H new ATOM 0 HB VAL A 42 21.660 -12.355 -1.109 1.00 44.34 H new ATOM 0 HG11 VAL A 42 20.597 -11.229 -3.022 1.00 30.22 H new ATOM 0 HG12 VAL A 42 19.481 -11.387 -1.644 1.00 30.22 H new ATOM 0 HG13 VAL A 42 20.248 -9.819 -1.993 1.00 30.22 H new ATOM 0 HG21 VAL A 42 23.026 -10.994 -2.640 1.00 24.22 H new ATOM 0 HG22 VAL A 42 22.777 -9.575 -1.595 1.00 24.22 H new ATOM 0 HG23 VAL A 42 23.680 -10.982 -0.985 1.00 24.22 H new ATOM 620 N LEU A 43 18.918 -10.793 0.865 1.00 11.34 N ATOM 621 CA LEU A 43 17.651 -11.344 1.333 1.00 52.11 C ATOM 622 C LEU A 43 17.114 -12.382 0.353 1.00 60.30 C ATOM 623 O LEU A 43 17.394 -12.344 -0.845 1.00 63.23 O ATOM 624 CB LEU A 43 16.624 -10.226 1.522 1.00 43.43 C ATOM 625 CG LEU A 43 17.122 -8.972 2.241 1.00 45.40 C ATOM 626 CD1 LEU A 43 16.246 -7.777 1.899 1.00 2.43 C ATOM 627 CD2 LEU A 43 17.156 -9.198 3.745 1.00 3.35 C ATOM 0 H LEU A 43 18.865 -9.824 0.550 1.00 11.34 H new ATOM 0 HA LEU A 43 17.828 -11.832 2.291 1.00 52.11 H new ATOM 0 HB2 LEU A 43 16.250 -9.934 0.541 1.00 43.43 H new ATOM 0 HB3 LEU A 43 15.777 -10.628 2.079 1.00 43.43 H new ATOM 0 HG LEU A 43 18.136 -8.761 1.903 1.00 45.40 H new ATOM 0 HD11 LEU A 43 16.616 -6.894 2.420 1.00 2.43 H new ATOM 0 HD12 LEU A 43 16.273 -7.602 0.824 1.00 2.43 H new ATOM 0 HD13 LEU A 43 15.220 -7.978 2.208 1.00 2.43 H new ATOM 0 HD21 LEU A 43 17.513 -8.295 4.241 1.00 3.35 H new ATOM 0 HD22 LEU A 43 16.153 -9.435 4.100 1.00 3.35 H new ATOM 0 HD23 LEU A 43 17.827 -10.026 3.973 1.00 3.35 H new ATOM 639 N PRO A 44 16.322 -13.332 0.872 1.00 55.02 N ATOM 640 CA PRO A 44 15.726 -14.397 0.059 1.00 23.25 C ATOM 641 C PRO A 44 14.647 -13.874 -0.882 1.00 45.35 C ATOM 642 O PRO A 44 13.632 -13.334 -0.441 1.00 44.21 O ATOM 643 CB PRO A 44 15.116 -15.339 1.101 1.00 41.51 C ATOM 644 CG PRO A 44 14.855 -14.474 2.286 1.00 71.31 C ATOM 645 CD PRO A 44 15.945 -13.439 2.291 1.00 1.45 C ATOM 0 HA PRO A 44 16.461 -14.874 -0.589 1.00 23.25 H new ATOM 0 HB2 PRO A 44 14.197 -15.794 0.733 1.00 41.51 H new ATOM 0 HB3 PRO A 44 15.798 -16.153 1.347 1.00 41.51 H new ATOM 0 HG2 PRO A 44 13.873 -14.006 2.219 1.00 71.31 H new ATOM 0 HG3 PRO A 44 14.867 -15.058 3.206 1.00 71.31 H new ATOM 0 HD2 PRO A 44 15.592 -12.486 2.686 1.00 1.45 H new ATOM 0 HD3 PRO A 44 16.789 -13.747 2.909 1.00 1.45 H new ATOM 653 N HIS A 45 14.873 -14.037 -2.182 1.00 70.13 N ATOM 654 CA HIS A 45 13.919 -13.582 -3.187 1.00 13.51 C ATOM 655 C HIS A 45 12.518 -14.104 -2.882 1.00 10.30 C ATOM 656 O HIS A 45 12.230 -15.285 -3.071 1.00 2.20 O ATOM 657 CB HIS A 45 14.354 -14.039 -4.579 1.00 64.22 C ATOM 658 CG HIS A 45 14.628 -15.509 -4.668 1.00 43.01 C ATOM 659 ND1 HIS A 45 13.715 -16.416 -5.163 1.00 22.22 N ATOM 660 CD2 HIS A 45 15.722 -16.228 -4.323 1.00 70.25 C ATOM 661 CE1 HIS A 45 14.235 -17.630 -5.117 1.00 13.10 C ATOM 662 NE2 HIS A 45 15.452 -17.543 -4.612 1.00 61.30 N ATOM 0 H HIS A 45 15.708 -14.481 -2.564 1.00 70.13 H new ATOM 0 HA HIS A 45 13.895 -12.493 -3.162 1.00 13.51 H new ATOM 0 HB2 HIS A 45 13.577 -13.778 -5.297 1.00 64.22 H new ATOM 0 HB3 HIS A 45 15.252 -13.492 -4.868 1.00 64.22 H new ATOM 0 HD2 HIS A 45 16.636 -15.840 -3.899 1.00 70.25 H new ATOM 0 HE1 HIS A 45 13.748 -18.539 -5.438 1.00 13.10 H new ATOM 0 HE2 HIS A 45 16.088 -18.326 -4.461 1.00 61.30 H new ATOM 670 N GLY A 46 11.650 -13.215 -2.408 1.00 41.31 N ATOM 671 CA GLY A 46 10.291 -13.605 -2.084 1.00 34.33 C ATOM 672 C GLY A 46 9.794 -12.968 -0.801 1.00 45.42 C ATOM 673 O GLY A 46 8.609 -13.046 -0.477 1.00 71.22 O ATOM 0 H GLY A 46 11.864 -12.232 -2.243 1.00 41.31 H new ATOM 0 HA2 GLY A 46 9.631 -13.325 -2.905 1.00 34.33 H new ATOM 0 HA3 GLY A 46 10.240 -14.690 -1.991 1.00 34.33 H new ATOM 677 N THR A 47 10.704 -12.335 -0.066 1.00 51.44 N ATOM 678 CA THR A 47 10.353 -11.683 1.189 1.00 23.44 C ATOM 679 C THR A 47 9.933 -10.236 0.960 1.00 74.33 C ATOM 680 O THR A 47 10.732 -9.410 0.522 1.00 2.40 O ATOM 681 CB THR A 47 11.529 -11.713 2.185 1.00 54.44 C ATOM 682 OG1 THR A 47 11.840 -13.065 2.535 1.00 31.55 O ATOM 683 CG2 THR A 47 11.194 -10.922 3.440 1.00 1.33 C ATOM 0 H THR A 47 11.689 -12.260 -0.319 1.00 51.44 H new ATOM 0 HA THR A 47 9.515 -12.238 1.610 1.00 23.44 H new ATOM 0 HB THR A 47 12.394 -11.255 1.706 1.00 54.44 H new ATOM 0 HG1 THR A 47 12.372 -13.076 3.358 1.00 31.55 H new ATOM 0 HG21 THR A 47 12.038 -10.957 4.128 1.00 1.33 H new ATOM 0 HG22 THR A 47 10.987 -9.886 3.173 1.00 1.33 H new ATOM 0 HG23 THR A 47 10.316 -11.355 3.920 1.00 1.33 H new ATOM 691 N ALA A 48 8.673 -9.937 1.258 1.00 13.33 N ATOM 692 CA ALA A 48 8.147 -8.588 1.087 1.00 71.13 C ATOM 693 C ALA A 48 8.597 -7.675 2.222 1.00 11.10 C ATOM 694 O ALA A 48 8.680 -8.097 3.376 1.00 43.44 O ATOM 695 CB ALA A 48 6.628 -8.620 1.003 1.00 20.53 C ATOM 0 H ALA A 48 7.997 -10.611 1.619 1.00 13.33 H new ATOM 0 HA ALA A 48 8.543 -8.186 0.154 1.00 71.13 H new ATOM 0 HB1 ALA A 48 6.249 -7.606 0.875 1.00 20.53 H new ATOM 0 HB2 ALA A 48 6.323 -9.231 0.153 1.00 20.53 H new ATOM 0 HB3 ALA A 48 6.222 -9.046 1.920 1.00 20.53 H new ATOM 701 N VAL A 49 8.887 -6.421 1.888 1.00 71.54 N ATOM 702 CA VAL A 49 9.328 -5.448 2.879 1.00 22.24 C ATOM 703 C VAL A 49 8.536 -4.151 2.766 1.00 1.54 C ATOM 704 O VAL A 49 8.351 -3.618 1.672 1.00 25.44 O ATOM 705 CB VAL A 49 10.829 -5.135 2.730 1.00 71.44 C ATOM 706 CG1 VAL A 49 11.306 -4.248 3.870 1.00 60.45 C ATOM 707 CG2 VAL A 49 11.638 -6.422 2.670 1.00 33.42 C ATOM 0 H VAL A 49 8.824 -6.056 0.938 1.00 71.54 H new ATOM 0 HA VAL A 49 9.153 -5.893 3.859 1.00 22.24 H new ATOM 0 HB VAL A 49 10.979 -4.595 1.795 1.00 71.44 H new ATOM 0 HG11 VAL A 49 12.368 -4.038 3.747 1.00 60.45 H new ATOM 0 HG12 VAL A 49 10.748 -3.312 3.861 1.00 60.45 H new ATOM 0 HG13 VAL A 49 11.144 -4.758 4.820 1.00 60.45 H new ATOM 0 HG21 VAL A 49 12.696 -6.182 2.565 1.00 33.42 H new ATOM 0 HG22 VAL A 49 11.485 -6.991 3.587 1.00 33.42 H new ATOM 0 HG23 VAL A 49 11.314 -7.016 1.815 1.00 33.42 H new ATOM 717 N GLU A 50 8.071 -3.647 3.905 1.00 14.41 N ATOM 718 CA GLU A 50 7.298 -2.411 3.933 1.00 14.51 C ATOM 719 C GLU A 50 8.213 -1.194 3.827 1.00 13.04 C ATOM 720 O GLU A 50 9.271 -1.142 4.455 1.00 21.44 O ATOM 721 CB GLU A 50 6.470 -2.330 5.217 1.00 13.44 C ATOM 722 CG GLU A 50 5.725 -1.015 5.380 1.00 44.00 C ATOM 723 CD GLU A 50 4.694 -0.790 4.291 1.00 1.03 C ATOM 724 OE1 GLU A 50 3.804 -1.651 4.131 1.00 32.14 O ATOM 725 OE2 GLU A 50 4.777 0.246 3.599 1.00 2.15 O ATOM 0 H GLU A 50 8.216 -4.075 4.819 1.00 14.41 H new ATOM 0 HA GLU A 50 6.625 -2.414 3.075 1.00 14.51 H new ATOM 0 HB2 GLU A 50 5.751 -3.149 5.228 1.00 13.44 H new ATOM 0 HB3 GLU A 50 7.129 -2.473 6.074 1.00 13.44 H new ATOM 0 HG2 GLU A 50 5.231 -1.000 6.352 1.00 44.00 H new ATOM 0 HG3 GLU A 50 6.441 -0.193 5.373 1.00 44.00 H new ATOM 732 N LEU A 51 7.798 -0.217 3.028 1.00 10.05 N ATOM 733 CA LEU A 51 8.580 1.000 2.839 1.00 54.11 C ATOM 734 C LEU A 51 7.866 2.205 3.442 1.00 13.35 C ATOM 735 O LEU A 51 7.038 2.853 2.801 1.00 42.00 O ATOM 736 CB LEU A 51 8.836 1.238 1.350 1.00 43.12 C ATOM 737 CG LEU A 51 9.613 0.142 0.619 1.00 4.41 C ATOM 738 CD1 LEU A 51 9.182 0.063 -0.837 1.00 61.30 C ATOM 739 CD2 LEU A 51 11.111 0.392 0.721 1.00 50.42 C ATOM 0 H LEU A 51 6.925 -0.244 2.501 1.00 10.05 H new ATOM 0 HA LEU A 51 9.534 0.873 3.350 1.00 54.11 H new ATOM 0 HB2 LEU A 51 7.875 1.367 0.853 1.00 43.12 H new ATOM 0 HB3 LEU A 51 9.380 2.176 1.241 1.00 43.12 H new ATOM 0 HG LEU A 51 9.391 -0.813 1.095 1.00 4.41 H new ATOM 0 HD11 LEU A 51 9.745 -0.722 -1.341 1.00 61.30 H new ATOM 0 HD12 LEU A 51 8.117 -0.164 -0.889 1.00 61.30 H new ATOM 0 HD13 LEU A 51 9.374 1.018 -1.326 1.00 61.30 H new ATOM 0 HD21 LEU A 51 11.648 -0.397 0.195 1.00 50.42 H new ATOM 0 HD22 LEU A 51 11.351 1.356 0.271 1.00 50.42 H new ATOM 0 HD23 LEU A 51 11.408 0.397 1.770 1.00 50.42 H new ATOM 751 N PRO A 52 8.193 2.516 4.705 1.00 4.14 N ATOM 752 CA PRO A 52 7.597 3.647 5.423 1.00 40.15 C ATOM 753 C PRO A 52 8.056 4.992 4.869 1.00 61.41 C ATOM 754 O PRO A 52 9.149 5.104 4.312 1.00 15.24 O ATOM 755 CB PRO A 52 8.097 3.461 6.857 1.00 30.33 C ATOM 756 CG PRO A 52 9.363 2.688 6.720 1.00 61.22 C ATOM 757 CD PRO A 52 9.172 1.788 5.530 1.00 32.25 C ATOM 0 HA PRO A 52 6.511 3.659 5.334 1.00 40.15 H new ATOM 0 HB2 PRO A 52 8.270 4.421 7.343 1.00 30.33 H new ATOM 0 HB3 PRO A 52 7.368 2.923 7.464 1.00 30.33 H new ATOM 0 HG2 PRO A 52 10.213 3.354 6.573 1.00 61.22 H new ATOM 0 HG3 PRO A 52 9.565 2.107 7.620 1.00 61.22 H new ATOM 0 HD2 PRO A 52 10.107 1.626 4.994 1.00 32.25 H new ATOM 0 HD3 PRO A 52 8.799 0.807 5.824 1.00 32.25 H new ATOM 765 N ASP A 53 7.216 6.009 5.025 1.00 32.54 N ATOM 766 CA ASP A 53 7.536 7.347 4.542 1.00 25.42 C ATOM 767 C ASP A 53 7.673 7.358 3.023 1.00 74.42 C ATOM 768 O ASP A 53 8.582 7.981 2.475 1.00 11.10 O ATOM 769 CB ASP A 53 8.830 7.848 5.186 1.00 12.32 C ATOM 770 CG ASP A 53 8.849 7.636 6.687 1.00 3.33 C ATOM 771 OD1 ASP A 53 7.769 7.707 7.310 1.00 64.30 O ATOM 772 OD2 ASP A 53 9.945 7.401 7.239 1.00 34.25 O ATOM 0 H ASP A 53 6.308 5.932 5.483 1.00 32.54 H new ATOM 0 HA ASP A 53 6.719 8.012 4.820 1.00 25.42 H new ATOM 0 HB2 ASP A 53 9.679 7.331 4.738 1.00 12.32 H new ATOM 0 HB3 ASP A 53 8.953 8.909 4.970 1.00 12.32 H new ATOM 777 N VAL A 54 6.763 6.663 2.347 1.00 21.52 N ATOM 778 CA VAL A 54 6.781 6.592 0.891 1.00 43.10 C ATOM 779 C VAL A 54 5.427 6.976 0.305 1.00 21.42 C ATOM 780 O VAL A 54 4.382 6.616 0.847 1.00 41.33 O ATOM 781 CB VAL A 54 7.159 5.181 0.402 1.00 51.20 C ATOM 782 CG1 VAL A 54 7.134 5.118 -1.118 1.00 4.14 C ATOM 783 CG2 VAL A 54 8.525 4.780 0.939 1.00 75.55 C ATOM 0 H VAL A 54 6.004 6.141 2.785 1.00 21.52 H new ATOM 0 HA VAL A 54 7.535 7.301 0.549 1.00 43.10 H new ATOM 0 HB VAL A 54 6.422 4.473 0.783 1.00 51.20 H new ATOM 0 HG11 VAL A 54 7.404 4.114 -1.445 1.00 4.14 H new ATOM 0 HG12 VAL A 54 6.133 5.360 -1.476 1.00 4.14 H new ATOM 0 HG13 VAL A 54 7.847 5.835 -1.524 1.00 4.14 H new ATOM 0 HG21 VAL A 54 8.776 3.781 0.584 1.00 75.55 H new ATOM 0 HG22 VAL A 54 9.276 5.489 0.590 1.00 75.55 H new ATOM 0 HG23 VAL A 54 8.503 4.783 2.029 1.00 75.55 H new ATOM 793 N GLN A 55 5.454 7.707 -0.804 1.00 61.34 N ATOM 794 CA GLN A 55 4.228 8.139 -1.464 1.00 14.22 C ATOM 795 C GLN A 55 4.290 7.865 -2.963 1.00 34.13 C ATOM 796 O GLN A 55 3.326 7.381 -3.557 1.00 73.21 O ATOM 797 CB GLN A 55 3.988 9.629 -1.215 1.00 42.44 C ATOM 798 CG GLN A 55 4.010 10.012 0.256 1.00 43.34 C ATOM 799 CD GLN A 55 5.404 10.346 0.751 1.00 73.20 C ATOM 800 OE1 GLN A 55 5.961 9.641 1.594 1.00 53.54 O ATOM 801 NE2 GLN A 55 5.975 11.425 0.229 1.00 64.30 N ATOM 0 H GLN A 55 6.311 8.013 -1.265 1.00 61.34 H new ATOM 0 HA GLN A 55 3.399 7.569 -1.044 1.00 14.22 H new ATOM 0 HB2 GLN A 55 4.749 10.204 -1.743 1.00 42.44 H new ATOM 0 HB3 GLN A 55 3.024 9.909 -1.640 1.00 42.44 H new ATOM 0 HG2 GLN A 55 3.357 10.870 0.414 1.00 43.34 H new ATOM 0 HG3 GLN A 55 3.605 9.191 0.848 1.00 43.34 H new ATOM 0 HE21 GLN A 55 5.476 11.980 -0.467 1.00 64.30 H new ATOM 0 HE22 GLN A 55 6.912 11.699 0.524 1.00 64.30 H new ATOM 810 N THR A 56 5.430 8.178 -3.570 1.00 61.11 N ATOM 811 CA THR A 56 5.618 7.967 -5.000 1.00 34.21 C ATOM 812 C THR A 56 5.535 6.486 -5.353 1.00 12.14 C ATOM 813 O THR A 56 6.491 5.737 -5.154 1.00 74.23 O ATOM 814 CB THR A 56 6.973 8.521 -5.477 1.00 2.54 C ATOM 815 OG1 THR A 56 8.042 7.863 -4.787 1.00 53.12 O ATOM 816 CG2 THR A 56 7.058 10.022 -5.239 1.00 71.40 C ATOM 0 H THR A 56 6.238 8.579 -3.093 1.00 61.11 H new ATOM 0 HA THR A 56 4.816 8.504 -5.506 1.00 34.21 H new ATOM 0 HB THR A 56 7.061 8.333 -6.547 1.00 2.54 H new ATOM 0 HG1 THR A 56 7.835 6.909 -4.696 1.00 53.12 H new ATOM 0 HG21 THR A 56 8.024 10.391 -5.584 1.00 71.40 H new ATOM 0 HG22 THR A 56 6.261 10.523 -5.788 1.00 71.40 H new ATOM 0 HG23 THR A 56 6.950 10.228 -4.174 1.00 71.40 H new ATOM 824 N ALA A 57 4.386 6.071 -5.877 1.00 64.12 N ATOM 825 CA ALA A 57 4.180 4.680 -6.260 1.00 64.32 C ATOM 826 C ALA A 57 3.972 4.550 -7.765 1.00 62.32 C ATOM 827 O ALA A 57 3.636 5.512 -8.455 1.00 41.42 O ATOM 828 CB ALA A 57 2.993 4.096 -5.509 1.00 22.32 C ATOM 0 H ALA A 57 3.584 6.678 -6.046 1.00 64.12 H new ATOM 0 HA ALA A 57 5.076 4.119 -5.994 1.00 64.32 H new ATOM 0 HB1 ALA A 57 2.851 3.057 -5.805 1.00 22.32 H new ATOM 0 HB2 ALA A 57 3.181 4.145 -4.436 1.00 22.32 H new ATOM 0 HB3 ALA A 57 2.095 4.667 -5.747 1.00 22.32 H new ATOM 834 N PRO A 58 4.177 3.332 -8.289 1.00 32.23 N ATOM 835 CA PRO A 58 4.017 3.048 -9.718 1.00 23.51 C ATOM 836 C PRO A 58 2.559 3.100 -10.160 1.00 51.22 C ATOM 837 O PRO A 58 1.679 3.483 -9.389 1.00 2.21 O ATOM 838 CB PRO A 58 4.568 1.627 -9.861 1.00 23.55 C ATOM 839 CG PRO A 58 4.399 1.017 -8.512 1.00 0.45 C ATOM 840 CD PRO A 58 4.579 2.138 -7.526 1.00 11.45 C ATOM 0 HA PRO A 58 4.529 3.783 -10.339 1.00 23.51 H new ATOM 0 HB2 PRO A 58 4.023 1.066 -10.620 1.00 23.55 H new ATOM 0 HB3 PRO A 58 5.615 1.637 -10.162 1.00 23.55 H new ATOM 0 HG2 PRO A 58 3.414 0.562 -8.410 1.00 0.45 H new ATOM 0 HG3 PRO A 58 5.133 0.229 -8.345 1.00 0.45 H new ATOM 0 HD2 PRO A 58 3.958 1.999 -6.641 1.00 11.45 H new ATOM 0 HD3 PRO A 58 5.611 2.209 -7.183 1.00 11.45 H new ATOM 848 N VAL A 59 2.309 2.713 -11.407 1.00 20.30 N ATOM 849 CA VAL A 59 0.957 2.714 -11.951 1.00 55.35 C ATOM 850 C VAL A 59 0.247 1.396 -11.664 1.00 52.02 C ATOM 851 O VAL A 59 0.862 0.437 -11.198 1.00 54.15 O ATOM 852 CB VAL A 59 0.964 2.960 -13.472 1.00 71.00 C ATOM 853 CG1 VAL A 59 1.572 4.318 -13.791 1.00 35.52 C ATOM 854 CG2 VAL A 59 1.717 1.848 -14.187 1.00 50.42 C ATOM 0 H VAL A 59 3.026 2.395 -12.059 1.00 20.30 H new ATOM 0 HA VAL A 59 0.420 3.526 -11.461 1.00 55.35 H new ATOM 0 HB VAL A 59 -0.066 2.958 -13.828 1.00 71.00 H new ATOM 0 HG11 VAL A 59 1.568 4.474 -14.870 1.00 35.52 H new ATOM 0 HG12 VAL A 59 0.986 5.101 -13.309 1.00 35.52 H new ATOM 0 HG13 VAL A 59 2.597 4.353 -13.423 1.00 35.52 H new ATOM 0 HG21 VAL A 59 1.712 2.037 -15.260 1.00 50.42 H new ATOM 0 HG22 VAL A 59 2.746 1.816 -13.829 1.00 50.42 H new ATOM 0 HG23 VAL A 59 1.233 0.893 -13.985 1.00 50.42 H new ATOM 864 N ALA A 60 -1.051 1.356 -11.946 1.00 34.43 N ATOM 865 CA ALA A 60 -1.845 0.154 -11.720 1.00 20.00 C ATOM 866 C ALA A 60 -1.308 -1.019 -12.533 1.00 73.12 C ATOM 867 O ALA A 60 -0.339 -0.877 -13.278 1.00 31.32 O ATOM 868 CB ALA A 60 -3.304 0.413 -12.063 1.00 54.14 C ATOM 0 H ALA A 60 -1.575 2.142 -12.331 1.00 34.43 H new ATOM 0 HA ALA A 60 -1.773 -0.106 -10.664 1.00 20.00 H new ATOM 0 HB1 ALA A 60 -3.885 -0.493 -11.890 1.00 54.14 H new ATOM 0 HB2 ALA A 60 -3.688 1.216 -11.435 1.00 54.14 H new ATOM 0 HB3 ALA A 60 -3.386 0.701 -13.111 1.00 54.14 H new ATOM 874 N GLU A 61 -1.945 -2.177 -12.384 1.00 43.35 N ATOM 875 CA GLU A 61 -1.529 -3.374 -13.105 1.00 22.31 C ATOM 876 C GLU A 61 -2.596 -4.461 -13.016 1.00 34.10 C ATOM 877 O GLU A 61 -3.009 -4.855 -11.925 1.00 13.24 O ATOM 878 CB GLU A 61 -0.204 -3.898 -12.546 1.00 72.42 C ATOM 879 CG GLU A 61 0.480 -4.910 -13.450 1.00 71.21 C ATOM 880 CD GLU A 61 -0.153 -6.286 -13.370 1.00 52.31 C ATOM 881 OE1 GLU A 61 -0.329 -6.792 -12.242 1.00 71.52 O ATOM 882 OE2 GLU A 61 -0.472 -6.855 -14.434 1.00 74.44 O ATOM 0 H GLU A 61 -2.750 -2.311 -11.772 1.00 43.35 H new ATOM 0 HA GLU A 61 -1.393 -3.107 -14.153 1.00 22.31 H new ATOM 0 HB2 GLU A 61 0.469 -3.057 -12.382 1.00 72.42 H new ATOM 0 HB3 GLU A 61 -0.385 -4.356 -11.574 1.00 72.42 H new ATOM 0 HG2 GLU A 61 0.441 -4.556 -14.480 1.00 71.21 H new ATOM 0 HG3 GLU A 61 1.533 -4.982 -13.177 1.00 71.21 H new ATOM 889 N THR A 62 -3.041 -4.942 -14.173 1.00 24.30 N ATOM 890 CA THR A 62 -4.061 -5.982 -14.227 1.00 42.42 C ATOM 891 C THR A 62 -4.043 -6.700 -15.572 1.00 21.04 C ATOM 892 O THR A 62 -4.374 -6.116 -16.603 1.00 75.14 O ATOM 893 CB THR A 62 -5.467 -5.401 -13.987 1.00 33.31 C ATOM 894 OG1 THR A 62 -5.526 -4.049 -14.454 1.00 63.02 O ATOM 895 CG2 THR A 62 -5.827 -5.449 -12.510 1.00 0.35 C ATOM 0 H THR A 62 -2.711 -4.628 -15.085 1.00 24.30 H new ATOM 0 HA THR A 62 -3.830 -6.694 -13.435 1.00 42.42 H new ATOM 0 HB THR A 62 -6.185 -6.007 -14.540 1.00 33.31 H new ATOM 0 HG1 THR A 62 -6.424 -3.688 -14.299 1.00 63.02 H new ATOM 0 HG21 THR A 62 -6.824 -5.033 -12.365 1.00 0.35 H new ATOM 0 HG22 THR A 62 -5.811 -6.483 -12.165 1.00 0.35 H new ATOM 0 HG23 THR A 62 -5.104 -4.865 -11.940 1.00 0.35 H new ATOM 903 N VAL A 63 -3.654 -7.971 -15.553 1.00 71.10 N ATOM 904 CA VAL A 63 -3.595 -8.770 -16.771 1.00 61.31 C ATOM 905 C VAL A 63 -3.995 -10.216 -16.500 1.00 31.13 C ATOM 906 O VAL A 63 -3.357 -10.909 -15.709 1.00 31.32 O ATOM 907 CB VAL A 63 -2.184 -8.747 -17.390 1.00 34.05 C ATOM 908 CG1 VAL A 63 -2.142 -9.591 -18.654 1.00 64.30 C ATOM 909 CG2 VAL A 63 -1.753 -7.317 -17.679 1.00 34.15 C ATOM 0 H VAL A 63 -3.375 -8.469 -14.708 1.00 71.10 H new ATOM 0 HA VAL A 63 -4.300 -8.327 -17.474 1.00 61.31 H new ATOM 0 HB VAL A 63 -1.484 -9.175 -16.673 1.00 34.05 H new ATOM 0 HG11 VAL A 63 -1.138 -9.563 -19.077 1.00 64.30 H new ATOM 0 HG12 VAL A 63 -2.405 -10.621 -18.413 1.00 64.30 H new ATOM 0 HG13 VAL A 63 -2.853 -9.195 -19.380 1.00 64.30 H new ATOM 0 HG21 VAL A 63 -0.754 -7.319 -18.116 1.00 34.15 H new ATOM 0 HG22 VAL A 63 -2.454 -6.860 -18.378 1.00 34.15 H new ATOM 0 HG23 VAL A 63 -1.742 -6.746 -16.751 1.00 34.15 H new ATOM 919 N ASN A 64 -5.056 -10.665 -17.162 1.00 54.23 N ATOM 920 CA ASN A 64 -5.543 -12.029 -16.993 1.00 24.34 C ATOM 921 C ASN A 64 -4.442 -13.041 -17.298 1.00 10.21 C ATOM 922 O ASN A 64 -3.342 -12.672 -17.712 1.00 31.11 O ATOM 923 CB ASN A 64 -6.748 -12.280 -17.901 1.00 63.13 C ATOM 924 CG ASN A 64 -7.799 -11.194 -17.780 1.00 34.32 C ATOM 925 OD1 ASN A 64 -7.774 -10.205 -18.512 1.00 61.23 O ATOM 926 ND2 ASN A 64 -8.731 -11.375 -16.851 1.00 11.41 N ATOM 0 H ASN A 64 -5.595 -10.104 -17.821 1.00 54.23 H new ATOM 0 HA ASN A 64 -5.849 -12.153 -15.954 1.00 24.34 H new ATOM 0 HB2 ASN A 64 -6.413 -12.343 -18.936 1.00 63.13 H new ATOM 0 HB3 ASN A 64 -7.194 -13.243 -17.651 1.00 63.13 H new ATOM 0 HD21 ASN A 64 -9.465 -10.678 -16.722 1.00 11.41 H new ATOM 0 HD22 ASN A 64 -8.713 -12.211 -16.266 1.00 11.41 H new ATOM 933 N LEU A 65 -4.746 -14.317 -17.091 1.00 62.45 N ATOM 934 CA LEU A 65 -3.783 -15.384 -17.345 1.00 51.32 C ATOM 935 C LEU A 65 -4.049 -16.049 -18.692 1.00 12.41 C ATOM 936 O LEU A 65 -4.855 -16.974 -18.789 1.00 63.45 O ATOM 937 CB LEU A 65 -3.842 -16.427 -16.228 1.00 4.10 C ATOM 938 CG LEU A 65 -2.548 -17.196 -15.959 1.00 64.04 C ATOM 939 CD1 LEU A 65 -2.119 -17.968 -17.197 1.00 64.04 C ATOM 940 CD2 LEU A 65 -1.446 -16.246 -15.512 1.00 63.44 C ATOM 0 H LEU A 65 -5.651 -14.639 -16.748 1.00 62.45 H new ATOM 0 HA LEU A 65 -2.787 -14.942 -17.369 1.00 51.32 H new ATOM 0 HB2 LEU A 65 -4.142 -15.927 -15.307 1.00 4.10 H new ATOM 0 HB3 LEU A 65 -4.625 -17.146 -16.470 1.00 4.10 H new ATOM 0 HG LEU A 65 -2.732 -17.910 -15.156 1.00 64.04 H new ATOM 0 HD11 LEU A 65 -1.196 -18.509 -16.987 1.00 64.04 H new ATOM 0 HD12 LEU A 65 -2.900 -18.676 -17.473 1.00 64.04 H new ATOM 0 HD13 LEU A 65 -1.952 -17.273 -18.020 1.00 64.04 H new ATOM 0 HD21 LEU A 65 -0.533 -16.811 -15.325 1.00 63.44 H new ATOM 0 HD22 LEU A 65 -1.263 -15.508 -16.293 1.00 63.44 H new ATOM 0 HD23 LEU A 65 -1.752 -15.738 -14.597 1.00 63.44 H new ATOM 952 N TRP A 66 -3.366 -15.572 -19.726 1.00 52.12 N ATOM 953 CA TRP A 66 -3.527 -16.122 -21.067 1.00 55.03 C ATOM 954 C TRP A 66 -4.992 -16.106 -21.490 1.00 14.22 C ATOM 955 O TRP A 66 -5.483 -17.058 -22.096 1.00 3.04 O ATOM 956 CB TRP A 66 -2.983 -17.550 -21.124 1.00 33.32 C ATOM 957 CG TRP A 66 -1.490 -17.613 -21.239 1.00 73.14 C ATOM 958 CD1 TRP A 66 -0.632 -18.287 -20.418 1.00 13.44 C ATOM 959 CD2 TRP A 66 -0.680 -16.976 -22.233 1.00 73.24 C ATOM 960 NE1 TRP A 66 0.663 -18.107 -20.841 1.00 15.30 N ATOM 961 CE2 TRP A 66 0.660 -17.308 -21.953 1.00 50.45 C ATOM 962 CE3 TRP A 66 -0.957 -16.160 -23.334 1.00 25.24 C ATOM 963 CZ2 TRP A 66 1.718 -16.849 -22.734 1.00 22.53 C ATOM 964 CZ3 TRP A 66 0.095 -15.706 -24.107 1.00 31.12 C ATOM 965 CH2 TRP A 66 1.419 -16.052 -23.805 1.00 33.03 C ATOM 0 H TRP A 66 -2.696 -14.806 -19.662 1.00 52.12 H new ATOM 0 HA TRP A 66 -2.962 -15.497 -21.759 1.00 55.03 H new ATOM 0 HB2 TRP A 66 -3.294 -18.086 -20.227 1.00 33.32 H new ATOM 0 HB3 TRP A 66 -3.428 -18.067 -21.974 1.00 33.32 H new ATOM 0 HD1 TRP A 66 -0.928 -18.875 -19.562 1.00 13.44 H new ATOM 0 HE1 TRP A 66 1.492 -18.504 -20.399 1.00 15.30 H new ATOM 0 HE3 TRP A 66 -1.974 -15.889 -23.576 1.00 25.24 H new ATOM 0 HZ2 TRP A 66 2.739 -17.113 -22.502 1.00 22.53 H new ATOM 0 HZ3 TRP A 66 -0.107 -15.073 -24.959 1.00 31.12 H new ATOM 0 HH2 TRP A 66 2.219 -15.682 -24.430 1.00 33.03 H new ATOM 976 N GLU A 67 -5.685 -15.018 -21.166 1.00 73.43 N ATOM 977 CA GLU A 67 -7.095 -14.881 -21.513 1.00 0.51 C ATOM 978 C GLU A 67 -7.302 -13.740 -22.506 1.00 32.24 C ATOM 979 O GLU A 67 -8.324 -13.055 -22.476 1.00 52.52 O ATOM 980 CB GLU A 67 -7.931 -14.635 -20.255 1.00 43.50 C ATOM 981 CG GLU A 67 -9.377 -15.082 -20.388 1.00 2.51 C ATOM 982 CD GLU A 67 -10.157 -14.924 -19.097 1.00 70.13 C ATOM 983 OE1 GLU A 67 -10.111 -13.824 -18.507 1.00 64.41 O ATOM 984 OE2 GLU A 67 -10.813 -15.900 -18.677 1.00 54.23 O ATOM 0 H GLU A 67 -5.294 -14.220 -20.665 1.00 73.43 H new ATOM 0 HA GLU A 67 -7.420 -15.810 -21.980 1.00 0.51 H new ATOM 0 HB2 GLU A 67 -7.473 -15.160 -19.416 1.00 43.50 H new ATOM 0 HB3 GLU A 67 -7.909 -13.572 -20.016 1.00 43.50 H new ATOM 0 HG2 GLU A 67 -9.862 -14.503 -21.174 1.00 2.51 H new ATOM 0 HG3 GLU A 67 -9.404 -16.126 -20.699 1.00 2.51 H new ATOM 991 N VAL A 68 -6.324 -13.543 -23.384 1.00 11.11 N ATOM 992 CA VAL A 68 -6.398 -12.487 -24.386 1.00 52.42 C ATOM 993 C VAL A 68 -6.873 -13.034 -25.727 1.00 74.14 C ATOM 994 O VAL A 68 -7.437 -12.304 -26.542 1.00 33.13 O ATOM 995 CB VAL A 68 -5.033 -11.799 -24.579 1.00 74.32 C ATOM 996 CG1 VAL A 68 -4.027 -12.769 -25.179 1.00 61.30 C ATOM 997 CG2 VAL A 68 -5.179 -10.562 -25.452 1.00 52.01 C ATOM 0 H VAL A 68 -5.471 -14.101 -23.422 1.00 11.11 H new ATOM 0 HA VAL A 68 -7.117 -11.754 -24.020 1.00 52.42 H new ATOM 0 HB VAL A 68 -4.662 -11.485 -23.603 1.00 74.32 H new ATOM 0 HG11 VAL A 68 -3.069 -12.266 -25.308 1.00 61.30 H new ATOM 0 HG12 VAL A 68 -3.902 -13.622 -24.512 1.00 61.30 H new ATOM 0 HG13 VAL A 68 -4.388 -13.115 -26.147 1.00 61.30 H new ATOM 0 HG21 VAL A 68 -4.205 -10.089 -25.578 1.00 52.01 H new ATOM 0 HG22 VAL A 68 -5.572 -10.849 -26.427 1.00 52.01 H new ATOM 0 HG23 VAL A 68 -5.865 -9.860 -24.977 1.00 52.01 H new ATOM 1007 N GLU A 69 -6.642 -14.324 -25.949 1.00 62.24 N ATOM 1008 CA GLU A 69 -7.046 -14.969 -27.193 1.00 34.31 C ATOM 1009 C GLU A 69 -8.567 -14.989 -27.326 1.00 25.31 C ATOM 1010 O GLU A 69 -9.234 -15.892 -26.818 1.00 45.45 O ATOM 1011 CB GLU A 69 -6.499 -16.397 -27.254 1.00 53.14 C ATOM 1012 CG GLU A 69 -6.932 -17.162 -28.494 1.00 41.30 C ATOM 1013 CD GLU A 69 -6.408 -16.542 -29.775 1.00 5.44 C ATOM 1014 OE1 GLU A 69 -5.285 -15.995 -29.753 1.00 53.55 O ATOM 1015 OE2 GLU A 69 -7.120 -16.604 -30.798 1.00 53.13 O ATOM 0 H GLU A 69 -6.178 -14.943 -25.284 1.00 62.24 H new ATOM 0 HA GLU A 69 -6.633 -14.394 -28.022 1.00 34.31 H new ATOM 0 HB2 GLU A 69 -5.410 -16.362 -27.221 1.00 53.14 H new ATOM 0 HB3 GLU A 69 -6.827 -16.941 -26.368 1.00 53.14 H new ATOM 0 HG2 GLU A 69 -6.580 -18.191 -28.423 1.00 41.30 H new ATOM 0 HG3 GLU A 69 -8.021 -17.199 -28.532 1.00 41.30 H new ATOM 1022 N HIS A 70 -9.108 -13.987 -28.011 1.00 60.34 N ATOM 1023 CA HIS A 70 -10.549 -13.889 -28.212 1.00 34.04 C ATOM 1024 C HIS A 70 -10.897 -13.942 -29.696 1.00 45.13 C ATOM 1025 O HIS A 70 -11.689 -14.779 -30.130 1.00 14.43 O ATOM 1026 CB HIS A 70 -11.084 -12.595 -27.597 1.00 21.23 C ATOM 1027 CG HIS A 70 -12.546 -12.645 -27.274 1.00 43.42 C ATOM 1028 ND1 HIS A 70 -13.403 -11.589 -27.504 1.00 31.34 N ATOM 1029 CD2 HIS A 70 -13.301 -13.632 -26.738 1.00 53.43 C ATOM 1030 CE1 HIS A 70 -14.622 -11.924 -27.121 1.00 74.32 C ATOM 1031 NE2 HIS A 70 -14.588 -13.159 -26.653 1.00 62.04 N ATOM 0 H HIS A 70 -8.570 -13.232 -28.436 1.00 60.34 H new ATOM 0 HA HIS A 70 -11.018 -14.740 -27.717 1.00 34.04 H new ATOM 0 HB2 HIS A 70 -10.526 -12.378 -26.686 1.00 21.23 H new ATOM 0 HB3 HIS A 70 -10.901 -11.771 -28.287 1.00 21.23 H new ATOM 0 HD2 HIS A 70 -12.956 -14.609 -26.434 1.00 53.43 H new ATOM 0 HE1 HIS A 70 -15.498 -11.295 -27.180 1.00 74.32 H new ATOM 0 HE2 HIS A 70 -15.387 -13.677 -26.288 1.00 62.04 H new ATOM 1039 N HIS A 71 -10.298 -13.043 -30.471 1.00 54.34 N ATOM 1040 CA HIS A 71 -10.545 -12.987 -31.908 1.00 44.00 C ATOM 1041 C HIS A 71 -9.951 -14.205 -32.609 1.00 23.23 C ATOM 1042 O HIS A 71 -8.928 -14.742 -32.181 1.00 10.30 O ATOM 1043 CB HIS A 71 -9.954 -11.706 -32.499 1.00 34.23 C ATOM 1044 CG HIS A 71 -10.387 -11.442 -33.908 1.00 12.41 C ATOM 1045 ND1 HIS A 71 -11.703 -11.236 -34.265 1.00 71.41 N ATOM 1046 CD2 HIS A 71 -9.669 -11.348 -35.052 1.00 14.44 C ATOM 1047 CE1 HIS A 71 -11.776 -11.029 -35.568 1.00 33.33 C ATOM 1048 NE2 HIS A 71 -10.556 -11.091 -36.069 1.00 23.13 N ATOM 0 H HIS A 71 -9.639 -12.344 -30.129 1.00 54.34 H new ATOM 0 HA HIS A 71 -11.623 -12.988 -32.067 1.00 44.00 H new ATOM 0 HB2 HIS A 71 -10.242 -10.861 -31.874 1.00 34.23 H new ATOM 0 HB3 HIS A 71 -8.866 -11.769 -32.468 1.00 34.23 H new ATOM 0 HD2 HIS A 71 -8.599 -11.455 -35.147 1.00 14.44 H new ATOM 0 HE1 HIS A 71 -12.680 -10.841 -36.128 1.00 33.33 H new ATOM 0 HE2 HIS A 71 -10.312 -10.968 -37.052 1.00 23.13 H new TER 1056 HIS A 71