USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 510 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 NoAdj : A 12 ASNHD21 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 12 ASNHD22 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.0749 (180deg=-0.809) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.125 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= -0.126 (180deg=-1.93!) USER MOD Single : A 27 SER OG : rot 86:sc= 0.0814 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00929 K(o=-0.0093,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.66! C(o=-6.7!,f=-15!) USER MOD Single : A 55 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 56 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -38:sc= 1.1 USER MOD Single : A 66 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.880 5.663 -5.821 1.00 44.23 N ATOM 2 CA MET A 1 0.775 6.395 -4.564 1.00 60.34 C ATOM 3 C MET A 1 0.699 5.435 -3.382 1.00 20.15 C ATOM 4 O MET A 1 -0.260 4.675 -3.247 1.00 12.42 O ATOM 5 CB MET A 1 -0.457 7.303 -4.579 1.00 65.32 C ATOM 6 CG MET A 1 -0.573 8.148 -5.837 1.00 0.41 C ATOM 7 SD MET A 1 -1.956 7.652 -6.882 1.00 40.32 S ATOM 8 CE MET A 1 -1.931 8.953 -8.114 1.00 72.33 C ATOM 0 H1 MET A 1 1.459 6.207 -6.492 1.00 44.23 H new ATOM 0 H2 MET A 1 1.326 4.739 -5.649 1.00 44.23 H new ATOM 0 H3 MET A 1 -0.070 5.520 -6.220 1.00 44.23 H new ATOM 0 HA MET A 1 1.669 7.009 -4.454 1.00 60.34 H new ATOM 0 HB2 MET A 1 -1.352 6.689 -4.480 1.00 65.32 H new ATOM 0 HB3 MET A 1 -0.424 7.961 -3.711 1.00 65.32 H new ATOM 0 HG2 MET A 1 -0.691 9.195 -5.557 1.00 0.41 H new ATOM 0 HG3 MET A 1 0.353 8.073 -6.407 1.00 0.41 H new ATOM 0 HE1 MET A 1 -2.731 8.787 -8.835 1.00 72.33 H new ATOM 0 HE2 MET A 1 -2.076 9.918 -7.628 1.00 72.33 H new ATOM 0 HE3 MET A 1 -0.971 8.947 -8.630 1.00 72.33 H new ATOM 18 N ALA A 2 1.716 5.473 -2.527 1.00 1.42 N ATOM 19 CA ALA A 2 1.763 4.608 -1.355 1.00 22.35 C ATOM 20 C ALA A 2 1.963 5.421 -0.080 1.00 21.53 C ATOM 21 O ALA A 2 2.474 4.912 0.916 1.00 34.23 O ATOM 22 CB ALA A 2 2.871 3.576 -1.505 1.00 51.21 C ATOM 0 H ALA A 2 2.519 6.094 -2.625 1.00 1.42 H new ATOM 0 HA ALA A 2 0.807 4.090 -1.278 1.00 22.35 H new ATOM 0 HB1 ALA A 2 2.895 2.937 -0.622 1.00 51.21 H new ATOM 0 HB2 ALA A 2 2.684 2.967 -2.389 1.00 51.21 H new ATOM 0 HB3 ALA A 2 3.830 4.084 -1.611 1.00 51.21 H new ATOM 28 N GLU A 3 1.558 6.686 -0.120 1.00 70.22 N ATOM 29 CA GLU A 3 1.695 7.569 1.032 1.00 71.10 C ATOM 30 C GLU A 3 0.326 7.984 1.565 1.00 51.25 C ATOM 31 O GLU A 3 0.199 8.412 2.711 1.00 32.01 O ATOM 32 CB GLU A 3 2.507 8.810 0.658 1.00 61.21 C ATOM 33 CG GLU A 3 3.903 8.492 0.146 1.00 13.50 C ATOM 34 CD GLU A 3 4.037 8.703 -1.349 1.00 72.03 C ATOM 35 OE1 GLU A 3 3.649 9.787 -1.833 1.00 52.04 O ATOM 36 OE2 GLU A 3 4.530 7.784 -2.035 1.00 44.22 O ATOM 0 H GLU A 3 1.132 7.122 -0.938 1.00 70.22 H new ATOM 0 HA GLU A 3 2.221 7.023 1.816 1.00 71.10 H new ATOM 0 HB2 GLU A 3 1.968 9.370 -0.106 1.00 61.21 H new ATOM 0 HB3 GLU A 3 2.588 9.458 1.531 1.00 61.21 H new ATOM 0 HG2 GLU A 3 4.628 9.120 0.664 1.00 13.50 H new ATOM 0 HG3 GLU A 3 4.147 7.457 0.387 1.00 13.50 H new ATOM 43 N ALA A 4 -0.694 7.857 0.722 1.00 64.12 N ATOM 44 CA ALA A 4 -2.052 8.217 1.107 1.00 13.21 C ATOM 45 C ALA A 4 -2.457 7.525 2.404 1.00 14.10 C ATOM 46 O ALA A 4 -3.311 8.018 3.143 1.00 70.44 O ATOM 47 CB ALA A 4 -3.027 7.867 -0.007 1.00 31.13 C ATOM 0 H ALA A 4 -0.605 7.507 -0.232 1.00 64.12 H new ATOM 0 HA ALA A 4 -2.082 9.293 1.276 1.00 13.21 H new ATOM 0 HB1 ALA A 4 -4.038 8.142 0.295 1.00 31.13 H new ATOM 0 HB2 ALA A 4 -2.757 8.413 -0.911 1.00 31.13 H new ATOM 0 HB3 ALA A 4 -2.985 6.796 -0.204 1.00 31.13 H new ATOM 53 N LEU A 5 -1.842 6.379 2.675 1.00 12.12 N ATOM 54 CA LEU A 5 -2.139 5.618 3.883 1.00 15.03 C ATOM 55 C LEU A 5 -1.791 6.422 5.132 1.00 33.33 C ATOM 56 O LEU A 5 -2.497 6.360 6.139 1.00 13.50 O ATOM 57 CB LEU A 5 -1.367 4.298 3.881 1.00 25.34 C ATOM 58 CG LEU A 5 -1.216 3.611 2.523 1.00 4.44 C ATOM 59 CD1 LEU A 5 -0.578 2.240 2.686 1.00 41.01 C ATOM 60 CD2 LEU A 5 -2.566 3.495 1.832 1.00 63.23 C ATOM 0 H LEU A 5 -1.134 5.956 2.074 1.00 12.12 H new ATOM 0 HA LEU A 5 -3.208 5.406 3.896 1.00 15.03 H new ATOM 0 HB2 LEU A 5 -0.372 4.482 4.286 1.00 25.34 H new ATOM 0 HB3 LEU A 5 -1.865 3.608 4.562 1.00 25.34 H new ATOM 0 HG LEU A 5 -0.562 4.221 1.899 1.00 4.44 H new ATOM 0 HD11 LEU A 5 -0.479 1.766 1.709 1.00 41.01 H new ATOM 0 HD12 LEU A 5 0.408 2.349 3.138 1.00 41.01 H new ATOM 0 HD13 LEU A 5 -1.205 1.621 3.327 1.00 41.01 H new ATOM 0 HD21 LEU A 5 -2.440 3.004 0.867 1.00 63.23 H new ATOM 0 HD22 LEU A 5 -3.243 2.908 2.452 1.00 63.23 H new ATOM 0 HD23 LEU A 5 -2.984 4.490 1.681 1.00 63.23 H new ATOM 72 N PHE A 6 -0.700 7.176 5.060 1.00 25.41 N ATOM 73 CA PHE A 6 -0.258 7.993 6.184 1.00 52.04 C ATOM 74 C PHE A 6 -1.310 9.039 6.542 1.00 33.34 C ATOM 75 O PHE A 6 -1.675 9.196 7.708 1.00 74.22 O ATOM 76 CB PHE A 6 1.069 8.680 5.853 1.00 31.51 C ATOM 77 CG PHE A 6 1.382 9.841 6.752 1.00 24.10 C ATOM 78 CD1 PHE A 6 0.799 11.079 6.536 1.00 33.22 C ATOM 79 CD2 PHE A 6 2.261 9.695 7.814 1.00 71.50 C ATOM 80 CE1 PHE A 6 1.087 12.150 7.362 1.00 63.34 C ATOM 81 CE2 PHE A 6 2.553 10.761 8.643 1.00 44.31 C ATOM 82 CZ PHE A 6 1.964 11.990 8.417 1.00 43.21 C ATOM 0 H PHE A 6 -0.105 7.238 4.234 1.00 25.41 H new ATOM 0 HA PHE A 6 -0.115 7.338 7.043 1.00 52.04 H new ATOM 0 HB2 PHE A 6 1.875 7.949 5.922 1.00 31.51 H new ATOM 0 HB3 PHE A 6 1.042 9.027 4.820 1.00 31.51 H new ATOM 0 HD1 PHE A 6 0.112 11.209 5.713 1.00 33.22 H new ATOM 0 HD2 PHE A 6 2.723 8.736 7.996 1.00 71.50 H new ATOM 0 HE1 PHE A 6 0.627 13.110 7.182 1.00 63.34 H new ATOM 0 HE2 PHE A 6 3.240 10.634 9.466 1.00 44.31 H new ATOM 0 HZ PHE A 6 2.189 12.825 9.064 1.00 43.21 H new ATOM 92 N LYS A 7 -1.793 9.753 5.532 1.00 75.55 N ATOM 93 CA LYS A 7 -2.804 10.784 5.737 1.00 64.33 C ATOM 94 C LYS A 7 -4.175 10.162 5.978 1.00 60.42 C ATOM 95 O LYS A 7 -5.028 10.755 6.636 1.00 32.15 O ATOM 96 CB LYS A 7 -2.861 11.719 4.526 1.00 53.00 C ATOM 97 CG LYS A 7 -1.616 12.572 4.357 1.00 70.42 C ATOM 98 CD LYS A 7 -1.800 13.617 3.268 1.00 35.34 C ATOM 99 CE LYS A 7 -0.469 14.022 2.654 1.00 11.14 C ATOM 100 NZ LYS A 7 -0.431 13.758 1.190 1.00 24.13 N ATOM 0 H LYS A 7 -1.501 9.637 4.562 1.00 75.55 H new ATOM 0 HA LYS A 7 -2.526 11.360 6.620 1.00 64.33 H new ATOM 0 HB2 LYS A 7 -3.009 11.124 3.625 1.00 53.00 H new ATOM 0 HB3 LYS A 7 -3.728 12.372 4.622 1.00 53.00 H new ATOM 0 HG2 LYS A 7 -1.381 13.065 5.300 1.00 70.42 H new ATOM 0 HG3 LYS A 7 -0.767 11.934 4.111 1.00 70.42 H new ATOM 0 HD2 LYS A 7 -2.455 13.223 2.491 1.00 35.34 H new ATOM 0 HD3 LYS A 7 -2.292 14.496 3.685 1.00 35.34 H new ATOM 0 HE2 LYS A 7 -0.292 15.082 2.837 1.00 11.14 H new ATOM 0 HE3 LYS A 7 0.338 13.476 3.143 1.00 11.14 H new ATOM 0 HZ1 LYS A 7 0.492 14.047 0.809 1.00 24.13 H new ATOM 0 HZ2 LYS A 7 -0.574 12.743 1.017 1.00 24.13 H new ATOM 0 HZ3 LYS A 7 -1.185 14.299 0.720 1.00 24.13 H new ATOM 114 N GLU A 8 -4.379 8.963 5.442 1.00 64.15 N ATOM 115 CA GLU A 8 -5.646 8.260 5.599 1.00 14.11 C ATOM 116 C GLU A 8 -5.880 7.881 7.059 1.00 54.24 C ATOM 117 O GLU A 8 -6.990 8.016 7.576 1.00 3.41 O ATOM 118 CB GLU A 8 -5.673 7.006 4.724 1.00 32.21 C ATOM 119 CG GLU A 8 -7.025 6.314 4.693 1.00 73.14 C ATOM 120 CD GLU A 8 -7.263 5.556 3.401 1.00 21.44 C ATOM 121 OE1 GLU A 8 -6.812 4.395 3.303 1.00 13.15 O ATOM 122 OE2 GLU A 8 -7.899 6.122 2.488 1.00 15.31 O ATOM 0 H GLU A 8 -3.682 8.458 4.895 1.00 64.15 H new ATOM 0 HA GLU A 8 -6.445 8.930 5.283 1.00 14.11 H new ATOM 0 HB2 GLU A 8 -5.390 7.277 3.707 1.00 32.21 H new ATOM 0 HB3 GLU A 8 -4.923 6.303 5.087 1.00 32.21 H new ATOM 0 HG2 GLU A 8 -7.095 5.623 5.533 1.00 73.14 H new ATOM 0 HG3 GLU A 8 -7.812 7.056 4.825 1.00 73.14 H new ATOM 129 N ILE A 9 -4.828 7.406 7.716 1.00 30.10 N ATOM 130 CA ILE A 9 -4.917 7.007 9.116 1.00 53.34 C ATOM 131 C ILE A 9 -5.135 8.217 10.018 1.00 43.30 C ATOM 132 O ILE A 9 -5.661 8.093 11.124 1.00 74.13 O ATOM 133 CB ILE A 9 -3.649 6.261 9.571 1.00 33.30 C ATOM 134 CG1 ILE A 9 -3.512 4.937 8.816 1.00 52.41 C ATOM 135 CG2 ILE A 9 -3.687 6.020 11.073 1.00 75.32 C ATOM 136 CD1 ILE A 9 -4.614 3.948 9.127 1.00 64.35 C ATOM 0 H ILE A 9 -3.903 7.288 7.302 1.00 30.10 H new ATOM 0 HA ILE A 9 -5.772 6.336 9.200 1.00 53.34 H new ATOM 0 HB ILE A 9 -2.780 6.878 9.344 1.00 33.30 H new ATOM 0 HG12 ILE A 9 -3.507 5.138 7.745 1.00 52.41 H new ATOM 0 HG13 ILE A 9 -2.550 4.486 9.061 1.00 52.41 H new ATOM 0 HG21 ILE A 9 -2.784 5.492 11.380 1.00 75.32 H new ATOM 0 HG22 ILE A 9 -3.743 6.976 11.594 1.00 75.32 H new ATOM 0 HG23 ILE A 9 -4.561 5.419 11.323 1.00 75.32 H new ATOM 0 HD11 ILE A 9 -4.453 3.033 8.557 1.00 64.35 H new ATOM 0 HD12 ILE A 9 -4.606 3.718 10.192 1.00 64.35 H new ATOM 0 HD13 ILE A 9 -5.577 4.380 8.856 1.00 64.35 H new ATOM 148 N ASP A 10 -4.725 9.387 9.540 1.00 62.34 N ATOM 149 CA ASP A 10 -4.877 10.620 10.302 1.00 45.32 C ATOM 150 C ASP A 10 -6.317 11.121 10.244 1.00 4.11 C ATOM 151 O ASP A 10 -6.622 12.084 9.541 1.00 73.33 O ATOM 152 CB ASP A 10 -3.928 11.695 9.769 1.00 62.14 C ATOM 153 CG ASP A 10 -2.556 11.626 10.411 1.00 13.40 C ATOM 154 OD1 ASP A 10 -2.486 11.606 11.657 1.00 13.24 O ATOM 155 OD2 ASP A 10 -1.553 11.595 9.668 1.00 13.00 O ATOM 0 H ASP A 10 -4.285 9.507 8.628 1.00 62.34 H new ATOM 0 HA ASP A 10 -4.626 10.408 11.342 1.00 45.32 H new ATOM 0 HB2 ASP A 10 -3.827 11.583 8.689 1.00 62.14 H new ATOM 0 HB3 ASP A 10 -4.361 12.679 9.949 1.00 62.14 H new ATOM 160 N VAL A 11 -7.198 10.461 10.988 1.00 74.11 N ATOM 161 CA VAL A 11 -8.606 10.838 11.021 1.00 13.14 C ATOM 162 C VAL A 11 -8.782 12.252 11.568 1.00 70.43 C ATOM 163 O VAL A 11 -9.818 12.882 11.361 1.00 33.20 O ATOM 164 CB VAL A 11 -9.428 9.861 11.882 1.00 54.12 C ATOM 165 CG1 VAL A 11 -10.916 10.145 11.738 1.00 43.11 C ATOM 166 CG2 VAL A 11 -9.113 8.422 11.502 1.00 15.11 C ATOM 0 H VAL A 11 -6.962 9.662 11.576 1.00 74.11 H new ATOM 0 HA VAL A 11 -8.969 10.800 9.994 1.00 13.14 H new ATOM 0 HB VAL A 11 -9.154 10.005 12.927 1.00 54.12 H new ATOM 0 HG11 VAL A 11 -11.481 9.445 12.353 1.00 43.11 H new ATOM 0 HG12 VAL A 11 -11.125 11.164 12.063 1.00 43.11 H new ATOM 0 HG13 VAL A 11 -11.209 10.029 10.695 1.00 43.11 H new ATOM 0 HG21 VAL A 11 -9.703 7.745 12.120 1.00 15.11 H new ATOM 0 HG22 VAL A 11 -9.358 8.261 10.452 1.00 15.11 H new ATOM 0 HG23 VAL A 11 -8.052 8.228 11.661 1.00 15.11 H new ATOM 176 N ASN A 12 -7.763 12.742 12.264 1.00 62.02 N ATOM 177 CA ASN A 12 -7.805 14.082 12.840 1.00 74.41 C ATOM 178 C ASN A 12 -7.426 15.133 11.801 1.00 52.02 C ATOM 179 O ASN A 12 -7.410 16.329 12.090 1.00 74.03 O ATOM 180 CB ASN A 12 -6.863 14.173 14.042 1.00 72.14 C ATOM 181 CG ASN A 12 -5.528 13.503 13.781 1.00 4.23 C ATOM 182 OD1 ASN A 12 -5.116 13.340 12.633 1.00 61.24 O ATOM 183 ND2 ASN A 12 -4.844 13.112 14.851 1.00 51.55 N ATOM 0 H ASN A 12 -6.898 12.232 12.443 1.00 62.02 H new ATOM 0 HA ASN A 12 -8.825 14.276 13.171 1.00 74.41 H new ATOM 0 HB2 ASN A 12 -6.698 15.221 14.292 1.00 72.14 H new ATOM 0 HB3 ASN A 12 -7.336 13.709 14.907 1.00 72.14 H new ATOM 0 HD21 ASN A 12 -3.938 12.656 14.739 1.00 51.55 H new ATOM 0 HD22 ASN A 12 -5.225 13.268 15.784 1.00 51.55 H new ATOM 190 N GLY A 13 -7.121 14.677 10.590 1.00 31.24 N ATOM 191 CA GLY A 13 -6.746 15.591 9.526 1.00 24.22 C ATOM 192 C GLY A 13 -5.650 16.550 9.946 1.00 72.21 C ATOM 193 O GLY A 13 -5.742 17.753 9.700 1.00 4.35 O ATOM 0 H GLY A 13 -7.127 13.692 10.327 1.00 31.24 H new ATOM 0 HA2 GLY A 13 -6.412 15.019 8.660 1.00 24.22 H new ATOM 0 HA3 GLY A 13 -7.622 16.159 9.214 1.00 24.22 H new ATOM 197 N ASP A 14 -4.611 16.018 10.581 1.00 34.12 N ATOM 198 CA ASP A 14 -3.493 16.836 11.036 1.00 60.30 C ATOM 199 C ASP A 14 -2.269 16.625 10.150 1.00 53.31 C ATOM 200 O ASP A 14 -1.325 17.413 10.180 1.00 74.10 O ATOM 201 CB ASP A 14 -3.149 16.505 12.490 1.00 53.05 C ATOM 202 CG ASP A 14 -2.896 15.025 12.701 1.00 22.34 C ATOM 203 OD1 ASP A 14 -2.835 14.285 11.698 1.00 62.53 O ATOM 204 OD2 ASP A 14 -2.760 14.608 13.870 1.00 61.10 O ATOM 0 H ASP A 14 -4.520 15.024 10.792 1.00 34.12 H new ATOM 0 HA ASP A 14 -3.791 17.883 10.970 1.00 60.30 H new ATOM 0 HB2 ASP A 14 -2.265 17.068 12.789 1.00 53.05 H new ATOM 0 HB3 ASP A 14 -3.966 16.827 13.136 1.00 53.05 H new ATOM 209 N GLY A 15 -2.294 15.554 9.362 1.00 43.35 N ATOM 210 CA GLY A 15 -1.180 15.258 8.479 1.00 71.02 C ATOM 211 C GLY A 15 0.066 14.844 9.236 1.00 14.43 C ATOM 212 O GLY A 15 1.156 14.787 8.668 1.00 41.13 O ATOM 0 H GLY A 15 -3.064 14.887 9.319 1.00 43.35 H new ATOM 0 HA2 GLY A 15 -1.466 14.461 7.793 1.00 71.02 H new ATOM 0 HA3 GLY A 15 -0.958 16.136 7.873 1.00 71.02 H new ATOM 216 N ALA A 16 -0.095 14.557 10.525 1.00 64.21 N ATOM 217 CA ALA A 16 1.027 14.146 11.361 1.00 51.12 C ATOM 218 C ALA A 16 0.655 12.948 12.228 1.00 62.35 C ATOM 219 O ALA A 16 -0.455 12.871 12.756 1.00 43.22 O ATOM 220 CB ALA A 16 1.489 15.306 12.230 1.00 21.52 C ATOM 0 H ALA A 16 -0.990 14.602 11.012 1.00 64.21 H new ATOM 0 HA ALA A 16 1.846 13.847 10.707 1.00 51.12 H new ATOM 0 HB1 ALA A 16 2.327 14.986 12.849 1.00 21.52 H new ATOM 0 HB2 ALA A 16 1.803 16.134 11.595 1.00 21.52 H new ATOM 0 HB3 ALA A 16 0.668 15.631 12.870 1.00 21.52 H new ATOM 226 N VAL A 17 1.589 12.013 12.368 1.00 13.11 N ATOM 227 CA VAL A 17 1.359 10.818 13.171 1.00 4.12 C ATOM 228 C VAL A 17 2.417 10.676 14.261 1.00 35.34 C ATOM 229 O VAL A 17 3.610 10.576 13.974 1.00 74.12 O ATOM 230 CB VAL A 17 1.362 9.548 12.301 1.00 63.23 C ATOM 231 CG1 VAL A 17 0.217 9.584 11.300 1.00 65.32 C ATOM 232 CG2 VAL A 17 2.698 9.392 11.590 1.00 41.21 C ATOM 0 H VAL A 17 2.512 12.060 11.936 1.00 13.11 H new ATOM 0 HA VAL A 17 0.378 10.931 13.633 1.00 4.12 H new ATOM 0 HB VAL A 17 1.219 8.684 12.950 1.00 63.23 H new ATOM 0 HG11 VAL A 17 0.235 8.678 10.694 1.00 65.32 H new ATOM 0 HG12 VAL A 17 -0.731 9.644 11.834 1.00 65.32 H new ATOM 0 HG13 VAL A 17 0.326 10.455 10.654 1.00 65.32 H new ATOM 0 HG21 VAL A 17 2.682 8.489 10.980 1.00 41.21 H new ATOM 0 HG22 VAL A 17 2.874 10.258 10.952 1.00 41.21 H new ATOM 0 HG23 VAL A 17 3.496 9.317 12.328 1.00 41.21 H new ATOM 242 N SER A 18 1.971 10.667 15.513 1.00 51.43 N ATOM 243 CA SER A 18 2.878 10.541 16.648 1.00 64.15 C ATOM 244 C SER A 18 3.190 9.075 16.933 1.00 2.43 C ATOM 245 O SER A 18 2.666 8.177 16.273 1.00 41.44 O ATOM 246 CB SER A 18 2.271 11.197 17.889 1.00 32.24 C ATOM 247 OG SER A 18 0.887 11.439 17.713 1.00 73.12 O ATOM 0 H SER A 18 0.986 10.746 15.767 1.00 51.43 H new ATOM 0 HA SER A 18 3.808 11.050 16.397 1.00 64.15 H new ATOM 0 HB2 SER A 18 2.423 10.554 18.755 1.00 32.24 H new ATOM 0 HB3 SER A 18 2.784 12.136 18.095 1.00 32.24 H new ATOM 0 HG SER A 18 0.523 11.857 18.521 1.00 73.12 H new ATOM 253 N TYR A 19 4.046 8.841 17.921 1.00 63.12 N ATOM 254 CA TYR A 19 4.431 7.485 18.293 1.00 31.43 C ATOM 255 C TYR A 19 3.205 6.585 18.413 1.00 22.23 C ATOM 256 O TYR A 19 3.201 5.456 17.922 1.00 12.50 O ATOM 257 CB TYR A 19 5.201 7.496 19.616 1.00 63.44 C ATOM 258 CG TYR A 19 4.427 8.106 20.762 1.00 25.21 C ATOM 259 CD1 TYR A 19 4.386 9.483 20.944 1.00 32.41 C ATOM 260 CD2 TYR A 19 3.737 7.305 21.663 1.00 20.13 C ATOM 261 CE1 TYR A 19 3.681 10.044 21.991 1.00 63.42 C ATOM 262 CE2 TYR A 19 3.028 7.857 22.712 1.00 52.12 C ATOM 263 CZ TYR A 19 3.004 9.226 22.872 1.00 54.42 C ATOM 264 OH TYR A 19 2.298 9.781 23.915 1.00 5.44 O ATOM 0 H TYR A 19 4.487 9.573 18.479 1.00 63.12 H new ATOM 0 HA TYR A 19 5.075 7.089 17.508 1.00 31.43 H new ATOM 0 HB2 TYR A 19 5.474 6.473 19.876 1.00 63.44 H new ATOM 0 HB3 TYR A 19 6.130 8.049 19.481 1.00 63.44 H new ATOM 0 HD1 TYR A 19 4.914 10.125 20.255 1.00 32.41 H new ATOM 0 HD2 TYR A 19 3.755 6.232 21.541 1.00 20.13 H new ATOM 0 HE1 TYR A 19 3.660 11.116 22.119 1.00 63.42 H new ATOM 0 HE2 TYR A 19 2.496 7.220 23.403 1.00 52.12 H new ATOM 0 HH TYR A 19 1.878 9.069 24.441 1.00 5.44 H new ATOM 274 N GLU A 20 2.168 7.094 19.071 1.00 34.31 N ATOM 275 CA GLU A 20 0.936 6.335 19.256 1.00 34.12 C ATOM 276 C GLU A 20 0.331 5.943 17.911 1.00 2.53 C ATOM 277 O GLU A 20 -0.034 4.788 17.697 1.00 60.44 O ATOM 278 CB GLU A 20 -0.075 7.152 20.064 1.00 22.35 C ATOM 279 CG GLU A 20 -0.250 6.663 21.492 1.00 15.40 C ATOM 280 CD GLU A 20 -1.645 6.920 22.029 1.00 61.54 C ATOM 281 OE1 GLU A 20 -2.348 7.786 21.468 1.00 70.51 O ATOM 282 OE2 GLU A 20 -2.033 6.252 23.012 1.00 55.35 O ATOM 0 H GLU A 20 2.156 8.027 19.484 1.00 34.31 H new ATOM 0 HA GLU A 20 1.179 5.425 19.804 1.00 34.12 H new ATOM 0 HB2 GLU A 20 0.244 8.194 20.082 1.00 22.35 H new ATOM 0 HB3 GLU A 20 -1.040 7.123 19.558 1.00 22.35 H new ATOM 0 HG2 GLU A 20 -0.039 5.594 21.535 1.00 15.40 H new ATOM 0 HG3 GLU A 20 0.479 7.158 22.134 1.00 15.40 H new ATOM 289 N GLU A 21 0.227 6.915 17.010 1.00 14.23 N ATOM 290 CA GLU A 21 -0.335 6.672 15.686 1.00 21.22 C ATOM 291 C GLU A 21 0.409 5.544 14.979 1.00 65.54 C ATOM 292 O GLU A 21 -0.202 4.687 14.338 1.00 4.34 O ATOM 293 CB GLU A 21 -0.277 7.946 14.841 1.00 64.02 C ATOM 294 CG GLU A 21 -1.185 9.054 15.347 1.00 45.41 C ATOM 295 CD GLU A 21 -1.788 9.873 14.222 1.00 32.23 C ATOM 296 OE1 GLU A 21 -2.256 9.270 13.234 1.00 44.14 O ATOM 297 OE2 GLU A 21 -1.792 11.116 14.331 1.00 54.53 O ATOM 0 H GLU A 21 0.524 7.877 17.172 1.00 14.23 H new ATOM 0 HA GLU A 21 -1.376 6.375 15.810 1.00 21.22 H new ATOM 0 HB2 GLU A 21 0.750 8.311 14.819 1.00 64.02 H new ATOM 0 HB3 GLU A 21 -0.551 7.704 13.814 1.00 64.02 H new ATOM 0 HG2 GLU A 21 -1.986 8.618 15.944 1.00 45.41 H new ATOM 0 HG3 GLU A 21 -0.618 9.711 16.006 1.00 45.41 H new ATOM 304 N VAL A 22 1.733 5.550 15.097 1.00 60.11 N ATOM 305 CA VAL A 22 2.562 4.528 14.469 1.00 21.31 C ATOM 306 C VAL A 22 2.226 3.141 15.007 1.00 61.13 C ATOM 307 O VAL A 22 1.918 2.225 14.245 1.00 74.51 O ATOM 308 CB VAL A 22 4.061 4.804 14.694 1.00 54.41 C ATOM 309 CG1 VAL A 22 4.899 3.633 14.205 1.00 21.31 C ATOM 310 CG2 VAL A 22 4.474 6.093 14.000 1.00 20.51 C ATOM 0 H VAL A 22 2.255 6.252 15.622 1.00 60.11 H new ATOM 0 HA VAL A 22 2.350 4.562 13.400 1.00 21.31 H new ATOM 0 HB VAL A 22 4.235 4.922 15.764 1.00 54.41 H new ATOM 0 HG11 VAL A 22 5.955 3.846 14.372 1.00 21.31 H new ATOM 0 HG12 VAL A 22 4.620 2.732 14.752 1.00 21.31 H new ATOM 0 HG13 VAL A 22 4.724 3.480 13.140 1.00 21.31 H new ATOM 0 HG21 VAL A 22 5.536 6.273 14.169 1.00 20.51 H new ATOM 0 HG22 VAL A 22 4.286 6.006 12.930 1.00 20.51 H new ATOM 0 HG23 VAL A 22 3.896 6.925 14.403 1.00 20.51 H new ATOM 320 N LYS A 23 2.287 2.993 16.326 1.00 14.31 N ATOM 321 CA LYS A 23 1.987 1.719 16.968 1.00 2.04 C ATOM 322 C LYS A 23 0.608 1.213 16.556 1.00 24.25 C ATOM 323 O LYS A 23 0.402 0.010 16.392 1.00 41.40 O ATOM 324 CB LYS A 23 2.055 1.864 18.491 1.00 62.44 C ATOM 325 CG LYS A 23 3.196 1.089 19.125 1.00 64.11 C ATOM 326 CD LYS A 23 2.818 -0.363 19.370 1.00 12.41 C ATOM 327 CE LYS A 23 1.763 -0.487 20.459 1.00 11.23 C ATOM 328 NZ LYS A 23 2.346 -0.958 21.745 1.00 43.40 N ATOM 0 H LYS A 23 2.542 3.740 16.972 1.00 14.31 H new ATOM 0 HA LYS A 23 2.732 0.993 16.644 1.00 2.04 H new ATOM 0 HB2 LYS A 23 2.160 2.919 18.743 1.00 62.44 H new ATOM 0 HB3 LYS A 23 1.113 1.525 18.922 1.00 62.44 H new ATOM 0 HG2 LYS A 23 4.071 1.133 18.477 1.00 64.11 H new ATOM 0 HG3 LYS A 23 3.474 1.557 20.069 1.00 64.11 H new ATOM 0 HD2 LYS A 23 2.443 -0.803 18.446 1.00 12.41 H new ATOM 0 HD3 LYS A 23 3.705 -0.928 19.655 1.00 12.41 H new ATOM 0 HE2 LYS A 23 1.282 0.479 20.611 1.00 11.23 H new ATOM 0 HE3 LYS A 23 0.988 -1.182 20.136 1.00 11.23 H new ATOM 0 HZ1 LYS A 23 1.806 -1.776 22.092 1.00 43.40 H new ATOM 0 HZ2 LYS A 23 3.337 -1.235 21.596 1.00 43.40 H new ATOM 0 HZ3 LYS A 23 2.303 -0.192 22.447 1.00 43.40 H new ATOM 342 N ALA A 24 -0.331 2.138 16.390 1.00 61.00 N ATOM 343 CA ALA A 24 -1.689 1.785 15.993 1.00 32.24 C ATOM 344 C ALA A 24 -1.721 1.244 14.567 1.00 20.04 C ATOM 345 O ALA A 24 -2.416 0.270 14.278 1.00 50.20 O ATOM 346 CB ALA A 24 -2.607 2.990 16.124 1.00 51.21 C ATOM 0 H ALA A 24 -0.177 3.137 16.524 1.00 61.00 H new ATOM 0 HA ALA A 24 -2.043 0.999 16.659 1.00 32.24 H new ATOM 0 HB1 ALA A 24 -3.617 2.712 15.824 1.00 51.21 H new ATOM 0 HB2 ALA A 24 -2.616 3.330 17.160 1.00 51.21 H new ATOM 0 HB3 ALA A 24 -2.246 3.794 15.482 1.00 51.21 H new ATOM 352 N PHE A 25 -0.966 1.884 13.681 1.00 63.32 N ATOM 353 CA PHE A 25 -0.910 1.468 12.284 1.00 23.40 C ATOM 354 C PHE A 25 -0.602 -0.023 12.172 1.00 2.22 C ATOM 355 O PHE A 25 -1.313 -0.767 11.496 1.00 12.22 O ATOM 356 CB PHE A 25 0.148 2.276 11.530 1.00 0.44 C ATOM 357 CG PHE A 25 0.015 2.194 10.037 1.00 42.22 C ATOM 358 CD1 PHE A 25 0.196 0.990 9.377 1.00 33.43 C ATOM 359 CD2 PHE A 25 -0.290 3.323 9.293 1.00 60.11 C ATOM 360 CE1 PHE A 25 0.073 0.911 8.002 1.00 34.35 C ATOM 361 CE2 PHE A 25 -0.414 3.250 7.918 1.00 30.14 C ATOM 362 CZ PHE A 25 -0.232 2.043 7.272 1.00 24.21 C ATOM 0 H PHE A 25 -0.385 2.692 13.905 1.00 63.32 H new ATOM 0 HA PHE A 25 -1.886 1.655 11.837 1.00 23.40 H new ATOM 0 HB2 PHE A 25 0.082 3.320 11.836 1.00 0.44 H new ATOM 0 HB3 PHE A 25 1.138 1.922 11.818 1.00 0.44 H new ATOM 0 HD1 PHE A 25 0.436 0.102 9.943 1.00 33.43 H new ATOM 0 HD2 PHE A 25 -0.432 4.270 9.793 1.00 60.11 H new ATOM 0 HE1 PHE A 25 0.215 -0.034 7.500 1.00 34.35 H new ATOM 0 HE2 PHE A 25 -0.653 4.136 7.349 1.00 30.14 H new ATOM 0 HZ PHE A 25 -0.328 1.984 6.198 1.00 24.21 H new ATOM 372 N VAL A 26 0.464 -0.453 12.839 1.00 10.44 N ATOM 373 CA VAL A 26 0.867 -1.854 12.816 1.00 4.54 C ATOM 374 C VAL A 26 -0.119 -2.722 13.589 1.00 11.32 C ATOM 375 O VAL A 26 -0.300 -3.899 13.279 1.00 61.32 O ATOM 376 CB VAL A 26 2.276 -2.042 13.411 1.00 4.44 C ATOM 377 CG1 VAL A 26 2.190 -2.361 14.896 1.00 1.13 C ATOM 378 CG2 VAL A 26 3.027 -3.134 12.665 1.00 12.21 C ATOM 0 H VAL A 26 1.064 0.149 13.402 1.00 10.44 H new ATOM 0 HA VAL A 26 0.877 -2.164 11.771 1.00 4.54 H new ATOM 0 HB VAL A 26 2.828 -1.109 13.296 1.00 4.44 H new ATOM 0 HG11 VAL A 26 3.194 -2.490 15.299 1.00 1.13 H new ATOM 0 HG12 VAL A 26 1.693 -1.542 15.416 1.00 1.13 H new ATOM 0 HG13 VAL A 26 1.621 -3.280 15.038 1.00 1.13 H new ATOM 0 HG21 VAL A 26 4.020 -3.254 13.098 1.00 12.21 H new ATOM 0 HG22 VAL A 26 2.480 -4.073 12.747 1.00 12.21 H new ATOM 0 HG23 VAL A 26 3.120 -2.859 11.614 1.00 12.21 H new ATOM 388 N SER A 27 -0.755 -2.133 14.597 1.00 62.13 N ATOM 389 CA SER A 27 -1.721 -2.854 15.416 1.00 0.12 C ATOM 390 C SER A 27 -2.920 -3.293 14.583 1.00 72.14 C ATOM 391 O SER A 27 -3.623 -4.242 14.934 1.00 4.10 O ATOM 392 CB SER A 27 -2.189 -1.978 16.581 1.00 43.14 C ATOM 393 OG SER A 27 -1.360 -2.155 17.717 1.00 73.14 O ATOM 0 H SER A 27 -0.618 -1.159 14.866 1.00 62.13 H new ATOM 0 HA SER A 27 -1.231 -3.743 15.813 1.00 0.12 H new ATOM 0 HB2 SER A 27 -2.179 -0.931 16.279 1.00 43.14 H new ATOM 0 HB3 SER A 27 -3.219 -2.227 16.836 1.00 43.14 H new ATOM 0 HG SER A 27 -0.585 -1.558 17.653 1.00 73.14 H new ATOM 399 N LYS A 28 -3.150 -2.596 13.475 1.00 25.34 N ATOM 400 CA LYS A 28 -4.263 -2.913 12.587 1.00 3.34 C ATOM 401 C LYS A 28 -3.985 -4.188 11.799 1.00 23.14 C ATOM 402 O LYS A 28 -4.853 -4.692 11.087 1.00 41.04 O ATOM 403 CB LYS A 28 -4.520 -1.751 11.625 1.00 73.23 C ATOM 404 CG LYS A 28 -5.208 -0.563 12.274 1.00 64.14 C ATOM 405 CD LYS A 28 -6.618 -0.910 12.720 1.00 24.14 C ATOM 406 CE LYS A 28 -7.490 -1.322 11.544 1.00 4.33 C ATOM 407 NZ LYS A 28 -8.932 -1.057 11.805 1.00 60.21 N ATOM 0 H LYS A 28 -2.580 -1.807 13.170 1.00 25.34 H new ATOM 0 HA LYS A 28 -5.150 -3.073 13.200 1.00 3.34 H new ATOM 0 HB2 LYS A 28 -3.570 -1.423 11.203 1.00 73.23 H new ATOM 0 HB3 LYS A 28 -5.132 -2.106 10.796 1.00 73.23 H new ATOM 0 HG2 LYS A 28 -4.626 -0.229 13.133 1.00 64.14 H new ATOM 0 HG3 LYS A 28 -5.243 0.268 11.569 1.00 64.14 H new ATOM 0 HD2 LYS A 28 -6.581 -1.720 13.448 1.00 24.14 H new ATOM 0 HD3 LYS A 28 -7.064 -0.051 13.221 1.00 24.14 H new ATOM 0 HE2 LYS A 28 -7.177 -0.780 10.652 1.00 4.33 H new ATOM 0 HE3 LYS A 28 -7.347 -2.383 11.339 1.00 4.33 H new ATOM 0 HZ1 LYS A 28 -9.494 -1.351 10.981 1.00 60.21 H new ATOM 0 HZ2 LYS A 28 -9.238 -1.594 12.642 1.00 60.21 H new ATOM 0 HZ3 LYS A 28 -9.073 -0.041 11.975 1.00 60.21 H new ATOM 421 N LYS A 29 -2.769 -4.708 11.934 1.00 20.51 N ATOM 422 CA LYS A 29 -2.377 -5.928 11.238 1.00 60.11 C ATOM 423 C LYS A 29 -2.222 -7.087 12.217 1.00 61.45 C ATOM 424 O LYS A 29 -2.314 -8.253 11.831 1.00 41.22 O ATOM 425 CB LYS A 29 -1.067 -5.707 10.479 1.00 3.15 C ATOM 426 CG LYS A 29 -0.991 -4.366 9.771 1.00 14.45 C ATOM 427 CD LYS A 29 -2.186 -4.149 8.858 1.00 74.40 C ATOM 428 CE LYS A 29 -2.255 -5.209 7.771 1.00 72.33 C ATOM 429 NZ LYS A 29 -3.221 -4.842 6.698 1.00 31.33 N ATOM 0 H LYS A 29 -2.038 -4.303 12.519 1.00 20.51 H new ATOM 0 HA LYS A 29 -3.163 -6.180 10.527 1.00 60.11 H new ATOM 0 HB2 LYS A 29 -0.234 -5.787 11.178 1.00 3.15 H new ATOM 0 HB3 LYS A 29 -0.944 -6.503 9.745 1.00 3.15 H new ATOM 0 HG2 LYS A 29 -0.946 -3.566 10.510 1.00 14.45 H new ATOM 0 HG3 LYS A 29 -0.072 -4.313 9.188 1.00 14.45 H new ATOM 0 HD2 LYS A 29 -3.103 -4.169 9.446 1.00 74.40 H new ATOM 0 HD3 LYS A 29 -2.122 -3.161 8.401 1.00 74.40 H new ATOM 0 HE2 LYS A 29 -1.265 -5.348 7.336 1.00 72.33 H new ATOM 0 HE3 LYS A 29 -2.547 -6.162 8.212 1.00 72.33 H new ATOM 0 HZ1 LYS A 29 -3.239 -5.590 5.976 1.00 31.33 H new ATOM 0 HZ2 LYS A 29 -4.171 -4.734 7.108 1.00 31.33 H new ATOM 0 HZ3 LYS A 29 -2.929 -3.945 6.260 1.00 31.33 H new ATOM 443 N ARG A 30 -1.986 -6.759 13.482 1.00 31.54 N ATOM 444 CA ARG A 30 -1.818 -7.774 14.515 1.00 33.34 C ATOM 445 C ARG A 30 -1.670 -7.131 15.891 1.00 13.54 C ATOM 446 O ARG A 30 -1.819 -5.918 16.038 1.00 14.43 O ATOM 447 CB ARG A 30 -0.596 -8.644 14.213 1.00 13.12 C ATOM 448 CG ARG A 30 0.677 -7.846 13.986 1.00 40.34 C ATOM 449 CD ARG A 30 1.424 -8.327 12.751 1.00 14.31 C ATOM 450 NE ARG A 30 1.540 -9.783 12.716 1.00 44.54 N ATOM 451 CZ ARG A 30 1.833 -10.470 11.617 1.00 11.21 C ATOM 452 NH1 ARG A 30 2.038 -9.836 10.470 1.00 75.13 N ATOM 453 NH2 ARG A 30 1.922 -11.793 11.665 1.00 40.35 N ATOM 0 H ARG A 30 -1.907 -5.799 13.817 1.00 31.54 H new ATOM 0 HA ARG A 30 -2.709 -8.401 14.520 1.00 33.34 H new ATOM 0 HB2 ARG A 30 -0.439 -9.335 15.041 1.00 13.12 H new ATOM 0 HB3 ARG A 30 -0.799 -9.247 13.328 1.00 13.12 H new ATOM 0 HG2 ARG A 30 0.431 -6.790 13.875 1.00 40.34 H new ATOM 0 HG3 ARG A 30 1.323 -7.933 14.860 1.00 40.34 H new ATOM 0 HD2 ARG A 30 0.905 -7.983 11.856 1.00 14.31 H new ATOM 0 HD3 ARG A 30 2.419 -7.883 12.733 1.00 14.31 H new ATOM 0 HE ARG A 30 1.388 -10.300 13.582 1.00 44.54 H new ATOM 0 HH11 ARG A 30 1.971 -8.819 10.430 1.00 75.13 H new ATOM 0 HH12 ARG A 30 2.263 -10.366 9.628 1.00 75.13 H new ATOM 0 HH21 ARG A 30 1.765 -12.283 12.546 1.00 40.35 H new ATOM 0 HH22 ARG A 30 2.147 -12.320 10.821 1.00 40.35 H new ATOM 467 N ALA A 31 -1.377 -7.952 16.894 1.00 14.35 N ATOM 468 CA ALA A 31 -1.208 -7.462 18.257 1.00 3.12 C ATOM 469 C ALA A 31 0.228 -7.656 18.736 1.00 51.13 C ATOM 470 O ALA A 31 0.589 -8.727 19.226 1.00 54.43 O ATOM 471 CB ALA A 31 -2.178 -8.164 19.194 1.00 34.14 C ATOM 0 H ALA A 31 -1.252 -8.959 16.789 1.00 14.35 H new ATOM 0 HA ALA A 31 -1.424 -6.394 18.262 1.00 3.12 H new ATOM 0 HB1 ALA A 31 -2.041 -7.788 20.208 1.00 34.14 H new ATOM 0 HB2 ALA A 31 -3.201 -7.970 18.871 1.00 34.14 H new ATOM 0 HB3 ALA A 31 -1.989 -9.237 19.176 1.00 34.14 H new ATOM 477 N ILE A 32 1.041 -6.615 18.589 1.00 21.10 N ATOM 478 CA ILE A 32 2.436 -6.672 19.007 1.00 0.23 C ATOM 479 C ILE A 32 2.824 -5.428 19.800 1.00 31.24 C ATOM 480 O ILE A 32 3.060 -4.363 19.229 1.00 21.14 O ATOM 481 CB ILE A 32 3.380 -6.812 17.798 1.00 40.21 C ATOM 482 CG1 ILE A 32 3.010 -5.798 16.714 1.00 33.22 C ATOM 483 CG2 ILE A 32 3.329 -8.228 17.246 1.00 41.21 C ATOM 484 CD1 ILE A 32 4.204 -5.097 16.108 1.00 44.13 C ATOM 0 H ILE A 32 0.758 -5.723 18.184 1.00 21.10 H new ATOM 0 HA ILE A 32 2.540 -7.551 19.643 1.00 0.23 H new ATOM 0 HB ILE A 32 4.399 -6.608 18.127 1.00 40.21 H new ATOM 0 HG12 ILE A 32 2.459 -6.308 15.924 1.00 33.22 H new ATOM 0 HG13 ILE A 32 2.339 -5.052 17.140 1.00 33.22 H new ATOM 0 HG21 ILE A 32 4.002 -8.310 16.392 1.00 41.21 H new ATOM 0 HG22 ILE A 32 3.637 -8.931 18.020 1.00 41.21 H new ATOM 0 HG23 ILE A 32 2.312 -8.459 16.930 1.00 41.21 H new ATOM 0 HD11 ILE A 32 3.865 -4.393 15.348 1.00 44.13 H new ATOM 0 HD12 ILE A 32 4.743 -4.558 16.887 1.00 44.13 H new ATOM 0 HD13 ILE A 32 4.865 -5.834 15.652 1.00 44.13 H new ATOM 496 N LYS A 33 2.888 -5.572 21.120 1.00 41.14 N ATOM 497 CA LYS A 33 3.251 -4.462 21.993 1.00 72.35 C ATOM 498 C LYS A 33 4.766 -4.326 22.101 1.00 64.32 C ATOM 499 O LYS A 33 5.422 -5.114 22.781 1.00 72.34 O ATOM 500 CB LYS A 33 2.645 -4.662 23.384 1.00 64.50 C ATOM 501 CG LYS A 33 1.274 -5.316 23.363 1.00 52.51 C ATOM 502 CD LYS A 33 1.362 -6.804 23.653 1.00 73.53 C ATOM 503 CE LYS A 33 0.794 -7.139 25.023 1.00 34.44 C ATOM 504 NZ LYS A 33 1.842 -7.109 26.081 1.00 2.13 N ATOM 0 H LYS A 33 2.693 -6.446 21.608 1.00 41.14 H new ATOM 0 HA LYS A 33 2.853 -3.545 21.558 1.00 72.35 H new ATOM 0 HB2 LYS A 33 3.321 -5.274 23.981 1.00 64.50 H new ATOM 0 HB3 LYS A 33 2.569 -3.695 23.880 1.00 64.50 H new ATOM 0 HG2 LYS A 33 0.630 -4.838 24.101 1.00 52.51 H new ATOM 0 HG3 LYS A 33 0.811 -5.161 22.389 1.00 52.51 H new ATOM 0 HD2 LYS A 33 0.819 -7.358 22.887 1.00 73.53 H new ATOM 0 HD3 LYS A 33 2.402 -7.125 23.601 1.00 73.53 H new ATOM 0 HE2 LYS A 33 0.006 -6.429 25.273 1.00 34.44 H new ATOM 0 HE3 LYS A 33 0.335 -8.127 24.994 1.00 34.44 H new ATOM 0 HZ1 LYS A 33 1.415 -7.343 27.000 1.00 2.13 H new ATOM 0 HZ2 LYS A 33 2.582 -7.804 25.856 1.00 2.13 H new ATOM 0 HZ3 LYS A 33 2.262 -6.159 26.126 1.00 2.13 H new ATOM 518 N ASN A 34 5.315 -3.321 21.426 1.00 20.01 N ATOM 519 CA ASN A 34 6.754 -3.082 21.448 1.00 32.11 C ATOM 520 C ASN A 34 7.063 -1.666 21.922 1.00 22.22 C ATOM 521 O ASN A 34 6.948 -0.706 21.161 1.00 71.51 O ATOM 522 CB ASN A 34 7.350 -3.308 20.057 1.00 42.25 C ATOM 523 CG ASN A 34 7.219 -4.748 19.598 1.00 1.34 C ATOM 524 OD1 ASN A 34 6.533 -5.039 18.618 1.00 11.21 O ATOM 525 ND2 ASN A 34 7.880 -5.656 20.306 1.00 1.42 N ATOM 0 H ASN A 34 4.786 -2.660 20.858 1.00 20.01 H new ATOM 0 HA ASN A 34 7.204 -3.786 22.148 1.00 32.11 H new ATOM 0 HB2 ASN A 34 6.852 -2.655 19.341 1.00 42.25 H new ATOM 0 HB3 ASN A 34 8.403 -3.027 20.066 1.00 42.25 H new ATOM 0 HD21 ASN A 34 7.831 -6.641 20.045 1.00 1.42 H new ATOM 0 HD22 ASN A 34 8.436 -5.369 21.111 1.00 1.42 H new ATOM 532 N GLU A 35 7.456 -1.544 23.187 1.00 41.54 N ATOM 533 CA GLU A 35 7.782 -0.244 23.763 1.00 71.20 C ATOM 534 C GLU A 35 9.136 0.249 23.261 1.00 34.14 C ATOM 535 O GLU A 35 9.292 1.421 22.920 1.00 63.03 O ATOM 536 CB GLU A 35 7.790 -0.326 25.291 1.00 23.41 C ATOM 537 CG GLU A 35 7.063 0.824 25.966 1.00 75.14 C ATOM 538 CD GLU A 35 7.378 2.165 25.333 1.00 52.55 C ATOM 539 OE1 GLU A 35 8.574 2.502 25.218 1.00 31.45 O ATOM 540 OE2 GLU A 35 6.426 2.878 24.951 1.00 54.42 O ATOM 0 H GLU A 35 7.556 -2.328 23.831 1.00 41.54 H new ATOM 0 HA GLU A 35 7.017 0.466 23.449 1.00 71.20 H new ATOM 0 HB2 GLU A 35 7.331 -1.265 25.598 1.00 23.41 H new ATOM 0 HB3 GLU A 35 8.822 -0.347 25.640 1.00 23.41 H new ATOM 0 HG2 GLU A 35 5.988 0.647 25.918 1.00 75.14 H new ATOM 0 HG3 GLU A 35 7.335 0.852 27.021 1.00 75.14 H new ATOM 547 N GLN A 36 10.110 -0.654 23.222 1.00 3.20 N ATOM 548 CA GLN A 36 11.451 -0.310 22.764 1.00 23.32 C ATOM 549 C GLN A 36 11.471 -0.089 21.256 1.00 5.40 C ATOM 550 O GLN A 36 11.981 0.924 20.773 1.00 4.23 O ATOM 551 CB GLN A 36 12.440 -1.414 23.142 1.00 65.01 C ATOM 552 CG GLN A 36 13.805 -0.891 23.561 1.00 12.05 C ATOM 553 CD GLN A 36 14.944 -1.587 22.842 1.00 53.24 C ATOM 554 OE1 GLN A 36 15.841 -2.148 23.471 1.00 53.20 O ATOM 555 NE2 GLN A 36 14.913 -1.553 21.514 1.00 34.32 N ATOM 0 H GLN A 36 9.996 -1.628 23.502 1.00 3.20 H new ATOM 0 HA GLN A 36 11.748 0.618 23.253 1.00 23.32 H new ATOM 0 HB2 GLN A 36 12.020 -2.003 23.957 1.00 65.01 H new ATOM 0 HB3 GLN A 36 12.563 -2.087 22.293 1.00 65.01 H new ATOM 0 HG2 GLN A 36 13.856 0.180 23.363 1.00 12.05 H new ATOM 0 HG3 GLN A 36 13.925 -1.022 24.636 1.00 12.05 H new ATOM 0 HE21 GLN A 36 14.150 -1.076 21.034 1.00 34.32 H new ATOM 0 HE22 GLN A 36 15.652 -2.004 20.975 1.00 34.32 H new ATOM 564 N LEU A 37 10.913 -1.040 20.515 1.00 44.33 N ATOM 565 CA LEU A 37 10.868 -0.948 19.060 1.00 72.31 C ATOM 566 C LEU A 37 10.120 0.305 18.616 1.00 35.44 C ATOM 567 O LEU A 37 10.553 1.010 17.703 1.00 33.52 O ATOM 568 CB LEU A 37 10.196 -2.191 18.472 1.00 22.44 C ATOM 569 CG LEU A 37 10.665 -2.611 17.079 1.00 42.24 C ATOM 570 CD1 LEU A 37 12.117 -3.062 17.117 1.00 34.12 C ATOM 571 CD2 LEU A 37 9.776 -3.716 16.528 1.00 63.25 C ATOM 0 H LEU A 37 10.486 -1.883 20.898 1.00 44.33 H new ATOM 0 HA LEU A 37 11.892 -0.887 18.693 1.00 72.31 H new ATOM 0 HB2 LEU A 37 10.358 -3.025 19.155 1.00 22.44 H new ATOM 0 HB3 LEU A 37 9.121 -2.015 18.434 1.00 22.44 H new ATOM 0 HG LEU A 37 10.592 -1.748 16.417 1.00 42.24 H new ATOM 0 HD11 LEU A 37 12.433 -3.357 16.116 1.00 34.12 H new ATOM 0 HD12 LEU A 37 12.744 -2.242 17.468 1.00 34.12 H new ATOM 0 HD13 LEU A 37 12.217 -3.911 17.794 1.00 34.12 H new ATOM 0 HD21 LEU A 37 10.124 -4.003 15.536 1.00 63.25 H new ATOM 0 HD22 LEU A 37 9.817 -4.580 17.191 1.00 63.25 H new ATOM 0 HD23 LEU A 37 8.749 -3.358 16.462 1.00 63.25 H new ATOM 583 N LEU A 38 8.995 0.579 19.269 1.00 34.24 N ATOM 584 CA LEU A 38 8.187 1.749 18.944 1.00 14.24 C ATOM 585 C LEU A 38 8.994 3.032 19.115 1.00 73.54 C ATOM 586 O LEU A 38 8.958 3.916 18.260 1.00 52.12 O ATOM 587 CB LEU A 38 6.941 1.794 19.831 1.00 10.51 C ATOM 588 CG LEU A 38 6.025 3.004 19.639 1.00 63.51 C ATOM 589 CD1 LEU A 38 6.518 4.184 20.461 1.00 62.01 C ATOM 590 CD2 LEU A 38 5.937 3.377 18.166 1.00 53.30 C ATOM 0 H LEU A 38 8.622 0.007 20.026 1.00 34.24 H new ATOM 0 HA LEU A 38 7.881 1.671 17.901 1.00 14.24 H new ATOM 0 HB2 LEU A 38 6.359 0.890 19.652 1.00 10.51 H new ATOM 0 HB3 LEU A 38 7.260 1.766 20.873 1.00 10.51 H new ATOM 0 HG LEU A 38 5.027 2.738 19.987 1.00 63.51 H new ATOM 0 HD11 LEU A 38 5.853 5.035 20.311 1.00 62.01 H new ATOM 0 HD12 LEU A 38 6.528 3.913 21.517 1.00 62.01 H new ATOM 0 HD13 LEU A 38 7.526 4.451 20.145 1.00 62.01 H new ATOM 0 HD21 LEU A 38 5.281 4.240 18.048 1.00 53.30 H new ATOM 0 HD22 LEU A 38 6.931 3.623 17.793 1.00 53.30 H new ATOM 0 HD23 LEU A 38 5.535 2.536 17.601 1.00 53.30 H new ATOM 602 N GLN A 39 9.722 3.125 20.223 1.00 23.33 N ATOM 603 CA GLN A 39 10.538 4.299 20.503 1.00 24.14 C ATOM 604 C GLN A 39 11.608 4.487 19.433 1.00 44.13 C ATOM 605 O GLN A 39 11.743 5.568 18.858 1.00 61.23 O ATOM 606 CB GLN A 39 11.195 4.174 21.880 1.00 34.31 C ATOM 607 CG GLN A 39 10.865 5.324 22.818 1.00 71.44 C ATOM 608 CD GLN A 39 11.927 6.406 22.809 1.00 72.23 C ATOM 609 OE1 GLN A 39 12.473 6.765 23.853 1.00 64.41 O ATOM 610 NE2 GLN A 39 12.224 6.934 21.627 1.00 15.33 N ATOM 0 H GLN A 39 9.763 2.401 20.941 1.00 23.33 H new ATOM 0 HA GLN A 39 9.886 5.172 20.497 1.00 24.14 H new ATOM 0 HB2 GLN A 39 10.879 3.238 22.341 1.00 34.31 H new ATOM 0 HB3 GLN A 39 12.276 4.118 21.754 1.00 34.31 H new ATOM 0 HG2 GLN A 39 9.907 5.758 22.532 1.00 71.44 H new ATOM 0 HG3 GLN A 39 10.751 4.940 23.832 1.00 71.44 H new ATOM 0 HE21 GLN A 39 11.747 6.606 20.787 1.00 15.33 H new ATOM 0 HE22 GLN A 39 12.930 7.667 21.559 1.00 15.33 H new ATOM 619 N LEU A 40 12.368 3.428 19.171 1.00 10.01 N ATOM 620 CA LEU A 40 13.427 3.476 18.169 1.00 60.31 C ATOM 621 C LEU A 40 12.856 3.773 16.786 1.00 22.33 C ATOM 622 O LEU A 40 13.304 4.695 16.103 1.00 25.11 O ATOM 623 CB LEU A 40 14.192 2.152 18.143 1.00 33.04 C ATOM 624 CG LEU A 40 15.708 2.255 17.971 1.00 44.40 C ATOM 625 CD1 LEU A 40 16.326 0.872 17.842 1.00 21.02 C ATOM 626 CD2 LEU A 40 16.050 3.109 16.759 1.00 10.41 C ATOM 0 H LEU A 40 12.270 2.527 19.638 1.00 10.01 H new ATOM 0 HA LEU A 40 14.112 4.280 18.439 1.00 60.31 H new ATOM 0 HB2 LEU A 40 13.987 1.619 19.072 1.00 33.04 H new ATOM 0 HB3 LEU A 40 13.795 1.542 17.331 1.00 33.04 H new ATOM 0 HG LEU A 40 16.123 2.734 18.858 1.00 44.40 H new ATOM 0 HD11 LEU A 40 17.405 0.966 17.720 1.00 21.02 H new ATOM 0 HD12 LEU A 40 16.111 0.292 18.740 1.00 21.02 H new ATOM 0 HD13 LEU A 40 15.906 0.365 16.973 1.00 21.02 H new ATOM 0 HD21 LEU A 40 17.133 3.171 16.652 1.00 10.41 H new ATOM 0 HD22 LEU A 40 15.622 2.658 15.864 1.00 10.41 H new ATOM 0 HD23 LEU A 40 15.640 4.110 16.892 1.00 10.41 H new ATOM 638 N ILE A 41 11.863 2.988 16.380 1.00 4.34 N ATOM 639 CA ILE A 41 11.229 3.170 15.081 1.00 74.40 C ATOM 640 C ILE A 41 10.602 4.555 14.964 1.00 43.14 C ATOM 641 O ILE A 41 10.544 5.133 13.877 1.00 23.24 O ATOM 642 CB ILE A 41 10.144 2.106 14.831 1.00 61.25 C ATOM 643 CG1 ILE A 41 10.760 0.855 14.202 1.00 45.21 C ATOM 644 CG2 ILE A 41 9.047 2.668 13.939 1.00 31.51 C ATOM 645 CD1 ILE A 41 11.903 0.274 15.006 1.00 54.51 C ATOM 0 H ILE A 41 11.481 2.220 16.932 1.00 4.34 H new ATOM 0 HA ILE A 41 12.012 3.064 14.330 1.00 74.40 H new ATOM 0 HB ILE A 41 9.702 1.828 15.788 1.00 61.25 H new ATOM 0 HG12 ILE A 41 9.985 0.097 14.087 1.00 45.21 H new ATOM 0 HG13 ILE A 41 11.118 1.100 13.202 1.00 45.21 H new ATOM 0 HG21 ILE A 41 8.287 1.904 13.771 1.00 31.51 H new ATOM 0 HG22 ILE A 41 8.592 3.532 14.423 1.00 31.51 H new ATOM 0 HG23 ILE A 41 9.475 2.970 12.983 1.00 31.51 H new ATOM 0 HD11 ILE A 41 12.291 -0.610 14.500 1.00 54.51 H new ATOM 0 HD12 ILE A 41 12.696 1.016 15.099 1.00 54.51 H new ATOM 0 HD13 ILE A 41 11.546 -0.002 15.998 1.00 54.51 H new ATOM 657 N PHE A 42 10.136 5.085 16.090 1.00 64.31 N ATOM 658 CA PHE A 42 9.515 6.404 16.114 1.00 73.25 C ATOM 659 C PHE A 42 10.533 7.492 15.787 1.00 64.33 C ATOM 660 O PHE A 42 10.220 8.468 15.104 1.00 23.42 O ATOM 661 CB PHE A 42 8.889 6.671 17.484 1.00 54.41 C ATOM 662 CG PHE A 42 8.422 8.088 17.664 1.00 31.13 C ATOM 663 CD1 PHE A 42 7.367 8.584 16.916 1.00 70.15 C ATOM 664 CD2 PHE A 42 9.039 8.923 18.582 1.00 73.53 C ATOM 665 CE1 PHE A 42 6.935 9.886 17.078 1.00 13.24 C ATOM 666 CE2 PHE A 42 8.610 10.226 18.750 1.00 64.11 C ATOM 667 CZ PHE A 42 7.558 10.709 17.996 1.00 72.41 C ATOM 0 H PHE A 42 10.177 4.621 16.998 1.00 64.31 H new ATOM 0 HA PHE A 42 8.733 6.423 15.354 1.00 73.25 H new ATOM 0 HB2 PHE A 42 8.044 5.998 17.626 1.00 54.41 H new ATOM 0 HB3 PHE A 42 9.618 6.436 18.260 1.00 54.41 H new ATOM 0 HD1 PHE A 42 6.876 7.945 16.197 1.00 70.15 H new ATOM 0 HD2 PHE A 42 9.864 8.552 19.172 1.00 73.53 H new ATOM 0 HE1 PHE A 42 6.111 10.260 16.488 1.00 13.24 H new ATOM 0 HE2 PHE A 42 9.097 10.866 19.470 1.00 64.11 H new ATOM 0 HZ PHE A 42 7.223 11.728 18.124 1.00 72.41 H new ATOM 677 N LYS A 43 11.755 7.316 16.279 1.00 25.10 N ATOM 678 CA LYS A 43 12.823 8.281 16.040 1.00 33.14 C ATOM 679 C LYS A 43 13.325 8.191 14.603 1.00 72.42 C ATOM 680 O LYS A 43 13.579 9.209 13.959 1.00 3.55 O ATOM 681 CB LYS A 43 13.980 8.042 17.012 1.00 20.23 C ATOM 682 CG LYS A 43 14.986 9.180 17.051 1.00 63.25 C ATOM 683 CD LYS A 43 15.219 9.669 18.470 1.00 13.22 C ATOM 684 CE LYS A 43 15.963 8.635 19.301 1.00 13.35 C ATOM 685 NZ LYS A 43 17.437 8.843 19.256 1.00 35.34 N ATOM 0 H LYS A 43 12.031 6.514 16.846 1.00 25.10 H new ATOM 0 HA LYS A 43 12.420 9.280 16.203 1.00 33.14 H new ATOM 0 HB2 LYS A 43 13.577 7.890 18.013 1.00 20.23 H new ATOM 0 HB3 LYS A 43 14.495 7.123 16.732 1.00 20.23 H new ATOM 0 HG2 LYS A 43 15.930 8.847 16.620 1.00 63.25 H new ATOM 0 HG3 LYS A 43 14.628 10.005 16.435 1.00 63.25 H new ATOM 0 HD2 LYS A 43 15.789 10.598 18.447 1.00 13.22 H new ATOM 0 HD3 LYS A 43 14.262 9.895 18.940 1.00 13.22 H new ATOM 0 HE2 LYS A 43 15.621 8.685 20.335 1.00 13.35 H new ATOM 0 HE3 LYS A 43 15.726 7.636 18.935 1.00 13.35 H new ATOM 0 HZ1 LYS A 43 17.908 8.118 19.835 1.00 35.34 H new ATOM 0 HZ2 LYS A 43 17.768 8.770 18.273 1.00 35.34 H new ATOM 0 HZ3 LYS A 43 17.666 9.786 19.629 1.00 35.34 H new ATOM 699 N SER A 44 13.464 6.967 14.104 1.00 33.32 N ATOM 700 CA SER A 44 13.938 6.744 12.743 1.00 54.21 C ATOM 701 C SER A 44 12.863 7.116 11.726 1.00 13.10 C ATOM 702 O SER A 44 13.151 7.734 10.701 1.00 73.23 O ATOM 703 CB SER A 44 14.350 5.283 12.556 1.00 1.31 C ATOM 704 OG SER A 44 15.760 5.145 12.570 1.00 43.21 O ATOM 0 H SER A 44 13.255 6.114 14.622 1.00 33.32 H new ATOM 0 HA SER A 44 14.806 7.382 12.578 1.00 54.21 H new ATOM 0 HB2 SER A 44 13.914 4.675 13.348 1.00 1.31 H new ATOM 0 HB3 SER A 44 13.954 4.908 11.612 1.00 1.31 H new ATOM 0 HG SER A 44 15.998 4.202 12.450 1.00 43.21 H new ATOM 710 N ILE A 45 11.624 6.735 12.018 1.00 41.15 N ATOM 711 CA ILE A 45 10.506 7.028 11.130 1.00 0.00 C ATOM 712 C ILE A 45 10.250 8.529 11.047 1.00 42.41 C ATOM 713 O ILE A 45 9.797 9.036 10.020 1.00 25.11 O ATOM 714 CB ILE A 45 9.218 6.325 11.596 1.00 73.40 C ATOM 715 CG1 ILE A 45 8.185 6.304 10.467 1.00 20.45 C ATOM 716 CG2 ILE A 45 8.652 7.017 12.827 1.00 73.31 C ATOM 717 CD1 ILE A 45 7.553 4.947 10.252 1.00 64.23 C ATOM 0 H ILE A 45 11.369 6.223 12.862 1.00 41.15 H new ATOM 0 HA ILE A 45 10.779 6.652 10.144 1.00 0.00 H new ATOM 0 HB ILE A 45 9.459 5.296 11.861 1.00 73.40 H new ATOM 0 HG12 ILE A 45 7.402 7.030 10.688 1.00 20.45 H new ATOM 0 HG13 ILE A 45 8.664 6.624 9.541 1.00 20.45 H new ATOM 0 HG21 ILE A 45 7.742 6.508 13.144 1.00 73.31 H new ATOM 0 HG22 ILE A 45 9.386 6.984 13.633 1.00 73.31 H new ATOM 0 HG23 ILE A 45 8.423 8.055 12.588 1.00 73.31 H new ATOM 0 HD11 ILE A 45 6.831 5.007 9.437 1.00 64.23 H new ATOM 0 HD12 ILE A 45 8.326 4.221 10.000 1.00 64.23 H new ATOM 0 HD13 ILE A 45 7.045 4.634 11.164 1.00 64.23 H new ATOM 729 N ASP A 46 10.543 9.235 12.133 1.00 72.30 N ATOM 730 CA ASP A 46 10.348 10.679 12.182 1.00 55.32 C ATOM 731 C ASP A 46 11.623 11.414 11.783 1.00 44.21 C ATOM 732 O ASP A 46 12.675 11.233 12.396 1.00 32.52 O ATOM 733 CB ASP A 46 9.914 11.110 13.584 1.00 25.25 C ATOM 734 CG ASP A 46 9.059 12.362 13.567 1.00 73.43 C ATOM 735 OD1 ASP A 46 9.173 13.145 12.601 1.00 1.23 O ATOM 736 OD2 ASP A 46 8.275 12.556 14.519 1.00 13.30 O ATOM 0 H ASP A 46 10.917 8.831 12.992 1.00 72.30 H new ATOM 0 HA ASP A 46 9.563 10.938 11.471 1.00 55.32 H new ATOM 0 HB2 ASP A 46 9.357 10.300 14.054 1.00 25.25 H new ATOM 0 HB3 ASP A 46 10.798 11.286 14.197 1.00 25.25 H new ATOM 741 N ALA A 47 11.524 12.244 10.749 1.00 11.11 N ATOM 742 CA ALA A 47 12.669 13.007 10.269 1.00 55.14 C ATOM 743 C ALA A 47 13.191 13.951 11.347 1.00 51.35 C ATOM 744 O ALA A 47 14.399 14.061 11.558 1.00 31.32 O ATOM 745 CB ALA A 47 12.296 13.787 9.017 1.00 53.24 C ATOM 0 H ALA A 47 10.662 12.405 10.228 1.00 11.11 H new ATOM 0 HA ALA A 47 13.465 12.304 10.022 1.00 55.14 H new ATOM 0 HB1 ALA A 47 13.161 14.352 8.669 1.00 53.24 H new ATOM 0 HB2 ALA A 47 11.978 13.094 8.238 1.00 53.24 H new ATOM 0 HB3 ALA A 47 11.481 14.474 9.246 1.00 53.24 H new ATOM 751 N ASP A 48 12.274 14.633 12.025 1.00 33.22 N ATOM 752 CA ASP A 48 12.642 15.568 13.082 1.00 63.02 C ATOM 753 C ASP A 48 12.274 15.010 14.453 1.00 11.11 C ATOM 754 O ASP A 48 12.761 15.485 15.478 1.00 31.14 O ATOM 755 CB ASP A 48 11.952 16.915 12.863 1.00 71.33 C ATOM 756 CG ASP A 48 10.444 16.785 12.767 1.00 25.20 C ATOM 757 OD1 ASP A 48 9.936 15.653 12.910 1.00 30.53 O ATOM 758 OD2 ASP A 48 9.773 17.815 12.550 1.00 74.21 O ATOM 0 H ASP A 48 11.270 14.556 11.861 1.00 33.22 H new ATOM 0 HA ASP A 48 13.722 15.712 13.047 1.00 63.02 H new ATOM 0 HB2 ASP A 48 12.204 17.587 13.684 1.00 71.33 H new ATOM 0 HB3 ASP A 48 12.333 17.371 11.949 1.00 71.33 H new ATOM 763 N GLY A 49 11.410 14.000 14.463 1.00 15.40 N ATOM 764 CA GLY A 49 10.990 13.396 15.713 1.00 13.24 C ATOM 765 C GLY A 49 10.344 14.395 16.653 1.00 4.42 C ATOM 766 O GLY A 49 10.472 14.284 17.871 1.00 4.42 O ATOM 0 H GLY A 49 10.993 13.589 13.627 1.00 15.40 H new ATOM 0 HA2 GLY A 49 10.286 12.590 15.505 1.00 13.24 H new ATOM 0 HA3 GLY A 49 11.853 12.946 16.204 1.00 13.24 H new ATOM 770 N ASN A 50 9.649 15.376 16.085 1.00 23.22 N ATOM 771 CA ASN A 50 8.984 16.400 16.880 1.00 52.43 C ATOM 772 C ASN A 50 7.589 15.945 17.298 1.00 31.13 C ATOM 773 O ASN A 50 6.591 16.323 16.687 1.00 12.53 O ATOM 774 CB ASN A 50 8.889 17.708 16.089 1.00 21.15 C ATOM 775 CG ASN A 50 8.130 17.542 14.787 1.00 22.22 C ATOM 776 OD1 ASN A 50 7.902 16.423 14.327 1.00 52.24 O ATOM 777 ND2 ASN A 50 7.736 18.658 14.186 1.00 72.22 N ATOM 0 H ASN A 50 9.532 15.482 15.077 1.00 23.22 H new ATOM 0 HA ASN A 50 9.577 16.568 17.779 1.00 52.43 H new ATOM 0 HB2 ASN A 50 8.396 18.464 16.700 1.00 21.15 H new ATOM 0 HB3 ASN A 50 9.893 18.075 15.877 1.00 21.15 H new ATOM 0 HD21 ASN A 50 7.222 18.609 13.306 1.00 72.22 H new ATOM 0 HD22 ASN A 50 7.947 19.564 14.604 1.00 72.22 H new ATOM 784 N GLY A 51 7.529 15.128 18.346 1.00 10.03 N ATOM 785 CA GLY A 51 6.252 14.633 18.829 1.00 25.12 C ATOM 786 C GLY A 51 5.606 13.659 17.864 1.00 33.33 C ATOM 787 O GLY A 51 5.111 12.609 18.272 1.00 13.41 O ATOM 0 H GLY A 51 8.341 14.800 18.869 1.00 10.03 H new ATOM 0 HA2 GLY A 51 6.396 14.144 19.792 1.00 25.12 H new ATOM 0 HA3 GLY A 51 5.579 15.474 18.996 1.00 25.12 H new ATOM 791 N GLU A 52 5.609 14.008 16.582 1.00 44.45 N ATOM 792 CA GLU A 52 5.015 13.157 15.557 1.00 4.31 C ATOM 793 C GLU A 52 5.690 13.380 14.206 1.00 15.05 C ATOM 794 O GLU A 52 6.425 14.351 14.021 1.00 72.54 O ATOM 795 CB GLU A 52 3.515 13.431 15.442 1.00 33.31 C ATOM 796 CG GLU A 52 3.163 14.909 15.453 1.00 70.23 C ATOM 797 CD GLU A 52 4.044 15.725 14.526 1.00 21.41 C ATOM 798 OE1 GLU A 52 4.085 15.409 13.318 1.00 43.42 O ATOM 799 OE2 GLU A 52 4.691 16.676 15.008 1.00 4.32 O ATOM 0 H GLU A 52 6.016 14.874 16.228 1.00 44.45 H new ATOM 0 HA GLU A 52 5.165 12.118 15.851 1.00 4.31 H new ATOM 0 HB2 GLU A 52 3.142 12.984 14.520 1.00 33.31 H new ATOM 0 HB3 GLU A 52 3.000 12.937 16.266 1.00 33.31 H new ATOM 0 HG2 GLU A 52 2.120 15.033 15.160 1.00 70.23 H new ATOM 0 HG3 GLU A 52 3.256 15.293 16.469 1.00 70.23 H new ATOM 806 N ILE A 53 5.435 12.475 13.268 1.00 55.24 N ATOM 807 CA ILE A 53 6.015 12.574 11.935 1.00 64.14 C ATOM 808 C ILE A 53 5.041 13.220 10.956 1.00 14.30 C ATOM 809 O ILE A 53 3.880 12.820 10.863 1.00 32.41 O ATOM 810 CB ILE A 53 6.424 11.190 11.395 1.00 34.11 C ATOM 811 CG1 ILE A 53 6.988 10.325 12.523 1.00 12.32 C ATOM 812 CG2 ILE A 53 7.441 11.338 10.274 1.00 62.14 C ATOM 813 CD1 ILE A 53 6.080 9.183 12.922 1.00 54.34 C ATOM 0 H ILE A 53 4.831 11.665 13.406 1.00 55.24 H new ATOM 0 HA ILE A 53 6.904 13.199 12.025 1.00 64.14 H new ATOM 0 HB ILE A 53 5.539 10.697 10.993 1.00 34.11 H new ATOM 0 HG12 ILE A 53 7.951 9.921 12.213 1.00 12.32 H new ATOM 0 HG13 ILE A 53 7.172 10.953 13.394 1.00 12.32 H new ATOM 0 HG21 ILE A 53 7.720 10.352 9.903 1.00 62.14 H new ATOM 0 HG22 ILE A 53 7.006 11.921 9.462 1.00 62.14 H new ATOM 0 HG23 ILE A 53 8.327 11.848 10.652 1.00 62.14 H new ATOM 0 HD11 ILE A 53 6.544 8.613 13.727 1.00 54.34 H new ATOM 0 HD12 ILE A 53 5.124 9.580 13.264 1.00 54.34 H new ATOM 0 HD13 ILE A 53 5.916 8.532 12.064 1.00 54.34 H new ATOM 825 N ASP A 54 5.520 14.222 10.228 1.00 40.14 N ATOM 826 CA ASP A 54 4.692 14.924 9.254 1.00 64.24 C ATOM 827 C ASP A 54 4.628 14.152 7.939 1.00 54.45 C ATOM 828 O ASP A 54 5.485 13.316 7.658 1.00 70.03 O ATOM 829 CB ASP A 54 5.238 16.331 9.006 1.00 12.13 C ATOM 830 CG ASP A 54 5.712 17.000 10.282 1.00 65.21 C ATOM 831 OD1 ASP A 54 5.157 16.691 11.356 1.00 73.32 O ATOM 832 OD2 ASP A 54 6.640 17.833 10.206 1.00 22.02 O ATOM 0 H ASP A 54 6.478 14.567 10.294 1.00 40.14 H new ATOM 0 HA ASP A 54 3.684 15.001 9.661 1.00 64.24 H new ATOM 0 HB2 ASP A 54 6.065 16.277 8.298 1.00 12.13 H new ATOM 0 HB3 ASP A 54 4.463 16.943 8.545 1.00 12.13 H new ATOM 837 N GLN A 55 3.605 14.439 7.140 1.00 50.03 N ATOM 838 CA GLN A 55 3.429 13.770 5.856 1.00 35.13 C ATOM 839 C GLN A 55 4.695 13.871 5.011 1.00 15.32 C ATOM 840 O GLN A 55 5.139 12.887 4.422 1.00 52.13 O ATOM 841 CB GLN A 55 2.246 14.377 5.099 1.00 50.32 C ATOM 842 CG GLN A 55 2.325 15.889 4.958 1.00 75.14 C ATOM 843 CD GLN A 55 1.019 16.500 4.489 1.00 62.12 C ATOM 844 OE1 GLN A 55 -0.061 16.071 4.895 1.00 32.13 O ATOM 845 NE2 GLN A 55 1.112 17.508 3.629 1.00 1.15 N ATOM 0 H GLN A 55 2.887 15.129 7.359 1.00 50.03 H new ATOM 0 HA GLN A 55 3.226 12.716 6.048 1.00 35.13 H new ATOM 0 HB2 GLN A 55 2.193 13.930 4.106 1.00 50.32 H new ATOM 0 HB3 GLN A 55 1.322 14.116 5.616 1.00 50.32 H new ATOM 0 HG2 GLN A 55 2.602 16.326 5.917 1.00 75.14 H new ATOM 0 HG3 GLN A 55 3.115 16.144 4.252 1.00 75.14 H new ATOM 0 HE21 GLN A 55 2.029 17.831 3.319 1.00 1.15 H new ATOM 0 HE22 GLN A 55 0.267 17.959 3.278 1.00 1.15 H new ATOM 854 N ASN A 56 5.270 15.068 4.957 1.00 74.23 N ATOM 855 CA ASN A 56 6.484 15.298 4.182 1.00 1.53 C ATOM 856 C ASN A 56 7.616 14.399 4.667 1.00 0.23 C ATOM 857 O ASN A 56 8.277 13.733 3.871 1.00 43.52 O ATOM 858 CB ASN A 56 6.905 16.766 4.280 1.00 21.02 C ATOM 859 CG ASN A 56 7.459 17.296 2.972 1.00 44.43 C ATOM 860 OD1 ASN A 56 7.712 16.535 2.038 1.00 63.24 O ATOM 861 ND2 ASN A 56 7.650 18.608 2.899 1.00 1.42 N ATOM 0 H ASN A 56 4.915 15.893 5.440 1.00 74.23 H new ATOM 0 HA ASN A 56 6.273 15.056 3.140 1.00 1.53 H new ATOM 0 HB2 ASN A 56 6.047 17.368 4.579 1.00 21.02 H new ATOM 0 HB3 ASN A 56 7.658 16.874 5.061 1.00 21.02 H new ATOM 0 HD21 ASN A 56 8.020 19.023 2.044 1.00 1.42 H new ATOM 0 HD22 ASN A 56 7.426 19.201 3.698 1.00 1.42 H new ATOM 868 N GLU A 57 7.833 14.385 5.979 1.00 61.32 N ATOM 869 CA GLU A 57 8.887 13.567 6.569 1.00 13.02 C ATOM 870 C GLU A 57 8.682 12.092 6.235 1.00 13.32 C ATOM 871 O GLU A 57 9.632 11.382 5.903 1.00 75.43 O ATOM 872 CB GLU A 57 8.920 13.757 8.087 1.00 32.41 C ATOM 873 CG GLU A 57 9.042 15.210 8.517 1.00 61.33 C ATOM 874 CD GLU A 57 8.685 15.419 9.975 1.00 11.31 C ATOM 875 OE1 GLU A 57 8.218 14.453 10.616 1.00 43.32 O ATOM 876 OE2 GLU A 57 8.872 16.548 10.476 1.00 72.02 O ATOM 0 H GLU A 57 7.294 14.930 6.652 1.00 61.32 H new ATOM 0 HA GLU A 57 9.840 13.888 6.148 1.00 13.02 H new ATOM 0 HB2 GLU A 57 8.012 13.335 8.517 1.00 32.41 H new ATOM 0 HB3 GLU A 57 9.759 13.194 8.497 1.00 32.41 H new ATOM 0 HG2 GLU A 57 10.063 15.552 8.344 1.00 61.33 H new ATOM 0 HG3 GLU A 57 8.391 15.825 7.896 1.00 61.33 H new ATOM 883 N PHE A 58 7.436 11.637 6.327 1.00 44.54 N ATOM 884 CA PHE A 58 7.106 10.247 6.035 1.00 4.31 C ATOM 885 C PHE A 58 7.425 9.905 4.583 1.00 3.10 C ATOM 886 O PHE A 58 7.974 8.844 4.290 1.00 74.34 O ATOM 887 CB PHE A 58 5.627 9.981 6.321 1.00 3.42 C ATOM 888 CG PHE A 58 5.299 8.524 6.474 1.00 13.44 C ATOM 889 CD1 PHE A 58 5.090 7.726 5.360 1.00 55.32 C ATOM 890 CD2 PHE A 58 5.198 7.952 7.731 1.00 24.45 C ATOM 891 CE1 PHE A 58 4.787 6.386 5.498 1.00 21.53 C ATOM 892 CE2 PHE A 58 4.896 6.610 7.876 1.00 4.42 C ATOM 893 CZ PHE A 58 4.690 5.827 6.758 1.00 24.32 C ATOM 0 H PHE A 58 6.639 12.211 6.601 1.00 44.54 H new ATOM 0 HA PHE A 58 7.713 9.612 6.680 1.00 4.31 H new ATOM 0 HB2 PHE A 58 5.341 10.507 7.232 1.00 3.42 H new ATOM 0 HB3 PHE A 58 5.028 10.397 5.511 1.00 3.42 H new ATOM 0 HD1 PHE A 58 5.165 8.157 4.373 1.00 55.32 H new ATOM 0 HD2 PHE A 58 5.357 8.561 8.609 1.00 24.45 H new ATOM 0 HE1 PHE A 58 4.626 5.775 4.622 1.00 21.53 H new ATOM 0 HE2 PHE A 58 4.822 6.176 8.862 1.00 4.42 H new ATOM 0 HZ PHE A 58 4.453 4.779 6.868 1.00 24.32 H new ATOM 903 N ALA A 59 7.076 10.813 3.677 1.00 35.31 N ATOM 904 CA ALA A 59 7.326 10.609 2.256 1.00 54.34 C ATOM 905 C ALA A 59 8.818 10.477 1.974 1.00 70.25 C ATOM 906 O ALA A 59 9.256 9.530 1.320 1.00 11.14 O ATOM 907 CB ALA A 59 6.732 11.753 1.446 1.00 22.10 C ATOM 0 H ALA A 59 6.619 11.697 3.902 1.00 35.31 H new ATOM 0 HA ALA A 59 6.844 9.678 1.958 1.00 54.34 H new ATOM 0 HB1 ALA A 59 6.926 11.588 0.386 1.00 22.10 H new ATOM 0 HB2 ALA A 59 5.656 11.798 1.615 1.00 22.10 H new ATOM 0 HB3 ALA A 59 7.188 12.693 1.756 1.00 22.10 H new ATOM 913 N LYS A 60 9.596 11.434 2.469 1.00 75.10 N ATOM 914 CA LYS A 60 11.040 11.425 2.272 1.00 70.14 C ATOM 915 C LYS A 60 11.671 10.198 2.923 1.00 23.42 C ATOM 916 O LYS A 60 12.719 9.720 2.486 1.00 74.25 O ATOM 917 CB LYS A 60 11.662 12.699 2.849 1.00 64.55 C ATOM 918 CG LYS A 60 11.094 13.975 2.255 1.00 45.31 C ATOM 919 CD LYS A 60 11.873 14.414 1.026 1.00 73.42 C ATOM 920 CE LYS A 60 13.222 15.007 1.403 1.00 70.51 C ATOM 921 NZ LYS A 60 14.338 14.363 0.657 1.00 5.34 N ATOM 0 H LYS A 60 9.250 12.226 3.010 1.00 75.10 H new ATOM 0 HA LYS A 60 11.235 11.386 1.200 1.00 70.14 H new ATOM 0 HB2 LYS A 60 11.510 12.711 3.928 1.00 64.55 H new ATOM 0 HB3 LYS A 60 12.738 12.677 2.679 1.00 64.55 H new ATOM 0 HG2 LYS A 60 10.049 13.819 1.988 1.00 45.31 H new ATOM 0 HG3 LYS A 60 11.117 14.767 3.003 1.00 45.31 H new ATOM 0 HD2 LYS A 60 12.022 13.561 0.364 1.00 73.42 H new ATOM 0 HD3 LYS A 60 11.293 15.151 0.470 1.00 73.42 H new ATOM 0 HE2 LYS A 60 13.218 16.078 1.198 1.00 70.51 H new ATOM 0 HE3 LYS A 60 13.385 14.888 2.474 1.00 70.51 H new ATOM 0 HZ1 LYS A 60 15.240 14.795 0.942 1.00 5.34 H new ATOM 0 HZ2 LYS A 60 14.358 13.346 0.872 1.00 5.34 H new ATOM 0 HZ3 LYS A 60 14.197 14.498 -0.364 1.00 5.34 H new ATOM 935 N PHE A 61 11.027 9.691 3.969 1.00 51.33 N ATOM 936 CA PHE A 61 11.524 8.519 4.680 1.00 51.11 C ATOM 937 C PHE A 61 11.213 7.241 3.906 1.00 50.40 C ATOM 938 O PHE A 61 11.996 6.292 3.914 1.00 24.53 O ATOM 939 CB PHE A 61 10.908 8.445 6.078 1.00 44.40 C ATOM 940 CG PHE A 61 11.128 7.126 6.760 1.00 32.42 C ATOM 941 CD1 PHE A 61 12.382 6.537 6.774 1.00 61.15 C ATOM 942 CD2 PHE A 61 10.079 6.472 7.388 1.00 40.42 C ATOM 943 CE1 PHE A 61 12.587 5.322 7.401 1.00 40.14 C ATOM 944 CE2 PHE A 61 10.278 5.258 8.017 1.00 53.34 C ATOM 945 CZ PHE A 61 11.533 4.681 8.023 1.00 53.42 C ATOM 0 H PHE A 61 10.159 10.074 4.343 1.00 51.33 H new ATOM 0 HA PHE A 61 12.606 8.613 4.772 1.00 51.11 H new ATOM 0 HB2 PHE A 61 11.330 9.239 6.695 1.00 44.40 H new ATOM 0 HB3 PHE A 61 9.837 8.633 6.005 1.00 44.40 H new ATOM 0 HD1 PHE A 61 13.210 7.033 6.289 1.00 61.15 H new ATOM 0 HD2 PHE A 61 9.095 6.917 7.385 1.00 40.42 H new ATOM 0 HE1 PHE A 61 13.570 4.874 7.405 1.00 40.14 H new ATOM 0 HE2 PHE A 61 9.452 4.760 8.504 1.00 53.34 H new ATOM 0 HZ PHE A 61 11.690 3.731 8.513 1.00 53.42 H new ATOM 955 N TYR A 62 10.064 7.225 3.239 1.00 3.32 N ATOM 956 CA TYR A 62 9.647 6.064 2.464 1.00 74.35 C ATOM 957 C TYR A 62 10.616 5.799 1.315 1.00 15.12 C ATOM 958 O TYR A 62 10.799 6.641 0.437 1.00 50.43 O ATOM 959 CB TYR A 62 8.234 6.271 1.916 1.00 20.41 C ATOM 960 CG TYR A 62 7.796 5.195 0.947 1.00 1.32 C ATOM 961 CD1 TYR A 62 8.040 5.318 -0.414 1.00 43.42 C ATOM 962 CD2 TYR A 62 7.139 4.056 1.394 1.00 14.13 C ATOM 963 CE1 TYR A 62 7.642 4.339 -1.303 1.00 2.40 C ATOM 964 CE2 TYR A 62 6.737 3.070 0.514 1.00 41.35 C ATOM 965 CZ TYR A 62 6.991 3.217 -0.834 1.00 74.14 C ATOM 966 OH TYR A 62 6.593 2.238 -1.716 1.00 42.14 O ATOM 0 H TYR A 62 9.405 8.004 3.220 1.00 3.32 H new ATOM 0 HA TYR A 62 9.650 5.198 3.125 1.00 74.35 H new ATOM 0 HB2 TYR A 62 7.532 6.306 2.749 1.00 20.41 H new ATOM 0 HB3 TYR A 62 8.185 7.239 1.417 1.00 20.41 H new ATOM 0 HD1 TYR A 62 8.550 6.195 -0.784 1.00 43.42 H new ATOM 0 HD2 TYR A 62 6.939 3.939 2.449 1.00 14.13 H new ATOM 0 HE1 TYR A 62 7.839 4.451 -2.359 1.00 2.40 H new ATOM 0 HE2 TYR A 62 6.228 2.190 0.879 1.00 41.35 H new ATOM 0 HH TYR A 62 6.150 1.515 -1.224 1.00 42.14 H new ATOM 976 N GLY A 63 11.233 4.622 1.329 1.00 45.23 N ATOM 977 CA GLY A 63 12.175 4.266 0.284 1.00 52.13 C ATOM 978 C GLY A 63 13.603 4.624 0.644 1.00 23.35 C ATOM 979 O GLY A 63 14.516 4.447 -0.162 1.00 4.12 O ATOM 0 H GLY A 63 11.098 3.908 2.045 1.00 45.23 H new ATOM 0 HA2 GLY A 63 12.110 3.195 0.090 1.00 52.13 H new ATOM 0 HA3 GLY A 63 11.898 4.775 -0.639 1.00 52.13 H new ATOM 983 N SER A 64 13.797 5.128 1.859 1.00 51.43 N ATOM 984 CA SER A 64 15.124 5.517 2.322 1.00 15.40 C ATOM 985 C SER A 64 15.785 4.378 3.092 1.00 43.23 C ATOM 986 O SER A 64 16.670 4.605 3.918 1.00 30.51 O ATOM 987 CB SER A 64 15.034 6.761 3.209 1.00 55.44 C ATOM 988 OG SER A 64 16.319 7.181 3.631 1.00 64.30 O ATOM 0 H SER A 64 13.052 5.276 2.540 1.00 51.43 H new ATOM 0 HA SER A 64 15.734 5.746 1.448 1.00 15.40 H new ATOM 0 HB2 SER A 64 14.546 7.567 2.661 1.00 55.44 H new ATOM 0 HB3 SER A 64 14.414 6.547 4.080 1.00 55.44 H new ATOM 0 HG SER A 64 16.873 6.396 3.824 1.00 64.30 H new ATOM 994 N ILE A 65 15.350 3.154 2.814 1.00 43.13 N ATOM 995 CA ILE A 65 15.901 1.979 3.478 1.00 41.03 C ATOM 996 C ILE A 65 17.050 1.381 2.674 1.00 24.12 C ATOM 997 O ILE A 65 17.447 0.237 2.896 1.00 1.25 O ATOM 998 CB ILE A 65 14.825 0.899 3.695 1.00 63.11 C ATOM 999 CG1 ILE A 65 15.292 -0.115 4.741 1.00 22.33 C ATOM 1000 CG2 ILE A 65 14.502 0.202 2.381 1.00 23.12 C ATOM 1001 CD1 ILE A 65 14.160 -0.877 5.392 1.00 13.22 C ATOM 0 H ILE A 65 14.618 2.950 2.134 1.00 43.13 H new ATOM 0 HA ILE A 65 16.273 2.310 4.448 1.00 41.03 H new ATOM 0 HB ILE A 65 13.918 1.379 4.062 1.00 63.11 H new ATOM 0 HG12 ILE A 65 15.972 -0.824 4.269 1.00 22.33 H new ATOM 0 HG13 ILE A 65 15.859 0.406 5.512 1.00 22.33 H new ATOM 0 HG21 ILE A 65 13.740 -0.559 2.550 1.00 23.12 H new ATOM 0 HG22 ILE A 65 14.131 0.933 1.663 1.00 23.12 H new ATOM 0 HG23 ILE A 65 15.403 -0.268 1.988 1.00 23.12 H new ATOM 0 HD11 ILE A 65 14.565 -1.577 6.122 1.00 13.22 H new ATOM 0 HD12 ILE A 65 13.491 -0.177 5.893 1.00 13.22 H new ATOM 0 HD13 ILE A 65 13.606 -1.426 4.631 1.00 13.22 H new ATOM 1013 N GLN A 66 17.583 2.164 1.741 1.00 3.45 N ATOM 1014 CA GLN A 66 18.688 1.712 0.905 1.00 64.20 C ATOM 1015 C GLN A 66 19.877 1.283 1.760 1.00 65.03 C ATOM 1016 O GLN A 66 20.167 1.938 2.759 1.00 22.33 O ATOM 1017 CB GLN A 66 19.113 2.820 -0.060 1.00 75.23 C ATOM 1018 CG GLN A 66 19.282 4.176 0.607 1.00 73.22 C ATOM 1019 CD GLN A 66 20.643 4.789 0.345 1.00 1.04 C ATOM 1020 OE1 GLN A 66 21.632 4.078 0.161 1.00 12.31 O ATOM 1021 NE2 GLN A 66 20.702 6.116 0.329 1.00 63.43 N ATOM 0 H GLN A 66 17.267 3.114 1.546 1.00 3.45 H new ATOM 0 HA GLN A 66 18.347 0.851 0.330 1.00 64.20 H new ATOM 0 HB2 GLN A 66 20.053 2.537 -0.533 1.00 75.23 H new ATOM 0 HB3 GLN A 66 18.370 2.905 -0.853 1.00 75.23 H new ATOM 0 HG2 GLN A 66 18.507 4.853 0.247 1.00 73.22 H new ATOM 0 HG3 GLN A 66 19.137 4.069 1.682 1.00 73.22 H new ATOM 0 HE21 GLN A 66 19.857 6.666 0.486 1.00 63.43 H new ATOM 0 HE22 GLN A 66 21.592 6.585 0.159 1.00 63.43 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -2.986 12.018 13.119 1.00 11.24 CA HETATM 1032 CA CA A 102 7.298 15.546 13.091 1.00 21.32 CA