USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 MET CE :methyl -163:sc= -0.569 (180deg=-1.04) USER MOD Set 1.2: A 20 ASN : amide:sc= -7.12! C(o=-7.7!,f=-21!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.634 (180deg=-0.771) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0246 K(o=-0.025,f=-0.98) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 9 THR OG1 : rot 24:sc= 1.17 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0576 K(o=-0.058,f=-1) USER MOD Single : A 14 CYS SG : rot 70:sc= -3.26! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.093 X(o=-0.093,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= 1.15 (180deg=-0.282) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0377) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.739 -10.575 -8.297 1.00 0.00 N ATOM 2 CA MET A 1 5.250 -9.179 -8.284 1.00 0.00 C ATOM 3 C MET A 1 4.108 -8.172 -8.332 1.00 0.00 C ATOM 4 O MET A 1 3.884 -7.523 -9.354 1.00 0.00 O ATOM 5 CB MET A 1 6.175 -8.988 -9.487 1.00 0.00 C ATOM 6 CG MET A 1 7.633 -9.295 -9.188 1.00 0.00 C ATOM 7 SD MET A 1 8.601 -9.599 -10.679 1.00 0.00 S ATOM 8 CE MET A 1 9.417 -8.017 -10.881 1.00 0.00 C ATOM 0 H1 MET A 1 5.449 -11.201 -8.728 1.00 0.00 H new ATOM 0 H2 MET A 1 4.550 -10.885 -7.322 1.00 0.00 H new ATOM 0 H3 MET A 1 3.859 -10.618 -8.850 1.00 0.00 H new ATOM 0 HA MET A 1 5.798 -9.007 -7.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.837 -9.630 -10.300 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.093 -7.959 -9.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.071 -8.461 -8.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.690 -10.168 -8.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.054 -8.047 -11.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.668 -7.234 -11.000 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.026 -7.807 -10.002 1.00 0.00 H new ATOM 20 N MET A 2 3.386 -8.034 -7.220 1.00 0.00 N ATOM 21 CA MET A 2 2.277 -7.094 -7.161 1.00 0.00 C ATOM 22 C MET A 2 2.789 -5.667 -6.978 1.00 0.00 C ATOM 23 O MET A 2 3.372 -5.334 -5.948 1.00 0.00 O ATOM 24 CB MET A 2 1.323 -7.463 -6.021 1.00 0.00 C ATOM 25 CG MET A 2 0.016 -8.078 -6.496 1.00 0.00 C ATOM 26 SD MET A 2 -1.396 -6.981 -6.261 1.00 0.00 S ATOM 27 CE MET A 2 -2.069 -7.622 -4.730 1.00 0.00 C ATOM 0 H MET A 2 3.550 -8.556 -6.359 1.00 0.00 H new ATOM 0 HA MET A 2 1.733 -7.148 -8.104 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.823 -8.164 -5.353 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.103 -6.568 -5.438 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.102 -8.332 -7.553 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.159 -9.009 -5.958 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.951 -7.046 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.346 -8.668 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.320 -7.544 -3.942 1.00 0.00 H new ATOM 37 N LYS A 3 2.568 -4.825 -7.983 1.00 0.00 N ATOM 38 CA LYS A 3 3.006 -3.435 -7.919 1.00 0.00 C ATOM 39 C LYS A 3 2.180 -2.673 -6.893 1.00 0.00 C ATOM 40 O LYS A 3 1.009 -2.366 -7.120 1.00 0.00 O ATOM 41 CB LYS A 3 2.885 -2.772 -9.291 1.00 0.00 C ATOM 42 CG LYS A 3 4.209 -2.661 -10.032 1.00 0.00 C ATOM 43 CD LYS A 3 4.756 -1.241 -9.992 1.00 0.00 C ATOM 44 CE LYS A 3 4.813 -0.624 -11.381 1.00 0.00 C ATOM 45 NZ LYS A 3 3.453 -0.395 -11.942 1.00 0.00 N ATOM 0 H LYS A 3 2.090 -5.079 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 3 4.053 -3.414 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.184 -3.342 -9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.462 -1.775 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.934 -3.343 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.074 -2.970 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.129 -0.627 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.754 -1.247 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.351 0.323 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.375 -1.279 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.535 0.026 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.948 -1.302 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.925 0.250 -11.320 1.00 0.00 H new ATOM 59 N ILE A 4 2.798 -2.388 -5.758 1.00 0.00 N ATOM 60 CA ILE A 4 2.128 -1.680 -4.676 1.00 0.00 C ATOM 61 C ILE A 4 2.793 -0.338 -4.391 1.00 0.00 C ATOM 62 O ILE A 4 4.003 -0.260 -4.189 1.00 0.00 O ATOM 63 CB ILE A 4 2.114 -2.537 -3.394 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.574 -3.937 -3.714 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.292 -1.862 -2.305 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.217 -4.767 -2.497 1.00 0.00 C ATOM 0 H ILE A 4 3.767 -2.637 -5.561 1.00 0.00 H new ATOM 0 HA ILE A 4 1.102 -1.493 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 4 3.133 -2.637 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.689 -3.836 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.320 -4.475 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.295 -2.483 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.724 -0.889 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.267 -1.730 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.844 -5.740 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.103 -4.904 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.447 -4.255 -1.921 1.00 0.00 H new ATOM 78 N GLN A 5 1.986 0.717 -4.379 1.00 0.00 N ATOM 79 CA GLN A 5 2.481 2.064 -4.119 1.00 0.00 C ATOM 80 C GLN A 5 1.989 2.557 -2.764 1.00 0.00 C ATOM 81 O GLN A 5 0.868 2.257 -2.359 1.00 0.00 O ATOM 82 CB GLN A 5 2.027 3.020 -5.224 1.00 0.00 C ATOM 83 CG GLN A 5 3.025 3.149 -6.363 1.00 0.00 C ATOM 84 CD GLN A 5 3.264 1.835 -7.080 1.00 0.00 C ATOM 85 OE1 GLN A 5 4.364 1.283 -7.041 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.232 1.325 -7.742 1.00 0.00 N ATOM 0 H GLN A 5 0.981 0.665 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 5 3.571 2.036 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.074 2.674 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.852 4.005 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.662 3.888 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.971 3.522 -5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.338 1.815 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.334 0.443 -8.244 1.00 0.00 H new ATOM 95 N ILE A 6 2.828 3.314 -2.067 1.00 0.00 N ATOM 96 CA ILE A 6 2.466 3.838 -0.756 1.00 0.00 C ATOM 97 C ILE A 6 2.610 5.351 -0.721 1.00 0.00 C ATOM 98 O ILE A 6 3.725 5.873 -0.734 1.00 0.00 O ATOM 99 CB ILE A 6 3.343 3.221 0.350 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.408 1.699 0.191 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.812 3.597 1.725 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.687 1.213 -0.455 1.00 0.00 C ATOM 0 H ILE A 6 3.760 3.578 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 6 1.425 3.570 -0.575 1.00 0.00 H new ATOM 0 HB ILE A 6 4.353 3.620 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.307 1.235 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.559 1.368 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.444 3.152 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.818 4.682 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.793 3.227 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.664 0.126 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.781 1.649 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.539 1.513 0.154 1.00 0.00 H new ATOM 114 N TYR A 7 1.485 6.061 -0.692 1.00 0.00 N ATOM 115 CA TYR A 7 1.524 7.511 -0.672 1.00 0.00 C ATOM 116 C TYR A 7 1.392 8.054 0.740 1.00 0.00 C ATOM 117 O TYR A 7 0.371 7.873 1.401 1.00 0.00 O ATOM 118 CB TYR A 7 0.445 8.076 -1.602 1.00 0.00 C ATOM 119 CG TYR A 7 0.554 7.525 -3.011 1.00 0.00 C ATOM 120 CD1 TYR A 7 -0.043 6.320 -3.341 1.00 0.00 C ATOM 121 CD2 TYR A 7 1.275 8.187 -4.002 1.00 0.00 C ATOM 122 CE1 TYR A 7 0.067 5.783 -4.607 1.00 0.00 C ATOM 123 CE2 TYR A 7 1.386 7.659 -5.274 1.00 0.00 C ATOM 124 CZ TYR A 7 0.784 6.456 -5.570 1.00 0.00 C ATOM 125 OH TYR A 7 0.898 5.926 -6.835 1.00 0.00 O ATOM 0 H TYR A 7 0.548 5.657 -0.682 1.00 0.00 H new ATOM 0 HA TYR A 7 2.497 7.836 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.540 7.841 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.527 9.163 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.608 5.788 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.754 9.127 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.406 4.841 -4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.943 8.188 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 7 1.435 6.526 -7.394 1.00 0.00 H new ATOM 135 N GLY A 8 2.454 8.713 1.198 1.00 0.00 N ATOM 136 CA GLY A 8 2.463 9.274 2.534 1.00 0.00 C ATOM 137 C GLY A 8 3.868 9.539 3.038 1.00 0.00 C ATOM 138 O GLY A 8 4.404 10.632 2.854 1.00 0.00 O ATOM 0 H GLY A 8 3.309 8.867 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.896 10.205 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.958 8.590 3.216 1.00 0.00 H new ATOM 142 N THR A 9 4.465 8.535 3.675 1.00 0.00 N ATOM 143 CA THR A 9 5.820 8.656 4.208 1.00 0.00 C ATOM 144 C THR A 9 5.981 9.926 5.039 1.00 0.00 C ATOM 145 O THR A 9 6.228 11.005 4.501 1.00 0.00 O ATOM 146 CB THR A 9 6.869 8.657 3.081 1.00 0.00 C ATOM 147 OG1 THR A 9 6.564 9.679 2.124 1.00 0.00 O ATOM 148 CG2 THR A 9 6.919 7.304 2.388 1.00 0.00 C ATOM 0 H THR A 9 4.031 7.626 3.835 1.00 0.00 H new ATOM 0 HA THR A 9 5.983 7.788 4.847 1.00 0.00 H new ATOM 0 HB THR A 9 7.844 8.857 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.026 10.377 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.667 7.329 1.596 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.183 6.534 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.943 7.079 1.959 1.00 0.00 H new ATOM 156 N GLY A 10 5.840 9.788 6.354 1.00 0.00 N ATOM 157 CA GLY A 10 5.974 10.931 7.239 1.00 0.00 C ATOM 158 C GLY A 10 4.705 11.209 8.019 1.00 0.00 C ATOM 159 O GLY A 10 4.600 10.855 9.193 1.00 0.00 O ATOM 0 H GLY A 10 5.635 8.905 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.794 10.754 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.238 11.812 6.653 1.00 0.00 H new ATOM 163 N CYS A 11 3.738 11.844 7.366 1.00 0.00 N ATOM 164 CA CYS A 11 2.469 12.168 8.006 1.00 0.00 C ATOM 165 C CYS A 11 1.499 10.995 7.908 1.00 0.00 C ATOM 166 O CYS A 11 0.771 10.699 8.855 1.00 0.00 O ATOM 167 CB CYS A 11 1.852 13.411 7.364 1.00 0.00 C ATOM 168 SG CYS A 11 0.724 14.318 8.448 1.00 0.00 S ATOM 0 H CYS A 11 3.809 12.144 6.394 1.00 0.00 H new ATOM 0 HA CYS A 11 2.662 12.372 9.059 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.653 14.080 7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.313 13.113 6.464 1.00 0.00 H new ATOM 0 HG CYS A 11 0.255 15.353 7.817 1.00 0.00 H new ATOM 174 N ALA A 12 1.499 10.331 6.757 1.00 0.00 N ATOM 175 CA ALA A 12 0.621 9.188 6.535 1.00 0.00 C ATOM 176 C ALA A 12 1.188 7.930 7.188 1.00 0.00 C ATOM 177 O ALA A 12 2.334 7.553 6.941 1.00 0.00 O ATOM 178 CB ALA A 12 0.411 8.971 5.042 1.00 0.00 C ATOM 0 H ALA A 12 2.097 10.564 5.964 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.344 9.399 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.246 8.115 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.043 9.861 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.372 8.782 4.563 1.00 0.00 H new ATOM 184 N ASN A 13 0.380 7.288 8.028 1.00 0.00 N ATOM 185 CA ASN A 13 0.797 6.072 8.725 1.00 0.00 C ATOM 186 C ASN A 13 0.778 4.845 7.807 1.00 0.00 C ATOM 187 O ASN A 13 0.736 3.711 8.283 1.00 0.00 O ATOM 188 CB ASN A 13 -0.108 5.825 9.933 1.00 0.00 C ATOM 189 CG ASN A 13 0.650 5.259 11.118 1.00 0.00 C ATOM 190 OD1 ASN A 13 1.771 4.769 10.977 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.040 5.322 12.296 1.00 0.00 N ATOM 0 H ASN A 13 -0.570 7.590 8.244 1.00 0.00 H new ATOM 0 HA ASN A 13 1.825 6.223 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.585 6.761 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.904 5.136 9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.501 4.956 13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.889 5.737 12.368 1.00 0.00 H new ATOM 198 N CYS A 14 0.806 5.070 6.495 1.00 0.00 N ATOM 199 CA CYS A 14 0.788 3.968 5.532 1.00 0.00 C ATOM 200 C CYS A 14 1.973 3.022 5.736 1.00 0.00 C ATOM 201 O CYS A 14 1.947 1.877 5.287 1.00 0.00 O ATOM 202 CB CYS A 14 0.800 4.508 4.098 1.00 0.00 C ATOM 203 SG CYS A 14 2.003 5.828 3.814 1.00 0.00 S ATOM 0 H CYS A 14 0.841 5.999 6.075 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.130 3.405 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.011 3.686 3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.195 4.879 3.853 1.00 0.00 H new ATOM 0 HG CYS A 14 3.206 5.336 3.859 1.00 0.00 H new ATOM 209 N GLN A 15 3.011 3.509 6.408 1.00 0.00 N ATOM 210 CA GLN A 15 4.208 2.720 6.669 1.00 0.00 C ATOM 211 C GLN A 15 3.867 1.403 7.371 1.00 0.00 C ATOM 212 O GLN A 15 4.545 0.393 7.178 1.00 0.00 O ATOM 213 CB GLN A 15 5.177 3.561 7.508 1.00 0.00 C ATOM 214 CG GLN A 15 5.267 3.155 8.972 1.00 0.00 C ATOM 215 CD GLN A 15 6.059 4.145 9.804 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.213 3.897 10.151 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.441 5.273 10.130 1.00 0.00 N ATOM 0 H GLN A 15 3.046 4.456 6.785 1.00 0.00 H new ATOM 0 HA GLN A 15 4.680 2.457 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.171 3.496 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.872 4.606 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.261 3.064 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.731 2.172 9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.483 5.437 9.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.924 5.976 10.690 1.00 0.00 H new ATOM 226 N MET A 16 2.816 1.423 8.183 1.00 0.00 N ATOM 227 CA MET A 16 2.393 0.232 8.910 1.00 0.00 C ATOM 228 C MET A 16 1.965 -0.866 7.942 1.00 0.00 C ATOM 229 O MET A 16 2.452 -1.995 8.013 1.00 0.00 O ATOM 230 CB MET A 16 1.245 0.572 9.864 1.00 0.00 C ATOM 231 CG MET A 16 1.486 0.117 11.293 1.00 0.00 C ATOM 232 SD MET A 16 1.782 -1.657 11.417 1.00 0.00 S ATOM 233 CE MET A 16 0.289 -2.301 10.665 1.00 0.00 C ATOM 0 H MET A 16 2.242 2.249 8.354 1.00 0.00 H new ATOM 0 HA MET A 16 3.239 -0.132 9.493 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.085 1.650 9.857 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.329 0.112 9.495 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.342 0.654 11.701 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.623 0.381 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.173 -3.352 10.929 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.572 -1.739 11.026 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.357 -2.204 9.581 1.00 0.00 H new ATOM 243 N LEU A 17 1.057 -0.527 7.034 1.00 0.00 N ATOM 244 CA LEU A 17 0.574 -1.486 6.052 1.00 0.00 C ATOM 245 C LEU A 17 1.668 -1.832 5.053 1.00 0.00 C ATOM 246 O LEU A 17 1.705 -2.936 4.518 1.00 0.00 O ATOM 247 CB LEU A 17 -0.644 -0.934 5.314 1.00 0.00 C ATOM 248 CG LEU A 17 -1.314 -1.917 4.349 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.828 -1.848 4.480 1.00 0.00 C ATOM 250 CD2 LEU A 17 -0.887 -1.631 2.917 1.00 0.00 C ATOM 0 H LEU A 17 0.643 0.402 6.959 1.00 0.00 H new ATOM 0 HA LEU A 17 0.284 -2.392 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.381 -0.611 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.341 -0.048 4.755 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.994 -2.926 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.286 -2.553 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.117 -2.102 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.168 -0.839 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.372 -2.338 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.177 -0.616 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.195 -1.734 2.833 1.00 0.00 H new ATOM 262 N GLU A 18 2.562 -0.884 4.805 1.00 0.00 N ATOM 263 CA GLU A 18 3.664 -1.118 3.860 1.00 0.00 C ATOM 264 C GLU A 18 4.461 -2.355 4.267 1.00 0.00 C ATOM 265 O GLU A 18 4.869 -3.152 3.420 1.00 0.00 O ATOM 266 CB GLU A 18 4.615 0.092 3.747 1.00 0.00 C ATOM 267 CG GLU A 18 5.759 -0.135 2.772 1.00 0.00 C ATOM 268 CD GLU A 18 6.947 -0.821 3.417 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.495 -0.267 4.392 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.329 -1.914 2.947 1.00 0.00 O ATOM 0 H GLU A 18 2.554 0.042 5.233 1.00 0.00 H new ATOM 0 HA GLU A 18 3.209 -1.274 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.045 0.966 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.025 0.317 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.405 -0.739 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.077 0.823 2.361 1.00 0.00 H new ATOM 277 N LYS A 19 4.686 -2.507 5.570 1.00 0.00 N ATOM 278 CA LYS A 19 5.441 -3.642 6.093 1.00 0.00 C ATOM 279 C LYS A 19 4.637 -4.941 6.028 1.00 0.00 C ATOM 280 O LYS A 19 5.114 -5.949 5.502 1.00 0.00 O ATOM 281 CB LYS A 19 5.869 -3.370 7.536 1.00 0.00 C ATOM 282 CG LYS A 19 7.115 -4.132 7.955 1.00 0.00 C ATOM 283 CD LYS A 19 7.300 -4.111 9.464 1.00 0.00 C ATOM 284 CE LYS A 19 8.684 -4.600 9.862 1.00 0.00 C ATOM 285 NZ LYS A 19 8.936 -4.429 11.319 1.00 0.00 N ATOM 0 H LYS A 19 4.356 -1.857 6.284 1.00 0.00 H new ATOM 0 HA LYS A 19 6.324 -3.764 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.049 -2.302 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.050 -3.634 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.045 -5.164 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.990 -3.694 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.150 -3.098 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.542 -4.738 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.787 -5.652 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.439 -4.053 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.890 -4.774 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.863 -3.422 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.232 -4.971 11.859 1.00 0.00 H new ATOM 299 N ASN A 20 3.420 -4.922 6.570 1.00 0.00 N ATOM 300 CA ASN A 20 2.581 -6.123 6.565 1.00 0.00 C ATOM 301 C ASN A 20 2.216 -6.522 5.142 1.00 0.00 C ATOM 302 O ASN A 20 2.090 -7.705 4.831 1.00 0.00 O ATOM 303 CB ASN A 20 1.311 -5.944 7.413 1.00 0.00 C ATOM 304 CG ASN A 20 0.412 -4.820 6.938 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.322 -4.536 5.746 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.270 -4.181 7.881 1.00 0.00 N ATOM 0 H ASN A 20 2.997 -4.105 7.011 1.00 0.00 H new ATOM 0 HA ASN A 20 3.167 -6.924 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.746 -6.876 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.599 -5.754 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.900 -3.420 7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.164 -4.451 8.859 1.00 0.00 H new ATOM 313 N ALA A 21 2.051 -5.527 4.281 1.00 0.00 N ATOM 314 CA ALA A 21 1.707 -5.774 2.889 1.00 0.00 C ATOM 315 C ALA A 21 2.787 -6.603 2.199 1.00 0.00 C ATOM 316 O ALA A 21 2.487 -7.574 1.511 1.00 0.00 O ATOM 317 CB ALA A 21 1.491 -4.461 2.155 1.00 0.00 C ATOM 0 H ALA A 21 2.150 -4.541 4.523 1.00 0.00 H new ATOM 0 HA ALA A 21 0.777 -6.343 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.234 -4.663 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.679 -3.909 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.404 -3.868 2.194 1.00 0.00 H new ATOM 323 N ARG A 22 4.047 -6.218 2.387 1.00 0.00 N ATOM 324 CA ARG A 22 5.162 -6.939 1.781 1.00 0.00 C ATOM 325 C ARG A 22 5.148 -8.408 2.192 1.00 0.00 C ATOM 326 O ARG A 22 5.378 -9.292 1.368 1.00 0.00 O ATOM 327 CB ARG A 22 6.495 -6.296 2.188 1.00 0.00 C ATOM 328 CG ARG A 22 7.121 -5.446 1.094 1.00 0.00 C ATOM 329 CD ARG A 22 8.580 -5.142 1.391 1.00 0.00 C ATOM 330 NE ARG A 22 9.384 -6.358 1.495 1.00 0.00 N ATOM 331 CZ ARG A 22 10.638 -6.383 1.940 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.235 -5.261 2.321 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.295 -7.532 2.004 1.00 0.00 N ATOM 0 H ARG A 22 4.320 -5.414 2.952 1.00 0.00 H new ATOM 0 HA ARG A 22 5.053 -6.882 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.335 -5.677 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.196 -7.081 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.044 -5.966 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.567 -4.513 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.985 -4.506 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.651 -4.580 2.322 1.00 0.00 H new ATOM 0 HE ARG A 22 8.959 -7.240 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.733 -4.375 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.196 -5.285 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.840 -8.397 1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.256 -7.552 2.345 1.00 0.00 H new ATOM 347 N GLU A 23 4.877 -8.662 3.468 1.00 0.00 N ATOM 348 CA GLU A 23 4.838 -10.030 3.977 1.00 0.00 C ATOM 349 C GLU A 23 3.601 -10.771 3.467 1.00 0.00 C ATOM 350 O GLU A 23 3.698 -11.900 2.991 1.00 0.00 O ATOM 351 CB GLU A 23 4.863 -10.031 5.511 1.00 0.00 C ATOM 352 CG GLU A 23 4.588 -11.393 6.132 1.00 0.00 C ATOM 353 CD GLU A 23 3.188 -11.500 6.703 1.00 0.00 C ATOM 354 OE1 GLU A 23 2.254 -11.814 5.934 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.024 -11.271 7.920 1.00 0.00 O ATOM 0 H GLU A 23 4.682 -7.944 4.166 1.00 0.00 H new ATOM 0 HA GLU A 23 5.722 -10.552 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.838 -9.679 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.123 -9.320 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.729 -12.167 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.314 -11.581 6.922 1.00 0.00 H new ATOM 362 N ALA A 24 2.442 -10.130 3.575 1.00 0.00 N ATOM 363 CA ALA A 24 1.187 -10.733 3.130 1.00 0.00 C ATOM 364 C ALA A 24 1.190 -10.997 1.629 1.00 0.00 C ATOM 365 O ALA A 24 0.901 -12.107 1.191 1.00 0.00 O ATOM 366 CB ALA A 24 0.011 -9.846 3.510 1.00 0.00 C ATOM 0 H ALA A 24 2.344 -9.193 3.966 1.00 0.00 H new ATOM 0 HA ALA A 24 1.085 -11.694 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.917 -10.308 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.018 -9.724 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.124 -8.870 3.038 1.00 0.00 H new ATOM 372 N VAL A 25 1.516 -9.978 0.844 1.00 0.00 N ATOM 373 CA VAL A 25 1.547 -10.122 -0.607 1.00 0.00 C ATOM 374 C VAL A 25 2.436 -11.306 -1.007 1.00 0.00 C ATOM 375 O VAL A 25 1.986 -12.223 -1.694 1.00 0.00 O ATOM 376 CB VAL A 25 2.021 -8.808 -1.299 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.511 -8.568 -1.093 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.676 -8.838 -2.780 1.00 0.00 C ATOM 0 H VAL A 25 1.761 -9.048 1.184 1.00 0.00 H new ATOM 0 HA VAL A 25 0.531 -10.322 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 25 1.493 -7.976 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.803 -7.643 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.723 -8.489 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.075 -9.400 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.013 -7.914 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.171 -9.687 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.597 -8.934 -2.900 1.00 0.00 H new ATOM 388 N LYS A 26 3.684 -11.296 -0.550 1.00 0.00 N ATOM 389 CA LYS A 26 4.617 -12.383 -0.834 1.00 0.00 C ATOM 390 C LYS A 26 4.119 -13.694 -0.225 1.00 0.00 C ATOM 391 O LYS A 26 4.081 -14.726 -0.894 1.00 0.00 O ATOM 392 CB LYS A 26 6.003 -12.047 -0.274 1.00 0.00 C ATOM 393 CG LYS A 26 7.024 -11.689 -1.341 1.00 0.00 C ATOM 394 CD LYS A 26 8.430 -11.622 -0.766 1.00 0.00 C ATOM 395 CE LYS A 26 9.434 -12.332 -1.661 1.00 0.00 C ATOM 396 NZ LYS A 26 9.747 -13.701 -1.166 1.00 0.00 N ATOM 0 H LYS A 26 4.074 -10.546 0.020 1.00 0.00 H new ATOM 0 HA LYS A 26 4.685 -12.503 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.911 -11.213 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.371 -12.900 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.991 -12.429 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.765 -10.728 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.724 -10.580 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.441 -12.075 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.037 -12.394 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.352 -11.746 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.435 -14.152 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.149 -13.641 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.876 -14.268 -1.140 1.00 0.00 H new ATOM 410 N GLU A 27 3.745 -13.644 1.054 1.00 0.00 N ATOM 411 CA GLU A 27 3.254 -14.825 1.762 1.00 0.00 C ATOM 412 C GLU A 27 2.031 -15.419 1.068 1.00 0.00 C ATOM 413 O GLU A 27 1.945 -16.631 0.873 1.00 0.00 O ATOM 414 CB GLU A 27 2.909 -14.473 3.209 1.00 0.00 C ATOM 415 CG GLU A 27 2.431 -15.662 4.028 1.00 0.00 C ATOM 416 CD GLU A 27 3.143 -15.777 5.362 1.00 0.00 C ATOM 417 OE1 GLU A 27 2.966 -14.876 6.209 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.877 -16.768 5.560 1.00 0.00 O ATOM 0 H GLU A 27 3.773 -12.797 1.621 1.00 0.00 H new ATOM 0 HA GLU A 27 4.048 -15.571 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.788 -14.042 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.135 -13.705 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.358 -15.572 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.587 -16.577 3.457 1.00 0.00 H new ATOM 425 N LEU A 28 1.088 -14.558 0.695 1.00 0.00 N ATOM 426 CA LEU A 28 -0.129 -14.997 0.018 1.00 0.00 C ATOM 427 C LEU A 28 0.202 -15.865 -1.194 1.00 0.00 C ATOM 428 O LEU A 28 -0.635 -16.634 -1.667 1.00 0.00 O ATOM 429 CB LEU A 28 -0.964 -13.789 -0.416 1.00 0.00 C ATOM 430 CG LEU A 28 -2.124 -13.434 0.515 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.179 -14.529 0.496 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.621 -13.202 1.932 1.00 0.00 C ATOM 0 H LEU A 28 1.143 -13.551 0.850 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.708 -15.595 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.307 -12.923 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.364 -13.982 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.580 -12.511 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.996 -14.258 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.563 -14.647 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.735 -15.468 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.461 -12.951 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.138 -14.107 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.903 -12.382 1.934 1.00 0.00 H new ATOM 444 N GLY A 29 1.431 -15.739 -1.690 1.00 0.00 N ATOM 445 CA GLY A 29 1.851 -16.520 -2.837 1.00 0.00 C ATOM 446 C GLY A 29 2.126 -15.663 -4.057 1.00 0.00 C ATOM 447 O GLY A 29 1.685 -15.982 -5.161 1.00 0.00 O ATOM 0 H GLY A 29 2.142 -15.110 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.750 -17.080 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.078 -17.250 -3.077 1.00 0.00 H new ATOM 451 N ILE A 30 2.864 -14.576 -3.857 1.00 0.00 N ATOM 452 CA ILE A 30 3.208 -13.673 -4.947 1.00 0.00 C ATOM 453 C ILE A 30 3.998 -12.474 -4.440 1.00 0.00 C ATOM 454 O ILE A 30 3.546 -11.740 -3.561 1.00 0.00 O ATOM 455 CB ILE A 30 1.955 -13.182 -5.698 1.00 0.00 C ATOM 456 CG1 ILE A 30 2.315 -12.081 -6.702 1.00 0.00 C ATOM 457 CG2 ILE A 30 0.904 -12.689 -4.714 1.00 0.00 C ATOM 458 CD1 ILE A 30 1.193 -11.747 -7.660 1.00 0.00 C ATOM 0 H ILE A 30 3.235 -14.300 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 30 3.828 -14.241 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 30 1.540 -14.022 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.596 -11.180 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.189 -12.393 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.026 -12.346 -5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.621 -13.503 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.312 -11.865 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.518 -10.961 -8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.927 -12.636 -8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.325 -11.404 -7.098 1.00 0.00 H new ATOM 470 N ASP A 31 5.173 -12.281 -5.017 1.00 0.00 N ATOM 471 CA ASP A 31 6.040 -11.172 -4.649 1.00 0.00 C ATOM 472 C ASP A 31 5.383 -9.855 -5.040 1.00 0.00 C ATOM 473 O ASP A 31 4.453 -9.840 -5.843 1.00 0.00 O ATOM 474 CB ASP A 31 7.413 -11.307 -5.333 1.00 0.00 C ATOM 475 CG ASP A 31 7.829 -12.752 -5.542 1.00 0.00 C ATOM 476 OD1 ASP A 31 7.709 -13.548 -4.588 1.00 0.00 O ATOM 477 OD2 ASP A 31 8.277 -13.085 -6.659 1.00 0.00 O ATOM 0 H ASP A 31 5.551 -12.883 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 31 6.193 -11.189 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.385 -10.799 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.166 -10.801 -4.728 1.00 0.00 H new ATOM 482 N ALA A 32 5.857 -8.755 -4.471 1.00 0.00 N ATOM 483 CA ALA A 32 5.308 -7.450 -4.769 1.00 0.00 C ATOM 484 C ALA A 32 6.356 -6.386 -4.527 1.00 0.00 C ATOM 485 O ALA A 32 7.149 -6.485 -3.591 1.00 0.00 O ATOM 486 CB ALA A 32 4.071 -7.194 -3.931 1.00 0.00 C ATOM 0 H ALA A 32 6.624 -8.746 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 32 5.015 -7.416 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.670 -6.208 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.320 -7.953 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.333 -7.236 -2.874 1.00 0.00 H new ATOM 492 N GLU A 33 6.366 -5.372 -5.372 1.00 0.00 N ATOM 493 CA GLU A 33 7.335 -4.304 -5.233 1.00 0.00 C ATOM 494 C GLU A 33 6.674 -3.066 -4.653 1.00 0.00 C ATOM 495 O GLU A 33 5.801 -2.464 -5.279 1.00 0.00 O ATOM 496 CB GLU A 33 7.980 -3.977 -6.580 1.00 0.00 C ATOM 497 CG GLU A 33 6.975 -3.710 -7.689 1.00 0.00 C ATOM 498 CD GLU A 33 6.836 -4.880 -8.644 1.00 0.00 C ATOM 499 OE1 GLU A 33 6.643 -6.017 -8.166 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.921 -4.657 -9.870 1.00 0.00 O ATOM 0 H GLU A 33 5.720 -5.266 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 33 8.117 -4.639 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.620 -3.103 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.623 -4.806 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.003 -3.488 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.281 -2.825 -8.247 1.00 0.00 H new ATOM 507 N PHE A 34 7.083 -2.695 -3.451 1.00 0.00 N ATOM 508 CA PHE A 34 6.515 -1.535 -2.788 1.00 0.00 C ATOM 509 C PHE A 34 7.388 -0.307 -2.972 1.00 0.00 C ATOM 510 O PHE A 34 8.476 -0.205 -2.406 1.00 0.00 O ATOM 511 CB PHE A 34 6.303 -1.830 -1.306 1.00 0.00 C ATOM 512 CG PHE A 34 5.409 -3.013 -1.074 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.853 -4.297 -1.349 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.122 -2.841 -0.594 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.029 -5.386 -1.148 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.295 -3.927 -0.390 1.00 0.00 C ATOM 517 CZ PHE A 34 3.748 -5.200 -0.668 1.00 0.00 C ATOM 0 H PHE A 34 7.804 -3.179 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 34 5.550 -1.321 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.269 -2.011 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.872 -0.953 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.854 -4.447 -1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.761 -1.846 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.386 -6.382 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.294 -3.780 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.101 -6.050 -0.510 1.00 0.00 H new ATOM 527 N GLU A 35 6.889 0.625 -3.771 1.00 0.00 N ATOM 528 CA GLU A 35 7.600 1.863 -4.047 1.00 0.00 C ATOM 529 C GLU A 35 6.897 3.043 -3.390 1.00 0.00 C ATOM 530 O GLU A 35 5.768 3.387 -3.748 1.00 0.00 O ATOM 531 CB GLU A 35 7.705 2.088 -5.557 1.00 0.00 C ATOM 532 CG GLU A 35 8.711 3.159 -5.945 1.00 0.00 C ATOM 533 CD GLU A 35 9.317 2.919 -7.313 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.983 1.877 -7.494 1.00 0.00 O ATOM 535 OE2 GLU A 35 9.126 3.772 -8.206 1.00 0.00 O ATOM 0 H GLU A 35 5.988 0.545 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 35 8.604 1.783 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.983 1.150 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.724 2.366 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.222 4.133 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.506 3.193 -5.200 1.00 0.00 H new ATOM 542 N LYS A 36 7.569 3.661 -2.427 1.00 0.00 N ATOM 543 CA LYS A 36 7.006 4.805 -1.722 1.00 0.00 C ATOM 544 C LYS A 36 7.306 6.092 -2.481 1.00 0.00 C ATOM 545 O LYS A 36 8.411 6.279 -2.991 1.00 0.00 O ATOM 546 CB LYS A 36 7.566 4.894 -0.300 1.00 0.00 C ATOM 547 CG LYS A 36 7.888 3.543 0.321 1.00 0.00 C ATOM 548 CD LYS A 36 9.385 3.275 0.328 1.00 0.00 C ATOM 549 CE LYS A 36 9.685 1.786 0.391 1.00 0.00 C ATOM 550 NZ LYS A 36 9.955 1.331 1.784 1.00 0.00 N ATOM 0 H LYS A 36 8.502 3.390 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 36 5.926 4.671 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.471 5.502 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.844 5.411 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.507 3.510 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.379 2.755 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.836 3.700 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.841 3.775 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.841 1.228 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.547 1.563 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.155 0.310 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.776 1.844 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.123 1.520 2.378 1.00 0.00 H new ATOM 564 N ILE A 37 6.320 6.976 -2.555 1.00 0.00 N ATOM 565 CA ILE A 37 6.487 8.243 -3.254 1.00 0.00 C ATOM 566 C ILE A 37 6.581 9.387 -2.246 1.00 0.00 C ATOM 567 O ILE A 37 6.464 9.168 -1.041 1.00 0.00 O ATOM 568 CB ILE A 37 5.322 8.497 -4.259 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.225 9.353 -3.633 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.734 7.178 -4.747 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.653 8.746 -2.380 1.00 0.00 C ATOM 0 H ILE A 37 5.398 6.840 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 37 7.413 8.194 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 37 5.736 9.038 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.628 10.339 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.425 9.497 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.923 7.378 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.509 6.597 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.349 6.615 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.878 9.400 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.223 7.772 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.444 8.627 -1.640 1.00 0.00 H new ATOM 583 N LYS A 38 6.781 10.604 -2.735 1.00 0.00 N ATOM 584 CA LYS A 38 6.870 11.761 -1.854 1.00 0.00 C ATOM 585 C LYS A 38 6.530 13.042 -2.604 1.00 0.00 C ATOM 586 O LYS A 38 7.408 13.836 -2.938 1.00 0.00 O ATOM 587 CB LYS A 38 8.265 11.854 -1.237 1.00 0.00 C ATOM 588 CG LYS A 38 9.368 12.098 -2.255 1.00 0.00 C ATOM 589 CD LYS A 38 10.681 11.472 -1.815 1.00 0.00 C ATOM 590 CE LYS A 38 11.843 11.964 -2.662 1.00 0.00 C ATOM 591 NZ LYS A 38 11.871 11.312 -4.001 1.00 0.00 N ATOM 0 H LYS A 38 6.884 10.815 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 38 6.143 11.636 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.275 12.660 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.477 10.930 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.072 11.685 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.504 13.170 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.866 11.710 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.610 10.387 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.770 13.044 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.780 11.766 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.678 11.675 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.967 10.283 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.988 11.522 -4.508 1.00 0.00 H new ATOM 605 N GLU A 39 5.235 13.225 -2.853 1.00 0.00 N ATOM 606 CA GLU A 39 4.713 14.400 -3.560 1.00 0.00 C ATOM 607 C GLU A 39 3.355 14.075 -4.171 1.00 0.00 C ATOM 608 O GLU A 39 3.204 13.054 -4.841 1.00 0.00 O ATOM 609 CB GLU A 39 5.667 14.865 -4.668 1.00 0.00 C ATOM 610 CG GLU A 39 6.114 13.751 -5.602 1.00 0.00 C ATOM 611 CD GLU A 39 6.952 14.260 -6.757 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.417 15.025 -7.589 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.145 13.897 -6.832 1.00 0.00 O ATOM 0 H GLU A 39 4.513 12.562 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 39 4.615 15.206 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.177 15.643 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.547 15.318 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.688 13.017 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.237 13.236 -5.994 1.00 0.00 H new ATOM 620 N MET A 40 2.366 14.940 -3.944 1.00 0.00 N ATOM 621 CA MET A 40 1.029 14.714 -4.482 1.00 0.00 C ATOM 622 C MET A 40 1.086 14.455 -5.979 1.00 0.00 C ATOM 623 O MET A 40 0.215 13.784 -6.527 1.00 0.00 O ATOM 624 CB MET A 40 0.121 15.908 -4.189 1.00 0.00 C ATOM 625 CG MET A 40 0.630 17.217 -4.772 1.00 0.00 C ATOM 626 SD MET A 40 0.440 18.606 -3.637 1.00 0.00 S ATOM 627 CE MET A 40 0.819 19.981 -4.720 1.00 0.00 C ATOM 0 H MET A 40 2.466 15.795 -3.397 1.00 0.00 H new ATOM 0 HA MET A 40 0.615 13.832 -3.994 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.873 15.704 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.015 16.017 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.683 17.108 -5.034 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.093 17.432 -5.696 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.744 20.915 -4.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.832 19.870 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.112 19.996 -5.550 1.00 0.00 H new ATOM 637 N ASP A 41 2.129 14.960 -6.639 1.00 0.00 N ATOM 638 CA ASP A 41 2.285 14.736 -8.068 1.00 0.00 C ATOM 639 C ASP A 41 2.166 13.244 -8.342 1.00 0.00 C ATOM 640 O ASP A 41 1.544 12.819 -9.314 1.00 0.00 O ATOM 641 CB ASP A 41 3.639 15.262 -8.553 1.00 0.00 C ATOM 642 CG ASP A 41 3.501 16.473 -9.454 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.571 16.489 -10.288 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.322 17.405 -9.327 1.00 0.00 O ATOM 0 H ASP A 41 2.867 15.519 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 41 1.507 15.274 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.254 15.522 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.161 14.471 -9.090 1.00 0.00 H new ATOM 649 N GLN A 42 2.747 12.458 -7.442 1.00 0.00 N ATOM 650 CA GLN A 42 2.695 11.009 -7.529 1.00 0.00 C ATOM 651 C GLN A 42 1.435 10.485 -6.842 1.00 0.00 C ATOM 652 O GLN A 42 0.803 9.540 -7.315 1.00 0.00 O ATOM 653 CB GLN A 42 3.938 10.391 -6.885 1.00 0.00 C ATOM 654 CG GLN A 42 5.241 10.819 -7.542 1.00 0.00 C ATOM 655 CD GLN A 42 5.649 9.902 -8.678 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.716 10.320 -9.835 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.925 8.645 -8.354 1.00 0.00 N ATOM 0 H GLN A 42 3.264 12.809 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 42 2.669 10.725 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.965 10.666 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.858 9.305 -6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.136 11.836 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.032 10.838 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.856 8.342 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.206 7.982 -9.076 1.00 0.00 H new ATOM 666 N ILE A 43 1.081 11.108 -5.716 1.00 0.00 N ATOM 667 CA ILE A 43 -0.098 10.703 -4.952 1.00 0.00 C ATOM 668 C ILE A 43 -1.371 10.835 -5.776 1.00 0.00 C ATOM 669 O ILE A 43 -2.119 9.873 -5.947 1.00 0.00 O ATOM 670 CB ILE A 43 -0.255 11.517 -3.646 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.097 11.703 -2.949 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.229 10.819 -2.709 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.011 12.500 -1.665 1.00 0.00 C ATOM 0 H ILE A 43 1.594 11.893 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 43 0.057 9.655 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.646 12.501 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.522 10.723 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.783 12.203 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.332 11.400 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.201 10.731 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.853 9.825 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.005 12.592 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.616 13.493 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.351 11.990 -0.964 1.00 0.00 H new ATOM 685 N LEU A 44 -1.600 12.028 -6.289 1.00 0.00 N ATOM 686 CA LEU A 44 -2.782 12.300 -7.102 1.00 0.00 C ATOM 687 C LEU A 44 -2.778 11.449 -8.370 1.00 0.00 C ATOM 688 O LEU A 44 -3.830 11.011 -8.835 1.00 0.00 O ATOM 689 CB LEU A 44 -2.874 13.801 -7.433 1.00 0.00 C ATOM 690 CG LEU A 44 -2.430 14.227 -8.841 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.129 15.513 -9.248 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.922 14.405 -8.896 1.00 0.00 C ATOM 0 H LEU A 44 -0.984 12.831 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.667 12.028 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.907 14.118 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.272 14.347 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.709 13.441 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.805 15.803 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.208 15.357 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.877 16.304 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.628 14.707 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.620 15.173 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.435 13.463 -8.643 1.00 0.00 H new ATOM 704 N GLU A 45 -1.590 11.206 -8.918 1.00 0.00 N ATOM 705 CA GLU A 45 -1.461 10.393 -10.122 1.00 0.00 C ATOM 706 C GLU A 45 -2.071 9.016 -9.896 1.00 0.00 C ATOM 707 O GLU A 45 -2.499 8.348 -10.837 1.00 0.00 O ATOM 708 CB GLU A 45 0.009 10.251 -10.517 1.00 0.00 C ATOM 709 CG GLU A 45 0.217 9.950 -11.992 1.00 0.00 C ATOM 710 CD GLU A 45 0.755 8.554 -12.233 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.763 8.187 -11.593 1.00 0.00 O ATOM 712 OE2 GLU A 45 0.169 7.826 -13.062 1.00 0.00 O ATOM 0 H GLU A 45 -0.707 11.559 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.996 10.890 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.535 11.172 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.460 9.455 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.730 10.066 -12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.909 10.679 -12.414 1.00 0.00 H new ATOM 719 N ALA A 46 -2.119 8.607 -8.633 1.00 0.00 N ATOM 720 CA ALA A 46 -2.689 7.326 -8.264 1.00 0.00 C ATOM 721 C ALA A 46 -4.198 7.374 -8.416 1.00 0.00 C ATOM 722 O ALA A 46 -4.828 6.403 -8.835 1.00 0.00 O ATOM 723 CB ALA A 46 -2.309 6.975 -6.832 1.00 0.00 C ATOM 0 H ALA A 46 -1.766 9.152 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.293 6.555 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.743 6.011 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.224 6.920 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.688 7.742 -6.157 1.00 0.00 H new ATOM 729 N GLY A 47 -4.772 8.524 -8.079 1.00 0.00 N ATOM 730 CA GLY A 47 -6.203 8.693 -8.189 1.00 0.00 C ATOM 731 C GLY A 47 -6.858 9.018 -6.860 1.00 0.00 C ATOM 732 O GLY A 47 -8.010 9.450 -6.822 1.00 0.00 O ATOM 0 H GLY A 47 -4.269 9.340 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.417 9.491 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.643 7.781 -8.593 1.00 0.00 H new ATOM 736 N LEU A 48 -6.129 8.811 -5.766 1.00 0.00 N ATOM 737 CA LEU A 48 -6.666 9.089 -4.439 1.00 0.00 C ATOM 738 C LEU A 48 -6.598 10.582 -4.114 1.00 0.00 C ATOM 739 O LEU A 48 -5.852 11.334 -4.740 1.00 0.00 O ATOM 740 CB LEU A 48 -5.941 8.258 -3.360 1.00 0.00 C ATOM 741 CG LEU A 48 -4.415 8.443 -3.208 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.664 7.225 -3.722 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.906 9.698 -3.900 1.00 0.00 C ATOM 0 H LEU A 48 -5.173 8.455 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.716 8.795 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.402 8.483 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.131 7.205 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.224 8.557 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.592 7.382 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.967 6.345 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.894 7.074 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.828 9.778 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.132 9.643 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.393 10.573 -3.470 1.00 0.00 H new ATOM 755 N THR A 49 -7.389 11.001 -3.132 1.00 0.00 N ATOM 756 CA THR A 49 -7.426 12.399 -2.720 1.00 0.00 C ATOM 757 C THR A 49 -6.812 12.577 -1.337 1.00 0.00 C ATOM 758 O THR A 49 -6.330 13.656 -0.992 1.00 0.00 O ATOM 759 CB THR A 49 -8.863 12.949 -2.710 1.00 0.00 C ATOM 760 OG1 THR A 49 -8.872 14.291 -2.208 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.770 12.078 -1.855 1.00 0.00 C ATOM 0 H THR A 49 -8.014 10.391 -2.606 1.00 0.00 H new ATOM 0 HA THR A 49 -6.842 12.959 -3.450 1.00 0.00 H new ATOM 0 HB THR A 49 -9.237 12.942 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.790 14.634 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.780 12.487 -1.863 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.785 11.065 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.395 12.057 -0.832 1.00 0.00 H new ATOM 769 N ALA A 50 -6.827 11.506 -0.556 1.00 0.00 N ATOM 770 CA ALA A 50 -6.264 11.530 0.787 1.00 0.00 C ATOM 771 C ALA A 50 -4.750 11.379 0.731 1.00 0.00 C ATOM 772 O ALA A 50 -4.172 11.275 -0.350 1.00 0.00 O ATOM 773 CB ALA A 50 -6.877 10.428 1.640 1.00 0.00 C ATOM 0 H ALA A 50 -7.224 10.607 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.499 12.491 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.446 10.460 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.955 10.575 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.670 9.459 1.186 1.00 0.00 H new ATOM 779 N LEU A 51 -4.107 11.379 1.892 1.00 0.00 N ATOM 780 CA LEU A 51 -2.657 11.252 1.944 1.00 0.00 C ATOM 781 C LEU A 51 -2.215 9.789 1.988 1.00 0.00 C ATOM 782 O LEU A 51 -1.487 9.339 1.105 1.00 0.00 O ATOM 783 CB LEU A 51 -2.088 12.021 3.140 1.00 0.00 C ATOM 784 CG LEU A 51 -1.207 13.217 2.779 1.00 0.00 C ATOM 785 CD1 LEU A 51 -0.733 13.931 4.036 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.021 12.770 1.939 1.00 0.00 C ATOM 0 H LEU A 51 -4.561 11.465 2.801 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.260 11.687 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.917 12.372 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.506 11.332 3.752 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.801 13.917 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.107 14.779 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.596 14.285 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.156 13.240 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.595 13.634 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.573 12.050 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.380 12.305 1.021 1.00 0.00 H new ATOM 798 N PRO A 52 -2.630 9.026 3.016 1.00 0.00 N ATOM 799 CA PRO A 52 -2.246 7.611 3.161 1.00 0.00 C ATOM 800 C PRO A 52 -2.823 6.699 2.071 1.00 0.00 C ATOM 801 O PRO A 52 -3.387 5.649 2.375 1.00 0.00 O ATOM 802 CB PRO A 52 -2.818 7.212 4.530 1.00 0.00 C ATOM 803 CG PRO A 52 -3.167 8.491 5.213 1.00 0.00 C ATOM 804 CD PRO A 52 -3.483 9.475 4.127 1.00 0.00 C ATOM 0 HA PRO A 52 -1.166 7.497 3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.697 6.577 4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.088 6.646 5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.021 8.357 5.877 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.338 8.843 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.539 9.455 3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.250 10.497 4.428 1.00 0.00 H new ATOM 812 N GLY A 53 -2.668 7.087 0.806 1.00 0.00 N ATOM 813 CA GLY A 53 -3.173 6.276 -0.287 1.00 0.00 C ATOM 814 C GLY A 53 -2.320 5.050 -0.544 1.00 0.00 C ATOM 815 O GLY A 53 -1.102 5.083 -0.366 1.00 0.00 O ATOM 0 H GLY A 53 -2.202 7.948 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.193 5.964 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.217 6.880 -1.193 1.00 0.00 H new ATOM 819 N LEU A 54 -2.961 3.965 -0.964 1.00 0.00 N ATOM 820 CA LEU A 54 -2.260 2.722 -1.249 1.00 0.00 C ATOM 821 C LEU A 54 -2.781 2.115 -2.543 1.00 0.00 C ATOM 822 O LEU A 54 -3.862 1.526 -2.569 1.00 0.00 O ATOM 823 CB LEU A 54 -2.443 1.737 -0.087 1.00 0.00 C ATOM 824 CG LEU A 54 -1.807 0.354 -0.272 1.00 0.00 C ATOM 825 CD1 LEU A 54 -2.645 -0.505 -1.206 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.385 0.480 -0.795 1.00 0.00 C ATOM 0 H LEU A 54 -3.969 3.923 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.197 2.933 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.028 2.188 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.511 1.604 0.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.772 -0.134 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.175 -1.481 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.643 -0.631 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.719 -0.019 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.047 -0.513 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.395 0.994 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.214 1.050 -0.085 1.00 0.00 H new ATOM 838 N ALA A 55 -2.022 2.271 -3.623 1.00 0.00 N ATOM 839 CA ALA A 55 -2.440 1.740 -4.911 1.00 0.00 C ATOM 840 C ALA A 55 -1.781 0.398 -5.197 1.00 0.00 C ATOM 841 O ALA A 55 -0.557 0.282 -5.190 1.00 0.00 O ATOM 842 CB ALA A 55 -2.118 2.727 -6.021 1.00 0.00 C ATOM 0 H ALA A 55 -1.124 2.756 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.518 1.586 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.437 2.315 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.642 3.665 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.044 2.910 -6.045 1.00 0.00 H new ATOM 848 N VAL A 56 -2.599 -0.617 -5.449 1.00 0.00 N ATOM 849 CA VAL A 56 -2.091 -1.950 -5.736 1.00 0.00 C ATOM 850 C VAL A 56 -2.514 -2.421 -7.115 1.00 0.00 C ATOM 851 O VAL A 56 -3.639 -2.183 -7.552 1.00 0.00 O ATOM 852 CB VAL A 56 -2.558 -2.978 -4.691 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.544 -3.065 -3.568 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.940 -2.626 -4.156 1.00 0.00 C ATOM 0 H VAL A 56 -3.616 -0.541 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.004 -1.877 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.634 -3.954 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.879 -3.794 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.580 -3.374 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.443 -2.089 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.245 -3.369 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.909 -1.642 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.656 -2.614 -4.978 1.00 0.00 H new ATOM 864 N ASP A 57 -1.596 -3.093 -7.796 1.00 0.00 N ATOM 865 CA ASP A 57 -1.855 -3.606 -9.139 1.00 0.00 C ATOM 866 C ASP A 57 -2.468 -2.527 -10.031 1.00 0.00 C ATOM 867 O ASP A 57 -3.178 -2.832 -10.990 1.00 0.00 O ATOM 868 CB ASP A 57 -2.785 -4.818 -9.073 1.00 0.00 C ATOM 869 CG ASP A 57 -2.938 -5.502 -10.418 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.066 -5.299 -11.289 1.00 0.00 O ATOM 871 OD2 ASP A 57 -3.929 -6.240 -10.599 1.00 0.00 O ATOM 0 H ASP A 57 -0.662 -3.297 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.902 -3.909 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.396 -5.532 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.765 -4.502 -8.715 1.00 0.00 H new ATOM 876 N GLY A 58 -2.195 -1.265 -9.707 1.00 0.00 N ATOM 877 CA GLY A 58 -2.732 -0.165 -10.487 1.00 0.00 C ATOM 878 C GLY A 58 -4.154 0.181 -10.095 1.00 0.00 C ATOM 879 O GLY A 58 -4.915 0.720 -10.899 1.00 0.00 O ATOM 0 H GLY A 58 -1.612 -0.986 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.098 0.712 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.703 -0.425 -11.545 1.00 0.00 H new ATOM 883 N GLU A 59 -4.513 -0.128 -8.854 1.00 0.00 N ATOM 884 CA GLU A 59 -5.851 0.150 -8.350 1.00 0.00 C ATOM 885 C GLU A 59 -5.789 0.651 -6.913 1.00 0.00 C ATOM 886 O GLU A 59 -5.574 -0.124 -5.983 1.00 0.00 O ATOM 887 CB GLU A 59 -6.722 -1.104 -8.430 1.00 0.00 C ATOM 888 CG GLU A 59 -7.018 -1.550 -9.853 1.00 0.00 C ATOM 889 CD GLU A 59 -7.721 -2.892 -9.909 1.00 0.00 C ATOM 890 OE1 GLU A 59 -7.597 -3.668 -8.939 1.00 0.00 O ATOM 891 OE2 GLU A 59 -8.394 -3.168 -10.925 1.00 0.00 O ATOM 0 H GLU A 59 -3.893 -0.573 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.295 0.928 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.225 -1.916 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.663 -0.916 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.637 -0.799 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.085 -1.609 -10.413 1.00 0.00 H new ATOM 898 N LEU A 60 -5.981 1.954 -6.739 1.00 0.00 N ATOM 899 CA LEU A 60 -5.946 2.554 -5.409 1.00 0.00 C ATOM 900 C LEU A 60 -7.334 2.560 -4.785 1.00 0.00 C ATOM 901 O LEU A 60 -8.305 3.005 -5.399 1.00 0.00 O ATOM 902 CB LEU A 60 -5.370 3.985 -5.427 1.00 0.00 C ATOM 903 CG LEU A 60 -5.284 4.690 -6.790 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.306 3.981 -7.717 1.00 0.00 C ATOM 905 CD2 LEU A 60 -6.660 4.806 -7.432 1.00 0.00 C ATOM 0 H LEU A 60 -6.162 2.612 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.281 1.939 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.978 4.602 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.368 3.951 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.907 5.698 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.267 4.503 -8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.314 3.977 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.636 2.955 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.571 5.309 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.078 3.810 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.318 5.383 -6.781 1.00 0.00 H new ATOM 917 N LYS A 61 -7.424 2.052 -3.561 1.00 0.00 N ATOM 918 CA LYS A 61 -8.700 1.992 -2.859 1.00 0.00 C ATOM 919 C LYS A 61 -8.537 2.179 -1.350 1.00 0.00 C ATOM 920 O LYS A 61 -9.516 2.101 -0.608 1.00 0.00 O ATOM 921 CB LYS A 61 -9.391 0.656 -3.141 1.00 0.00 C ATOM 922 CG LYS A 61 -9.904 0.527 -4.565 1.00 0.00 C ATOM 923 CD LYS A 61 -10.771 -0.710 -4.735 1.00 0.00 C ATOM 924 CE LYS A 61 -12.249 -0.377 -4.600 1.00 0.00 C ATOM 925 NZ LYS A 61 -13.104 -1.331 -5.359 1.00 0.00 N ATOM 0 H LYS A 61 -6.633 1.678 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.314 2.813 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.691 -0.155 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.226 0.535 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.479 1.415 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.061 0.479 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.585 -1.155 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.495 -1.455 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.531 -0.395 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.427 0.636 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.104 -1.070 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.853 -1.295 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.953 -2.295 -4.999 1.00 0.00 H new ATOM 939 N ILE A 62 -7.312 2.431 -0.891 1.00 0.00 N ATOM 940 CA ILE A 62 -7.074 2.625 0.536 1.00 0.00 C ATOM 941 C ILE A 62 -6.300 3.912 0.790 1.00 0.00 C ATOM 942 O ILE A 62 -5.089 3.971 0.581 1.00 0.00 O ATOM 943 CB ILE A 62 -6.300 1.442 1.147 1.00 0.00 C ATOM 944 CG1 ILE A 62 -6.956 0.116 0.757 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.226 1.580 2.661 1.00 0.00 C ATOM 946 CD1 ILE A 62 -8.316 -0.099 1.387 1.00 0.00 C ATOM 0 H ILE A 62 -6.481 2.505 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.052 2.690 1.014 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.284 1.451 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.057 0.076 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.298 -0.704 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.676 0.736 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.715 2.508 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.234 1.595 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.719 -1.059 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.219 -0.092 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.991 0.700 1.078 1.00 0.00 H new ATOM 958 N MET A 63 -7.007 4.941 1.245 1.00 0.00 N ATOM 959 CA MET A 63 -6.379 6.226 1.525 1.00 0.00 C ATOM 960 C MET A 63 -7.041 6.930 2.704 1.00 0.00 C ATOM 961 O MET A 63 -8.155 6.590 3.102 1.00 0.00 O ATOM 962 CB MET A 63 -6.410 7.115 0.282 1.00 0.00 C ATOM 963 CG MET A 63 -7.760 7.760 0.020 1.00 0.00 C ATOM 964 SD MET A 63 -9.073 6.555 -0.254 1.00 0.00 S ATOM 965 CE MET A 63 -9.671 7.064 -1.863 1.00 0.00 C ATOM 0 H MET A 63 -8.010 4.910 1.427 1.00 0.00 H new ATOM 0 HA MET A 63 -5.341 6.036 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.659 7.898 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.129 6.519 -0.586 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.025 8.392 0.867 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.683 8.410 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.488 6.412 -2.171 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.028 8.092 -1.810 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.861 6.998 -2.590 1.00 0.00 H new ATOM 975 N GLY A 64 -6.335 7.908 3.261 1.00 0.00 N ATOM 976 CA GLY A 64 -6.855 8.645 4.400 1.00 0.00 C ATOM 977 C GLY A 64 -6.657 7.898 5.707 1.00 0.00 C ATOM 978 O GLY A 64 -6.911 8.435 6.784 1.00 0.00 O ATOM 0 H GLY A 64 -5.412 8.204 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.360 9.615 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.917 8.838 4.251 1.00 0.00 H new ATOM 982 N ARG A 65 -6.200 6.653 5.600 1.00 0.00 N ATOM 983 CA ARG A 65 -5.957 5.799 6.760 1.00 0.00 C ATOM 984 C ARG A 65 -5.671 4.376 6.295 1.00 0.00 C ATOM 985 O ARG A 65 -6.584 3.651 5.899 1.00 0.00 O ATOM 986 CB ARG A 65 -7.164 5.809 7.709 1.00 0.00 C ATOM 987 CG ARG A 65 -7.055 4.809 8.849 1.00 0.00 C ATOM 988 CD ARG A 65 -7.817 3.529 8.544 1.00 0.00 C ATOM 989 NE ARG A 65 -8.551 3.038 9.707 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.560 2.170 9.637 1.00 0.00 C ATOM 991 NH1 ARG A 65 -9.954 1.696 8.462 1.00 0.00 N ATOM 992 NH2 ARG A 65 -10.174 1.776 10.743 1.00 0.00 N ATOM 0 H ARG A 65 -5.988 6.208 4.707 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.094 6.185 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.279 6.810 8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.067 5.596 7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.006 4.575 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.444 5.256 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.514 3.708 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.119 2.763 8.206 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.275 3.380 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.484 1.996 7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.727 1.032 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.875 2.137 11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.946 1.112 10.689 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.403 3.984 6.325 1.00 0.00 N ATOM 1007 CA VAL A 66 -4.016 2.653 5.886 1.00 0.00 C ATOM 1008 C VAL A 66 -4.553 1.577 6.829 1.00 0.00 C ATOM 1009 O VAL A 66 -4.758 1.825 8.018 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.481 2.528 5.749 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.839 2.007 7.031 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -2.127 1.639 4.568 1.00 0.00 C ATOM 0 H VAL A 66 -3.630 4.567 6.647 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.460 2.498 4.903 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.081 3.526 5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.760 1.933 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.055 2.693 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.243 1.022 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.043 1.560 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.552 0.647 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.531 2.072 3.653 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.782 0.385 6.289 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.297 -0.728 7.079 1.00 0.00 C ATOM 1024 C ALA A 67 -4.189 -1.395 7.886 1.00 0.00 C ATOM 1025 O ALA A 67 -3.028 -0.992 7.818 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.980 -1.742 6.174 1.00 0.00 C ATOM 0 H ALA A 67 -4.619 0.164 5.307 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.029 -0.332 7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.360 -2.568 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.807 -1.263 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.262 -2.122 5.447 1.00 0.00 H new ATOM 1032 N SER A 68 -4.557 -2.420 8.650 1.00 0.00 N ATOM 1033 CA SER A 68 -3.594 -3.146 9.473 1.00 0.00 C ATOM 1034 C SER A 68 -3.250 -4.494 8.848 1.00 0.00 C ATOM 1035 O SER A 68 -3.617 -4.773 7.707 1.00 0.00 O ATOM 1036 CB SER A 68 -4.152 -3.353 10.882 1.00 0.00 C ATOM 1037 OG SER A 68 -4.888 -2.221 11.312 1.00 0.00 O ATOM 0 H SER A 68 -5.514 -2.766 8.716 1.00 0.00 H new ATOM 0 HA SER A 68 -2.683 -2.551 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.793 -4.234 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.333 -3.543 11.576 1.00 0.00 H new ATOM 0 HG SER A 68 -5.235 -2.380 12.215 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.542 -5.326 9.605 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.144 -6.646 9.125 1.00 0.00 C ATOM 1045 C LYS A 69 -3.363 -7.539 8.905 1.00 0.00 C ATOM 1046 O LYS A 69 -3.556 -8.083 7.818 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.188 -7.306 10.121 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.506 -8.552 9.578 1.00 0.00 C ATOM 1049 CD LYS A 69 0.353 -9.222 10.638 1.00 0.00 C ATOM 1050 CE LYS A 69 0.759 -10.627 10.221 1.00 0.00 C ATOM 1051 NZ LYS A 69 2.183 -10.913 10.552 1.00 0.00 N ATOM 0 H LYS A 69 -2.232 -5.111 10.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.634 -6.518 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.426 -6.583 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.741 -7.569 11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.259 -9.254 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.113 -8.286 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.245 -8.622 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.196 -9.265 11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.117 -11.354 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.604 -10.747 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.715 -11.086 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.594 -10.098 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.236 -11.755 11.161 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.184 -7.684 9.939 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.382 -8.508 9.847 1.00 0.00 C ATOM 1067 C GLU A 70 -6.337 -7.953 8.796 1.00 0.00 C ATOM 1068 O GLU A 70 -7.090 -8.698 8.170 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.083 -8.578 11.206 1.00 0.00 C ATOM 1070 CG GLU A 70 -5.538 -9.669 12.114 1.00 0.00 C ATOM 1071 CD GLU A 70 -4.962 -9.121 13.407 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -4.389 -8.012 13.378 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -5.086 -9.802 14.446 1.00 0.00 O ATOM 0 H GLU A 70 -4.042 -7.243 10.848 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.084 -9.513 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.983 -7.615 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.148 -8.746 11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.336 -10.375 12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.765 -10.225 11.584 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.299 -6.636 8.608 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.161 -5.976 7.633 1.00 0.00 C ATOM 1082 C GLU A 71 -6.688 -6.251 6.209 1.00 0.00 C ATOM 1083 O GLU A 71 -7.472 -6.665 5.355 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.194 -4.468 7.892 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.589 -3.869 7.816 1.00 0.00 C ATOM 1086 CD GLU A 71 -8.837 -2.832 8.894 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.953 -3.220 10.076 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -8.916 -1.632 8.557 1.00 0.00 O ATOM 0 H GLU A 71 -5.680 -6.006 9.118 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.167 -6.380 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.775 -4.268 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.553 -3.969 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.731 -3.411 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.328 -4.665 7.906 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.403 -6.018 5.956 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.836 -6.241 4.631 1.00 0.00 C ATOM 1097 C ILE A 72 -4.972 -7.704 4.218 1.00 0.00 C ATOM 1098 O ILE A 72 -5.323 -8.008 3.079 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.351 -5.811 4.569 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.846 -5.822 3.120 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.484 -6.696 5.454 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.588 -7.208 2.563 1.00 0.00 C ATOM 0 H ILE A 72 -4.737 -5.676 6.649 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.400 -5.624 3.932 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.279 -4.792 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.578 -5.319 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.924 -5.243 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.446 -6.370 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.824 -6.622 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.560 -7.731 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.234 -7.127 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.833 -7.709 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.512 -7.786 2.584 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.698 -8.608 5.154 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.797 -10.038 4.886 1.00 0.00 C ATOM 1116 C LYS A 73 -6.243 -10.436 4.610 1.00 0.00 C ATOM 1117 O LYS A 73 -6.508 -11.359 3.838 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.251 -10.842 6.069 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.260 -12.344 5.839 1.00 0.00 C ATOM 1120 CD LYS A 73 -2.950 -12.823 5.236 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.032 -14.282 4.815 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.279 -15.181 5.976 1.00 0.00 N ATOM 0 H LYS A 73 -4.406 -8.376 6.103 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.200 -10.260 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.230 -10.521 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.843 -10.615 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.435 -12.857 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.084 -12.607 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.699 -12.207 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.146 -12.697 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.831 -14.405 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.103 -14.571 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.278 -16.170 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.530 -15.046 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.202 -14.956 6.399 1.00 0.00 H new