USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 300 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0189) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00761 USER MOD Single : A 5 THR OG1 : rot -82:sc= 0.111 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.258 -1.087 1.244 1.00 0.00 N ATOM 2 CA MET A 1 0.433 -1.146 -0.038 1.00 0.00 C ATOM 3 C MET A 1 1.938 -0.976 0.147 1.00 0.00 C ATOM 4 O MET A 1 2.385 -0.115 0.904 1.00 0.00 O ATOM 5 CB MET A 1 -0.102 -0.065 -0.980 1.00 0.00 C ATOM 6 CG MET A 1 0.129 -0.372 -2.451 1.00 0.00 C ATOM 7 SD MET A 1 -1.325 -1.076 -3.251 1.00 0.00 S ATOM 8 CE MET A 1 -0.884 -2.811 -3.290 1.00 0.00 C ATOM 0 H1 MET A 1 -1.280 -1.205 1.093 1.00 0.00 H new ATOM 0 H2 MET A 1 0.091 -1.847 1.862 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.078 -0.166 1.693 1.00 0.00 H new ATOM 0 HA MET A 1 0.247 -2.126 -0.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.171 0.060 -0.807 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.373 0.885 -0.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.416 0.543 -2.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.963 -1.067 -2.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.654 -3.370 -3.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.071 -2.932 -3.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.800 -3.188 -2.271 1.00 0.00 H new ATOM 18 N GLU A 2 2.713 -1.802 -0.550 1.00 0.00 N ATOM 19 CA GLU A 2 4.167 -1.742 -0.460 1.00 0.00 C ATOM 20 C GLU A 2 4.715 -0.573 -1.273 1.00 0.00 C ATOM 21 O GLU A 2 5.704 0.051 -0.892 1.00 0.00 O ATOM 22 CB GLU A 2 4.785 -3.053 -0.951 1.00 0.00 C ATOM 23 CG GLU A 2 6.196 -3.290 -0.440 1.00 0.00 C ATOM 24 CD GLU A 2 7.235 -2.495 -1.208 1.00 0.00 C ATOM 25 OE1 GLU A 2 6.904 -1.986 -2.300 1.00 0.00 O ATOM 26 OE2 GLU A 2 8.377 -2.381 -0.717 1.00 0.00 O ATOM 0 H GLU A 2 2.358 -2.520 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 2 4.435 -1.592 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.151 -3.883 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.798 -3.053 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.246 -3.022 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.431 -4.352 -0.511 1.00 0.00 H new ATOM 33 N GLN A 3 4.063 -0.284 -2.396 1.00 0.00 N ATOM 34 CA GLN A 3 4.486 0.809 -3.263 1.00 0.00 C ATOM 35 C GLN A 3 4.487 2.134 -2.509 1.00 0.00 C ATOM 36 O GLN A 3 3.982 2.223 -1.389 1.00 0.00 O ATOM 37 CB GLN A 3 3.568 0.903 -4.483 1.00 0.00 C ATOM 38 CG GLN A 3 4.315 0.937 -5.806 1.00 0.00 C ATOM 39 CD GLN A 3 3.573 1.714 -6.876 1.00 0.00 C ATOM 40 OE1 GLN A 3 2.500 1.308 -7.322 1.00 0.00 O ATOM 41 NE2 GLN A 3 4.143 2.838 -7.295 1.00 0.00 N ATOM 0 H GLN A 3 3.242 -0.791 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 3 5.503 0.602 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.887 0.052 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.956 1.801 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.297 1.384 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.480 -0.083 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.033 3.137 -6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.690 3.402 -8.014 1.00 0.00 H new ATOM 50 N SER A 4 5.057 3.162 -3.129 1.00 0.00 N ATOM 51 CA SER A 4 5.127 4.482 -2.514 1.00 0.00 C ATOM 52 C SER A 4 5.844 4.418 -1.169 1.00 0.00 C ATOM 53 O SER A 4 5.415 5.033 -0.192 1.00 0.00 O ATOM 54 CB SER A 4 3.722 5.057 -2.328 1.00 0.00 C ATOM 55 OG SER A 4 2.830 4.551 -3.306 1.00 0.00 O ATOM 0 H SER A 4 5.477 3.106 -4.057 1.00 0.00 H new ATOM 0 HA SER A 4 5.694 5.134 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.353 4.810 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.759 6.144 -2.393 1.00 0.00 H new ATOM 0 HG SER A 4 1.938 4.932 -3.164 1.00 0.00 H new ATOM 61 N THR A 5 6.941 3.667 -1.125 1.00 0.00 N ATOM 62 CA THR A 5 7.718 3.520 0.099 1.00 0.00 C ATOM 63 C THR A 5 8.063 4.878 0.698 1.00 0.00 C ATOM 64 O THR A 5 7.991 5.067 1.912 1.00 0.00 O ATOM 65 CB THR A 5 9.021 2.737 -0.154 1.00 0.00 C ATOM 66 OG1 THR A 5 9.252 2.612 -1.561 1.00 0.00 O ATOM 67 CG2 THR A 5 8.953 1.356 0.479 1.00 0.00 C ATOM 0 H THR A 5 7.311 3.151 -1.924 1.00 0.00 H new ATOM 0 HA THR A 5 7.098 2.963 0.802 1.00 0.00 H new ATOM 0 HB THR A 5 9.844 3.288 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.726 1.864 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.884 0.822 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.807 1.456 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.120 0.799 0.049 1.00 0.00 H new ATOM 75 N GLU A 6 8.437 5.822 -0.161 1.00 0.00 N ATOM 76 CA GLU A 6 8.792 7.163 0.286 1.00 0.00 C ATOM 77 C GLU A 6 7.633 7.813 1.036 1.00 0.00 C ATOM 78 O GLU A 6 7.816 8.387 2.109 1.00 0.00 O ATOM 79 CB GLU A 6 9.193 8.033 -0.907 1.00 0.00 C ATOM 80 CG GLU A 6 9.650 9.428 -0.517 1.00 0.00 C ATOM 81 CD GLU A 6 9.016 10.510 -1.371 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.893 10.302 -2.596 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.644 11.564 -0.814 1.00 0.00 O ATOM 0 H GLU A 6 8.502 5.682 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 6 9.639 7.078 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.995 7.537 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.345 8.115 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.405 9.607 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.735 9.489 -0.606 1.00 0.00 H new ATOM 90 N VAL A 7 6.437 7.717 0.462 1.00 0.00 N ATOM 91 CA VAL A 7 5.247 8.294 1.075 1.00 0.00 C ATOM 92 C VAL A 7 4.961 7.654 2.429 1.00 0.00 C ATOM 93 O VAL A 7 4.656 8.344 3.402 1.00 0.00 O ATOM 94 CB VAL A 7 4.012 8.126 0.169 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.788 8.760 0.813 1.00 0.00 C ATOM 96 CG2 VAL A 7 4.274 8.727 -1.204 1.00 0.00 C ATOM 0 H VAL A 7 6.267 7.245 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 7 5.446 9.357 1.213 1.00 0.00 H new ATOM 0 HB VAL A 7 3.816 7.061 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.925 8.632 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.591 8.280 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.969 9.823 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.392 8.600 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.495 9.789 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.123 8.223 -1.666 1.00 0.00 H new ATOM 106 N LEU A 8 5.060 6.330 2.484 1.00 0.00 N ATOM 107 CA LEU A 8 4.813 5.595 3.720 1.00 0.00 C ATOM 108 C LEU A 8 5.809 5.999 4.802 1.00 0.00 C ATOM 109 O LEU A 8 5.437 6.204 5.957 1.00 0.00 O ATOM 110 CB LEU A 8 4.899 4.089 3.467 1.00 0.00 C ATOM 111 CG LEU A 8 3.582 3.318 3.550 1.00 0.00 C ATOM 112 CD1 LEU A 8 3.006 3.395 4.955 1.00 0.00 C ATOM 113 CD2 LEU A 8 2.584 3.855 2.533 1.00 0.00 C ATOM 0 H LEU A 8 5.309 5.744 1.687 1.00 0.00 H new ATOM 0 HA LEU A 8 3.809 5.842 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.327 3.931 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.595 3.659 4.188 1.00 0.00 H new ATOM 0 HG LEU A 8 3.781 2.272 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.069 2.840 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.714 2.963 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.822 4.437 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.652 3.294 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.390 4.909 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.994 3.747 1.529 1.00 0.00 H new ATOM 125 N ALA A 9 7.077 6.112 4.419 1.00 0.00 N ATOM 126 CA ALA A 9 8.126 6.495 5.356 1.00 0.00 C ATOM 127 C ALA A 9 7.870 7.885 5.929 1.00 0.00 C ATOM 128 O ALA A 9 8.027 8.111 7.128 1.00 0.00 O ATOM 129 CB ALA A 9 9.486 6.445 4.675 1.00 0.00 C ATOM 0 H ALA A 9 7.402 5.944 3.467 1.00 0.00 H new ATOM 0 HA ALA A 9 8.119 5.783 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.260 6.733 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.678 5.432 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.495 7.133 3.830 1.00 0.00 H new ATOM 135 N ALA A 10 7.476 8.814 5.063 1.00 0.00 N ATOM 136 CA ALA A 10 7.198 10.181 5.483 1.00 0.00 C ATOM 137 C ALA A 10 6.032 10.227 6.465 1.00 0.00 C ATOM 138 O ALA A 10 6.100 10.897 7.496 1.00 0.00 O ATOM 139 CB ALA A 10 6.906 11.056 4.273 1.00 0.00 C ATOM 0 H ALA A 10 7.342 8.644 4.066 1.00 0.00 H new ATOM 0 HA ALA A 10 8.082 10.566 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.700 12.075 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.770 11.057 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.039 10.664 3.741 1.00 0.00 H new ATOM 145 N VAL A 11 4.961 9.510 6.139 1.00 0.00 N ATOM 146 CA VAL A 11 3.779 9.468 6.992 1.00 0.00 C ATOM 147 C VAL A 11 4.111 8.886 8.361 1.00 0.00 C ATOM 148 O VAL A 11 3.674 9.403 9.390 1.00 0.00 O ATOM 149 CB VAL A 11 2.653 8.636 6.351 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.428 8.611 7.253 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.302 9.185 4.977 1.00 0.00 C ATOM 0 H VAL A 11 4.888 8.950 5.290 1.00 0.00 H new ATOM 0 HA VAL A 11 3.437 10.496 7.111 1.00 0.00 H new ATOM 0 HB VAL A 11 3.006 7.612 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.643 8.019 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.692 8.168 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.070 9.629 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.505 8.585 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.968 10.218 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.181 9.146 4.334 1.00 0.00 H new ATOM 161 N ILE A 12 4.886 7.807 8.367 1.00 0.00 N ATOM 162 CA ILE A 12 5.278 7.155 9.611 1.00 0.00 C ATOM 163 C ILE A 12 6.097 8.093 10.489 1.00 0.00 C ATOM 164 O ILE A 12 5.835 8.228 11.684 1.00 0.00 O ATOM 165 CB ILE A 12 6.095 5.877 9.343 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.259 4.868 8.552 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.569 5.267 10.654 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.086 3.960 7.669 1.00 0.00 C ATOM 0 H ILE A 12 5.255 7.366 7.525 1.00 0.00 H new ATOM 0 HA ILE A 12 4.358 6.887 10.130 1.00 0.00 H new ATOM 0 HB ILE A 12 6.970 6.141 8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.684 4.259 9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.542 5.408 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.145 4.365 10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.196 5.985 11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.706 5.014 11.271 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.429 3.271 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.641 4.560 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.785 3.393 8.284 1.00 0.00 H new ATOM 180 N ALA A 13 7.090 8.742 9.889 1.00 0.00 N ATOM 181 CA ALA A 13 7.945 9.672 10.616 1.00 0.00 C ATOM 182 C ALA A 13 7.134 10.826 11.195 1.00 0.00 C ATOM 183 O ALA A 13 7.345 11.234 12.336 1.00 0.00 O ATOM 184 CB ALA A 13 9.043 10.201 9.705 1.00 0.00 C ATOM 0 H ALA A 13 7.322 8.640 8.901 1.00 0.00 H new ATOM 0 HA ALA A 13 8.404 9.133 11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.674 10.894 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.648 9.369 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.594 10.719 8.857 1.00 0.00 H new ATOM 190 N GLY A 14 6.205 11.348 10.400 1.00 0.00 N ATOM 191 CA GLY A 14 5.377 12.451 10.852 1.00 0.00 C ATOM 192 C GLY A 14 4.482 12.066 12.014 1.00 0.00 C ATOM 193 O GLY A 14 4.272 12.857 12.933 1.00 0.00 O ATOM 0 H GLY A 14 6.011 11.027 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.016 13.283 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.761 12.802 10.024 1.00 0.00 H new ATOM 197 N GLY A 15 3.952 10.847 11.973 1.00 0.00 N ATOM 198 CA GLY A 15 3.080 10.381 13.035 1.00 0.00 C ATOM 199 C GLY A 15 3.821 10.161 14.339 1.00 0.00 C ATOM 200 O GLY A 15 3.321 10.503 15.411 1.00 0.00 O ATOM 0 H GLY A 15 4.111 10.174 11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.283 11.108 13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.605 9.449 12.729 1.00 0.00 H new ATOM 204 N VAL A 16 5.017 9.587 14.249 1.00 0.00 N ATOM 205 CA VAL A 16 5.828 9.321 15.431 1.00 0.00 C ATOM 206 C VAL A 16 6.280 10.619 16.091 1.00 0.00 C ATOM 207 O VAL A 16 6.193 10.770 17.310 1.00 0.00 O ATOM 208 CB VAL A 16 7.068 8.477 15.082 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.875 8.170 16.335 1.00 0.00 C ATOM 210 CG2 VAL A 16 6.657 7.194 14.376 1.00 0.00 C ATOM 0 H VAL A 16 5.445 9.297 13.370 1.00 0.00 H new ATOM 0 HA VAL A 16 5.201 8.763 16.126 1.00 0.00 H new ATOM 0 HB VAL A 16 7.699 9.052 14.404 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.747 7.573 16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.201 9.103 16.796 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.256 7.614 17.039 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.546 6.610 14.137 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.005 6.613 15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.125 7.439 13.457 1.00 0.00 H new ATOM 220 N ILE A 17 6.762 11.553 15.278 1.00 0.00 N ATOM 221 CA ILE A 17 7.226 12.839 15.783 1.00 0.00 C ATOM 222 C ILE A 17 6.082 13.630 16.408 1.00 0.00 C ATOM 223 O ILE A 17 6.224 14.198 17.490 1.00 0.00 O ATOM 224 CB ILE A 17 7.869 13.683 14.667 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.054 12.937 14.051 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.312 15.033 15.212 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.419 13.421 12.665 1.00 0.00 C ATOM 0 H ILE A 17 6.841 11.443 14.267 1.00 0.00 H new ATOM 0 HA ILE A 17 7.976 12.626 16.545 1.00 0.00 H new ATOM 0 HB ILE A 17 7.126 13.853 13.888 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.920 13.045 14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.819 11.874 14.005 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.765 15.618 14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.448 15.567 15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.041 14.882 16.008 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.267 12.847 12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.568 13.288 11.997 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.686 14.477 12.707 1.00 0.00 H new ATOM 239 N GLY A 18 4.945 13.661 15.719 1.00 0.00 N ATOM 240 CA GLY A 18 3.791 14.383 16.222 1.00 0.00 C ATOM 241 C GLY A 18 3.267 13.804 17.521 1.00 0.00 C ATOM 242 O GLY A 18 2.925 14.543 18.445 1.00 0.00 O ATOM 0 H GLY A 18 4.803 13.199 14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.059 15.428 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.999 14.363 15.473 1.00 0.00 H new ATOM 246 N PHE A 19 3.201 12.479 17.593 1.00 0.00 N ATOM 247 CA PHE A 19 2.712 11.801 18.788 1.00 0.00 C ATOM 248 C PHE A 19 3.636 12.057 19.975 1.00 0.00 C ATOM 249 O PHE A 19 3.177 12.306 21.091 1.00 0.00 O ATOM 250 CB PHE A 19 2.593 10.297 18.535 1.00 0.00 C ATOM 251 CG PHE A 19 1.204 9.858 18.169 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.967 9.172 16.989 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.134 10.133 19.006 1.00 0.00 C ATOM 254 CE1 PHE A 19 -0.310 8.767 16.650 1.00 0.00 C ATOM 255 CE2 PHE A 19 -1.145 9.729 18.673 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.368 9.047 17.493 1.00 0.00 C ATOM 0 H PHE A 19 3.480 11.853 16.838 1.00 0.00 H new ATOM 0 HA PHE A 19 1.726 12.201 19.024 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.277 10.016 17.734 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.911 9.760 19.429 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.790 8.951 16.326 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.302 10.669 19.929 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.481 8.232 15.727 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.970 9.947 19.335 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.367 8.733 17.230 1.00 0.00 H new ATOM 266 N LEU A 20 4.939 11.994 19.727 1.00 0.00 N ATOM 267 CA LEU A 20 5.929 12.218 20.775 1.00 0.00 C ATOM 268 C LEU A 20 5.856 13.650 21.296 1.00 0.00 C ATOM 269 O LEU A 20 5.993 13.893 22.495 1.00 0.00 O ATOM 270 CB LEU A 20 7.335 11.926 20.246 1.00 0.00 C ATOM 271 CG LEU A 20 8.083 10.779 20.927 1.00 0.00 C ATOM 272 CD1 LEU A 20 8.969 10.053 19.927 1.00 0.00 C ATOM 273 CD2 LEU A 20 8.908 11.299 22.094 1.00 0.00 C ATOM 0 H LEU A 20 5.335 11.790 18.810 1.00 0.00 H new ATOM 0 HA LEU A 20 5.709 11.540 21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.262 11.704 19.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.933 12.832 20.343 1.00 0.00 H new ATOM 0 HG LEU A 20 7.350 10.071 21.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.494 9.240 20.429 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.354 9.647 19.124 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.695 10.751 19.510 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.433 10.469 22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.633 12.028 21.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.250 11.773 22.822 1.00 0.00 H new ATOM 285 N PHE A 21 5.638 14.594 20.387 1.00 0.00 N ATOM 286 CA PHE A 21 5.546 16.002 20.754 1.00 0.00 C ATOM 287 C PHE A 21 4.286 16.269 21.574 1.00 0.00 C ATOM 288 O PHE A 21 4.321 16.995 22.566 1.00 0.00 O ATOM 289 CB PHE A 21 5.547 16.880 19.501 1.00 0.00 C ATOM 290 CG PHE A 21 6.417 18.097 19.622 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.790 17.973 19.766 1.00 0.00 C ATOM 292 CD2 PHE A 21 5.863 19.367 19.593 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.594 19.092 19.878 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.662 20.489 19.704 1.00 0.00 C ATOM 295 CZ PHE A 21 8.029 20.351 19.848 1.00 0.00 C ATOM 0 H PHE A 21 5.522 14.409 19.391 1.00 0.00 H new ATOM 0 HA PHE A 21 6.415 16.250 21.363 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.883 16.286 18.651 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.525 17.194 19.286 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.237 16.990 19.791 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.795 19.481 19.482 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.663 18.981 19.989 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.218 21.473 19.678 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.655 21.227 19.937 1.00 0.00 H new ATOM 305 N ALA A 22 3.175 15.675 21.150 1.00 0.00 N ATOM 306 CA ALA A 22 1.905 15.847 21.845 1.00 0.00 C ATOM 307 C ALA A 22 1.978 15.296 23.265 1.00 0.00 C ATOM 308 O ALA A 22 1.506 15.929 24.210 1.00 0.00 O ATOM 309 CB ALA A 22 0.785 15.169 21.070 1.00 0.00 C ATOM 0 H ALA A 22 3.129 15.071 20.329 1.00 0.00 H new ATOM 0 HA ALA A 22 1.694 16.915 21.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.158 15.305 21.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.710 15.611 20.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.999 14.104 20.978 1.00 0.00 H new ATOM 315 N ILE A 23 2.570 14.116 23.407 1.00 0.00 N ATOM 316 CA ILE A 23 2.704 13.481 24.713 1.00 0.00 C ATOM 317 C ILE A 23 3.635 14.280 25.619 1.00 0.00 C ATOM 318 O ILE A 23 3.402 14.391 26.823 1.00 0.00 O ATOM 319 CB ILE A 23 3.238 12.042 24.587 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.294 11.198 23.728 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.409 11.419 25.965 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.964 9.999 23.095 1.00 0.00 C ATOM 0 H ILE A 23 2.965 13.580 22.634 1.00 0.00 H new ATOM 0 HA ILE A 23 1.708 13.452 25.154 1.00 0.00 H new ATOM 0 HB ILE A 23 4.212 12.072 24.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.463 10.856 24.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.872 11.825 22.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.787 10.402 25.860 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.116 12.011 26.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.447 11.397 26.477 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.236 9.447 22.501 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.778 10.334 22.452 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.362 9.350 23.875 1.00 0.00 H new ATOM 334 N PHE A 24 4.690 14.835 25.033 1.00 0.00 N ATOM 335 CA PHE A 24 5.656 15.625 25.787 1.00 0.00 C ATOM 336 C PHE A 24 5.027 16.923 26.285 1.00 0.00 C ATOM 337 O PHE A 24 5.273 17.352 27.413 1.00 0.00 O ATOM 338 CB PHE A 24 6.878 15.937 24.921 1.00 0.00 C ATOM 339 CG PHE A 24 8.146 16.098 25.710 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.858 17.286 25.667 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.627 15.062 26.493 1.00 0.00 C ATOM 342 CE1 PHE A 24 10.025 17.439 26.392 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.793 15.208 27.221 1.00 0.00 C ATOM 344 CZ PHE A 24 10.494 16.398 27.169 1.00 0.00 C ATOM 0 H PHE A 24 4.898 14.752 24.038 1.00 0.00 H new ATOM 0 HA PHE A 24 5.971 15.040 26.651 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.011 15.137 24.193 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.691 16.852 24.358 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.497 18.103 25.059 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.085 14.129 26.535 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.569 18.371 26.351 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.156 14.393 27.830 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.407 16.514 27.735 1.00 0.00 H new ATOM 354 N LEU A 25 4.216 17.544 25.436 1.00 0.00 N ATOM 355 CA LEU A 25 3.552 18.794 25.789 1.00 0.00 C ATOM 356 C LEU A 25 2.523 18.571 26.893 1.00 0.00 C ATOM 357 O LEU A 25 2.423 19.364 27.830 1.00 0.00 O ATOM 358 CB LEU A 25 2.873 19.398 24.558 1.00 0.00 C ATOM 359 CG LEU A 25 3.554 20.625 23.950 1.00 0.00 C ATOM 360 CD1 LEU A 25 5.016 20.330 23.651 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.828 21.067 22.688 1.00 0.00 C ATOM 0 H LEU A 25 4.002 17.203 24.499 1.00 0.00 H new ATOM 0 HA LEU A 25 4.308 19.488 26.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.805 18.627 23.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.852 19.670 24.828 1.00 0.00 H new ATOM 0 HG LEU A 25 3.509 21.438 24.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.485 21.214 23.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.529 20.062 24.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.083 19.502 22.945 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.326 21.941 22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.841 20.257 21.958 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.796 21.320 22.931 1.00 0.00 H new ATOM 373 N ILE A 26 1.764 17.487 26.777 1.00 0.00 N ATOM 374 CA ILE A 26 0.746 17.159 27.768 1.00 0.00 C ATOM 375 C ILE A 26 1.376 16.857 29.124 1.00 0.00 C ATOM 376 O ILE A 26 0.910 17.339 30.158 1.00 0.00 O ATOM 377 CB ILE A 26 -0.099 15.950 27.327 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.802 16.248 26.001 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.114 15.592 28.402 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.072 15.013 25.169 1.00 0.00 C ATOM 0 H ILE A 26 1.834 16.821 26.007 1.00 0.00 H new ATOM 0 HA ILE A 26 0.099 18.032 27.857 1.00 0.00 H new ATOM 0 HB ILE A 26 0.563 15.096 27.182 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.747 16.752 26.205 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.190 16.940 25.422 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.703 14.735 28.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.593 15.342 29.326 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.774 16.442 28.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.572 15.300 24.244 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.129 14.519 24.934 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.710 14.329 25.729 1.00 0.00 H new ATOM 392 N LEU A 27 2.437 16.059 29.112 1.00 0.00 N ATOM 393 CA LEU A 27 3.133 15.694 30.342 1.00 0.00 C ATOM 394 C LEU A 27 3.730 16.926 31.016 1.00 0.00 C ATOM 395 O LEU A 27 3.656 17.076 32.236 1.00 0.00 O ATOM 396 CB LEU A 27 4.236 14.677 30.044 1.00 0.00 C ATOM 397 CG LEU A 27 3.787 13.223 29.900 1.00 0.00 C ATOM 398 CD1 LEU A 27 4.915 12.368 29.342 1.00 0.00 C ATOM 399 CD2 LEU A 27 3.312 12.676 31.238 1.00 0.00 C ATOM 0 H LEU A 27 2.835 15.652 28.265 1.00 0.00 H new ATOM 0 HA LEU A 27 2.408 15.246 31.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.737 14.974 29.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.977 14.730 30.842 1.00 0.00 H new ATOM 0 HG LEU A 27 2.953 13.189 29.200 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.577 11.336 29.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.208 12.746 28.362 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.770 12.408 30.017 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.996 11.640 31.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.126 12.725 31.961 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.472 13.271 31.597 1.00 0.00 H new ATOM 411 N LEU A 28 4.319 17.806 30.213 1.00 0.00 N ATOM 412 CA LEU A 28 4.927 19.026 30.732 1.00 0.00 C ATOM 413 C LEU A 28 3.876 19.928 31.372 1.00 0.00 C ATOM 414 O LEU A 28 4.100 20.499 32.440 1.00 0.00 O ATOM 415 CB LEU A 28 5.646 19.778 29.610 1.00 0.00 C ATOM 416 CG LEU A 28 7.172 19.814 29.697 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.781 19.992 28.315 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.627 20.926 30.630 1.00 0.00 C ATOM 0 H LEU A 28 4.388 17.697 29.201 1.00 0.00 H new ATOM 0 HA LEU A 28 5.652 18.745 31.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.367 19.325 28.659 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.279 20.804 29.594 1.00 0.00 H new ATOM 0 HG LEU A 28 7.516 18.863 30.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.868 20.015 28.397 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.483 19.161 27.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.430 20.928 27.880 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.716 20.937 30.680 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.272 21.885 30.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.220 20.754 31.626 1.00 0.00 H new ATOM 430 N LEU A 29 2.730 20.052 30.713 1.00 0.00 N ATOM 431 CA LEU A 29 1.642 20.883 31.218 1.00 0.00 C ATOM 432 C LEU A 29 1.097 20.328 32.530 1.00 0.00 C ATOM 433 O LEU A 29 0.858 21.073 33.480 1.00 0.00 O ATOM 434 CB LEU A 29 0.519 20.972 30.183 1.00 0.00 C ATOM 435 CG LEU A 29 -0.348 22.230 30.241 1.00 0.00 C ATOM 436 CD1 LEU A 29 -1.243 22.318 29.015 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.181 22.246 31.514 1.00 0.00 C ATOM 0 H LEU A 29 2.529 19.588 29.827 1.00 0.00 H new ATOM 0 HA LEU A 29 2.037 21.882 31.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.962 20.905 29.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.128 20.103 30.303 1.00 0.00 H new ATOM 0 HG LEU A 29 0.308 23.100 30.250 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.853 23.220 29.074 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.627 22.354 28.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.892 21.443 28.975 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.792 23.149 31.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.828 21.369 31.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.521 22.232 32.381 1.00 0.00 H new ATOM 449 N VAL A 30 0.906 19.013 32.576 1.00 0.00 N ATOM 450 CA VAL A 30 0.392 18.357 33.773 1.00 0.00 C ATOM 451 C VAL A 30 1.343 18.540 34.951 1.00 0.00 C ATOM 452 O VAL A 30 0.917 18.850 36.064 1.00 0.00 O ATOM 453 CB VAL A 30 0.170 16.852 33.536 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.331 16.180 34.806 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.802 16.631 32.387 1.00 0.00 C ATOM 0 H VAL A 30 1.099 18.381 31.799 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.564 18.826 34.005 1.00 0.00 H new ATOM 0 HB VAL A 30 1.124 16.400 33.266 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.482 15.117 34.620 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.405 16.308 35.600 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.275 16.633 35.109 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.947 15.562 32.234 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.758 17.096 32.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.398 17.076 31.478 1.00 0.00 H new ATOM 465 N TYR A 31 2.633 18.347 34.698 1.00 0.00 N ATOM 466 CA TYR A 31 3.645 18.489 35.738 1.00 0.00 C ATOM 467 C TYR A 31 3.770 19.944 36.182 1.00 0.00 C ATOM 468 O TYR A 31 3.910 20.232 37.371 1.00 0.00 O ATOM 469 CB TYR A 31 4.997 17.979 35.237 1.00 0.00 C ATOM 470 CG TYR A 31 5.437 16.689 35.890 1.00 0.00 C ATOM 471 CD1 TYR A 31 5.719 16.637 37.250 1.00 0.00 C ATOM 472 CD2 TYR A 31 5.573 15.522 35.148 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.123 15.461 37.851 1.00 0.00 C ATOM 474 CE2 TYR A 31 5.975 14.341 35.742 1.00 0.00 C ATOM 475 CZ TYR A 31 6.249 14.316 37.093 1.00 0.00 C ATOM 476 OH TYR A 31 6.650 13.141 37.687 1.00 0.00 O ATOM 0 H TYR A 31 3.002 18.092 33.782 1.00 0.00 H new ATOM 0 HA TYR A 31 3.334 17.892 36.595 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.943 17.830 34.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.753 18.743 35.416 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.621 17.532 37.847 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.361 15.538 34.089 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.339 15.438 38.909 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.074 13.442 35.151 1.00 0.00 H new ATOM 0 HH TYR A 31 6.687 12.430 37.014 1.00 0.00 H new ATOM 486 N ARG A 32 3.717 20.856 35.217 1.00 0.00 N ATOM 487 CA ARG A 32 3.825 22.281 35.506 1.00 0.00 C ATOM 488 C ARG A 32 2.702 22.734 36.434 1.00 0.00 C ATOM 489 O ARG A 32 2.920 23.532 37.345 1.00 0.00 O ATOM 490 CB ARG A 32 3.788 23.091 34.209 1.00 0.00 C ATOM 491 CG ARG A 32 3.869 24.593 34.426 1.00 0.00 C ATOM 492 CD ARG A 32 5.232 25.006 34.959 1.00 0.00 C ATOM 493 NE ARG A 32 6.213 25.166 33.889 1.00 0.00 N ATOM 494 CZ ARG A 32 6.189 26.165 33.014 1.00 0.00 C ATOM 495 NH1 ARG A 32 5.238 27.087 33.081 1.00 0.00 N ATOM 496 NH2 ARG A 32 7.117 26.242 32.068 1.00 0.00 N ATOM 0 H ARG A 32 3.600 20.634 34.228 1.00 0.00 H new ATOM 0 HA ARG A 32 4.778 22.453 36.006 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.616 22.779 33.572 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.868 22.859 33.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.673 25.109 33.486 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.094 24.903 35.127 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.138 25.943 35.507 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.587 24.257 35.667 1.00 0.00 H new ATOM 0 HE ARG A 32 6.957 24.473 33.809 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.523 27.030 33.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.222 27.853 32.408 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.849 25.534 32.013 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.098 27.009 31.396 1.00 0.00 H new ATOM 510 N MET A 33 1.500 22.219 36.195 1.00 0.00 N ATOM 511 CA MET A 33 0.343 22.571 37.010 1.00 0.00 C ATOM 512 C MET A 33 0.522 22.087 38.445 1.00 0.00 C ATOM 513 O MET A 33 -0.101 22.611 39.369 1.00 0.00 O ATOM 514 CB MET A 33 -0.930 21.969 36.412 1.00 0.00 C ATOM 515 CG MET A 33 -2.115 22.921 36.422 1.00 0.00 C ATOM 516 SD MET A 33 -3.438 22.372 37.517 1.00 0.00 S ATOM 517 CE MET A 33 -4.210 21.109 36.510 1.00 0.00 C ATOM 0 H MET A 33 1.302 21.557 35.444 1.00 0.00 H new ATOM 0 HA MET A 33 0.253 23.657 37.020 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.730 21.662 35.385 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.193 21.069 36.968 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.779 23.910 36.733 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.505 23.020 35.409 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.049 20.674 37.053 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.569 21.553 35.582 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.482 20.330 36.282 1.00 0.00 H new ATOM 527 N ARG A 34 1.375 21.084 38.625 1.00 0.00 N ATOM 528 CA ARG A 34 1.634 20.529 39.948 1.00 0.00 C ATOM 529 C ARG A 34 2.379 21.534 40.823 1.00 0.00 C ATOM 530 O ARG A 34 2.200 21.567 42.040 1.00 0.00 O ATOM 531 CB ARG A 34 2.445 19.237 39.833 1.00 0.00 C ATOM 532 CG ARG A 34 2.010 18.156 40.810 1.00 0.00 C ATOM 533 CD ARG A 34 3.205 17.423 41.397 1.00 0.00 C ATOM 534 NE ARG A 34 3.608 17.976 42.687 1.00 0.00 N ATOM 535 CZ ARG A 34 2.892 17.845 43.799 1.00 0.00 C ATOM 536 NH1 ARG A 34 1.744 17.182 43.777 1.00 0.00 N ATOM 537 NH2 ARG A 34 3.325 18.377 44.934 1.00 0.00 N ATOM 0 H ARG A 34 1.899 20.639 37.871 1.00 0.00 H new ATOM 0 HA ARG A 34 0.675 20.307 40.415 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.358 18.853 38.817 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.498 19.463 39.999 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.426 18.604 41.614 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.359 17.445 40.301 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.960 16.368 41.516 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.042 17.479 40.701 1.00 0.00 H new ATOM 0 HE ARG A 34 4.487 18.491 42.737 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.409 16.771 42.906 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.196 17.083 44.632 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.208 18.887 44.954 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.775 18.276 45.787 1.00 0.00 H new ATOM 551 N LYS A 35 3.217 22.351 40.194 1.00 0.00 N ATOM 552 CA LYS A 35 3.990 23.357 40.912 1.00 0.00 C ATOM 553 C LYS A 35 3.075 24.426 41.503 1.00 0.00 C ATOM 554 O LYS A 35 3.425 25.081 42.485 1.00 0.00 O ATOM 555 CB LYS A 35 5.014 24.006 39.979 1.00 0.00 C ATOM 556 CG LYS A 35 6.406 24.105 40.577 1.00 0.00 C ATOM 557 CD LYS A 35 7.266 22.915 40.188 1.00 0.00 C ATOM 558 CE LYS A 35 8.727 23.310 40.034 1.00 0.00 C ATOM 559 NZ LYS A 35 9.076 23.603 38.616 1.00 0.00 N ATOM 0 H LYS A 35 3.378 22.336 39.187 1.00 0.00 H new ATOM 0 HA LYS A 35 4.515 22.861 41.728 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.065 23.432 39.054 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.670 25.006 39.715 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.883 25.025 40.240 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.333 24.163 41.663 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.176 22.137 40.946 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.902 22.492 39.252 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.933 24.187 40.647 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.362 22.506 40.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.080 23.868 38.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.904 22.758 38.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.488 24.388 38.269 1.00 0.00 H new TER 573 LYS A 35