USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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 ALA N :NH3+ -122:sc= 0.107 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 76:sc= 0.0165 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -1.94! (180deg=-3.65!) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0389) USER MOD Single : A 23 ASN : amide:sc= -7.59! C(o=-7.6!,f=-7.9!) USER MOD Single : A 26 SER OG : rot 84:sc= 0.964 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -5.89! C(o=-5.9!,f=-7.9!) USER MOD Single : A 33 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.93) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc=-0.00968 (180deg=-0.0977) USER MOD Single : A 38 LYS NZ :NH3+ -105:sc= -0.564 (180deg=-2.84!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.036 (180deg=-0.354) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.064 2.549 -3.574 1.00 0.00 N ATOM 2 CA ALA A 1 -32.731 1.109 -3.428 1.00 0.00 C ATOM 3 C ALA A 1 -32.022 0.843 -2.106 1.00 0.00 C ATOM 4 O ALA A 1 -31.796 1.759 -1.315 1.00 0.00 O ATOM 5 CB ALA A 1 -31.863 0.647 -4.588 1.00 0.00 C ATOM 0 H1 ALA A 1 -34.090 2.657 -3.704 1.00 0.00 H new ATOM 0 H2 ALA A 1 -32.768 3.062 -2.719 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.567 2.938 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 1 -33.664 0.545 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -31.627 -0.410 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -32.400 0.794 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.939 1.225 -4.604 1.00 0.00 H new ATOM 13 N LYS A 2 -31.670 -0.416 -1.876 1.00 0.00 N ATOM 14 CA LYS A 2 -30.981 -0.809 -0.653 1.00 0.00 C ATOM 15 C LYS A 2 -29.655 -1.492 -0.972 1.00 0.00 C ATOM 16 O LYS A 2 -28.953 -1.955 -0.074 1.00 0.00 O ATOM 17 CB LYS A 2 -31.859 -1.748 0.180 1.00 0.00 C ATOM 18 CG LYS A 2 -33.246 -1.971 -0.403 1.00 0.00 C ATOM 19 CD LYS A 2 -33.266 -3.159 -1.351 1.00 0.00 C ATOM 20 CE LYS A 2 -34.657 -3.764 -1.458 1.00 0.00 C ATOM 21 NZ LYS A 2 -34.615 -5.253 -1.476 1.00 0.00 N ATOM 0 H LYS A 2 -31.851 -1.184 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 2 -30.779 0.094 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -31.356 -2.710 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -31.959 -1.340 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -33.959 -2.136 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -33.567 -1.075 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -32.928 -2.844 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -32.565 -3.917 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -35.265 -3.428 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -35.141 -3.403 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -35.583 -5.627 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -34.056 -5.575 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -34.176 -5.599 -0.599 1.00 0.00 H new ATOM 35 N ILE A 3 -29.319 -1.554 -2.257 1.00 0.00 N ATOM 36 CA ILE A 3 -28.080 -2.185 -2.694 1.00 0.00 C ATOM 37 C ILE A 3 -26.925 -1.189 -2.691 1.00 0.00 C ATOM 38 O ILE A 3 -25.827 -1.495 -2.227 1.00 0.00 O ATOM 39 CB ILE A 3 -28.226 -2.779 -4.108 1.00 0.00 C ATOM 40 CG1 ILE A 3 -29.696 -3.081 -4.412 1.00 0.00 C ATOM 41 CG2 ILE A 3 -27.385 -4.038 -4.246 1.00 0.00 C ATOM 42 CD1 ILE A 3 -30.378 -3.908 -3.343 1.00 0.00 C ATOM 0 H ILE A 3 -29.888 -1.175 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 3 -27.865 -2.987 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 3 -27.868 -2.045 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -30.234 -2.141 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -29.761 -3.608 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -27.500 -4.444 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -26.337 -3.796 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -27.714 -4.777 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -31.416 -4.083 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -29.864 -4.864 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -30.345 -3.374 -2.394 1.00 0.00 H new ATOM 54 N PRO A 4 -27.163 0.021 -3.216 1.00 0.00 N ATOM 55 CA PRO A 4 -26.144 1.073 -3.281 1.00 0.00 C ATOM 56 C PRO A 4 -25.455 1.305 -1.941 1.00 0.00 C ATOM 57 O PRO A 4 -24.316 1.770 -1.891 1.00 0.00 O ATOM 58 CB PRO A 4 -26.941 2.311 -3.693 1.00 0.00 C ATOM 59 CG PRO A 4 -28.114 1.774 -4.438 1.00 0.00 C ATOM 60 CD PRO A 4 -28.448 0.457 -3.791 1.00 0.00 C ATOM 0 HA PRO A 4 -25.339 0.816 -3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -27.255 2.888 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -26.345 2.976 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -28.959 2.461 -4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -27.878 1.641 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -29.214 0.570 -3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -28.828 -0.262 -4.517 1.00 0.00 H new ATOM 68 N ILE A 5 -26.149 0.980 -0.855 1.00 0.00 N ATOM 69 CA ILE A 5 -25.596 1.158 0.482 1.00 0.00 C ATOM 70 C ILE A 5 -24.294 0.384 0.644 1.00 0.00 C ATOM 71 O ILE A 5 -23.288 0.929 1.097 1.00 0.00 O ATOM 72 CB ILE A 5 -26.589 0.714 1.574 1.00 0.00 C ATOM 73 CG1 ILE A 5 -26.163 1.267 2.934 1.00 0.00 C ATOM 74 CG2 ILE A 5 -26.683 -0.804 1.623 1.00 0.00 C ATOM 75 CD1 ILE A 5 -24.932 0.592 3.498 1.00 0.00 C ATOM 0 H ILE A 5 -27.093 0.593 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 5 -25.400 2.224 0.601 1.00 0.00 H new ATOM 0 HB ILE A 5 -27.574 1.112 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -25.971 2.336 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -26.986 1.152 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -27.388 -1.100 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -27.027 -1.179 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -25.701 -1.222 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -24.686 1.033 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -25.127 -0.473 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -24.096 0.729 2.813 1.00 0.00 H new ATOM 87 N LYS A 6 -24.319 -0.887 0.269 1.00 0.00 N ATOM 88 CA LYS A 6 -23.136 -1.733 0.371 1.00 0.00 C ATOM 89 C LYS A 6 -22.000 -1.163 -0.469 1.00 0.00 C ATOM 90 O LYS A 6 -20.824 -1.332 -0.144 1.00 0.00 O ATOM 91 CB LYS A 6 -23.458 -3.158 -0.084 1.00 0.00 C ATOM 92 CG LYS A 6 -24.686 -3.747 0.590 1.00 0.00 C ATOM 93 CD LYS A 6 -25.667 -4.304 -0.430 1.00 0.00 C ATOM 94 CE LYS A 6 -26.469 -5.461 0.142 1.00 0.00 C ATOM 95 NZ LYS A 6 -25.710 -6.741 0.091 1.00 0.00 N ATOM 0 H LYS A 6 -25.143 -1.355 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.822 -1.759 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -23.609 -3.161 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.600 -3.798 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -24.382 -4.539 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -25.178 -2.980 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.345 -3.514 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -25.124 -4.638 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.739 -5.240 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.400 -5.568 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.291 -7.505 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.474 -6.965 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.834 -6.647 0.644 1.00 0.00 H new ATOM 109 N ALA A 7 -22.364 -0.485 -1.552 1.00 0.00 N ATOM 110 CA ALA A 7 -21.384 0.115 -2.446 1.00 0.00 C ATOM 111 C ALA A 7 -20.588 1.208 -1.741 1.00 0.00 C ATOM 112 O ALA A 7 -19.366 1.278 -1.868 1.00 0.00 O ATOM 113 CB ALA A 7 -22.074 0.673 -3.681 1.00 0.00 C ATOM 0 H ALA A 7 -23.334 -0.338 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 7 -20.684 -0.662 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -21.331 1.119 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -22.589 -0.132 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -22.797 1.432 -3.382 1.00 0.00 H new ATOM 119 N ILE A 8 -21.288 2.059 -0.999 1.00 0.00 N ATOM 120 CA ILE A 8 -20.640 3.148 -0.279 1.00 0.00 C ATOM 121 C ILE A 8 -19.643 2.613 0.745 1.00 0.00 C ATOM 122 O ILE A 8 -18.562 3.173 0.927 1.00 0.00 O ATOM 123 CB ILE A 8 -21.670 4.062 0.427 1.00 0.00 C ATOM 124 CG1 ILE A 8 -21.116 5.480 0.542 1.00 0.00 C ATOM 125 CG2 ILE A 8 -22.038 3.524 1.805 1.00 0.00 C ATOM 126 CD1 ILE A 8 -22.160 6.557 0.339 1.00 0.00 C ATOM 0 H ILE A 8 -22.300 2.016 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 8 -20.105 3.742 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 8 -22.578 4.079 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -20.663 5.605 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -20.322 5.612 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -22.763 4.189 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.471 2.529 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -21.143 3.468 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.694 7.538 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -22.596 6.458 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -22.942 6.452 1.091 1.00 0.00 H new ATOM 138 N LYS A 9 -20.014 1.523 1.406 1.00 0.00 N ATOM 139 CA LYS A 9 -19.155 0.907 2.409 1.00 0.00 C ATOM 140 C LYS A 9 -17.880 0.369 1.770 1.00 0.00 C ATOM 141 O LYS A 9 -16.794 0.477 2.339 1.00 0.00 O ATOM 142 CB LYS A 9 -19.897 -0.223 3.127 1.00 0.00 C ATOM 143 CG LYS A 9 -21.330 0.126 3.497 1.00 0.00 C ATOM 144 CD LYS A 9 -21.620 -0.183 4.957 1.00 0.00 C ATOM 145 CE LYS A 9 -22.810 -1.119 5.102 1.00 0.00 C ATOM 146 NZ LYS A 9 -22.536 -2.220 6.067 1.00 0.00 N ATOM 0 H LYS A 9 -20.905 1.047 1.265 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.883 1.670 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -19.901 -1.107 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.351 -0.486 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -21.509 1.184 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.017 -0.433 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.741 -0.636 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.818 0.745 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.679 -0.552 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.059 -1.543 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.371 -2.836 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.722 -2.777 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.323 -1.817 7.002 1.00 0.00 H new ATOM 160 N THR A 10 -18.020 -0.206 0.581 1.00 0.00 N ATOM 161 CA THR A 10 -16.877 -0.755 -0.137 1.00 0.00 C ATOM 162 C THR A 10 -15.869 0.341 -0.454 1.00 0.00 C ATOM 163 O THR A 10 -14.660 0.142 -0.332 1.00 0.00 O ATOM 164 CB THR A 10 -17.329 -1.437 -1.428 1.00 0.00 C ATOM 165 OG1 THR A 10 -18.001 -2.652 -1.146 1.00 0.00 O ATOM 166 CG2 THR A 10 -16.185 -1.752 -2.370 1.00 0.00 C ATOM 0 H THR A 10 -18.912 -0.304 0.095 1.00 0.00 H new ATOM 0 HA THR A 10 -16.400 -1.498 0.502 1.00 0.00 H new ATOM 0 HB THR A 10 -17.994 -0.723 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.904 -2.458 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.574 -2.235 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.677 -0.828 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.480 -2.420 -1.875 1.00 0.00 H new ATOM 174 N VAL A 11 -16.376 1.501 -0.858 1.00 0.00 N ATOM 175 CA VAL A 11 -15.519 2.632 -1.188 1.00 0.00 C ATOM 176 C VAL A 11 -14.647 3.012 -0.001 1.00 0.00 C ATOM 177 O VAL A 11 -13.434 3.174 -0.136 1.00 0.00 O ATOM 178 CB VAL A 11 -16.338 3.859 -1.625 1.00 0.00 C ATOM 179 CG1 VAL A 11 -15.419 4.965 -2.123 1.00 0.00 C ATOM 180 CG2 VAL A 11 -17.343 3.468 -2.695 1.00 0.00 C ATOM 0 H VAL A 11 -17.374 1.682 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.889 2.320 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 11 -16.886 4.238 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.016 5.825 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.739 5.260 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.843 4.603 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.915 4.346 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.816 3.066 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.020 2.711 -2.299 1.00 0.00 H new ATOM 190 N GLY A 12 -15.269 3.139 1.164 1.00 0.00 N ATOM 191 CA GLY A 12 -14.522 3.482 2.357 1.00 0.00 C ATOM 192 C GLY A 12 -13.387 2.509 2.592 1.00 0.00 C ATOM 193 O GLY A 12 -12.296 2.896 3.014 1.00 0.00 O ATOM 0 H GLY A 12 -16.271 3.011 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.124 4.492 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.189 3.482 3.219 1.00 0.00 H new ATOM 197 N LYS A 13 -13.646 1.239 2.298 1.00 0.00 N ATOM 198 CA LYS A 13 -12.641 0.200 2.459 1.00 0.00 C ATOM 199 C LYS A 13 -11.563 0.342 1.393 1.00 0.00 C ATOM 200 O LYS A 13 -10.391 0.061 1.640 1.00 0.00 O ATOM 201 CB LYS A 13 -13.283 -1.185 2.377 1.00 0.00 C ATOM 202 CG LYS A 13 -14.023 -1.588 3.642 1.00 0.00 C ATOM 203 CD LYS A 13 -13.060 -1.996 4.746 1.00 0.00 C ATOM 204 CE LYS A 13 -12.600 -3.434 4.579 1.00 0.00 C ATOM 205 NZ LYS A 13 -11.669 -3.588 3.427 1.00 0.00 N ATOM 0 H LYS A 13 -14.544 0.907 1.947 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.183 0.312 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.978 -1.205 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.509 -1.923 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.639 -0.757 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.697 -2.416 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.195 -1.333 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.545 -1.878 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.106 -3.766 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.467 -4.078 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.007 -4.367 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.214 -3.799 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.135 -2.706 3.292 1.00 0.00 H new ATOM 219 N ALA A 14 -11.967 0.792 0.207 1.00 0.00 N ATOM 220 CA ALA A 14 -11.028 0.984 -0.888 1.00 0.00 C ATOM 221 C ALA A 14 -9.864 1.850 -0.431 1.00 0.00 C ATOM 222 O ALA A 14 -8.704 1.442 -0.503 1.00 0.00 O ATOM 223 CB ALA A 14 -11.726 1.612 -2.085 1.00 0.00 C ATOM 0 H ALA A 14 -12.934 1.028 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.640 0.012 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.009 1.748 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.532 0.959 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.139 2.580 -1.799 1.00 0.00 H new ATOM 229 N VAL A 15 -10.187 3.040 0.060 1.00 0.00 N ATOM 230 CA VAL A 15 -9.174 3.959 0.553 1.00 0.00 C ATOM 231 C VAL A 15 -8.368 3.302 1.663 1.00 0.00 C ATOM 232 O VAL A 15 -7.159 3.506 1.777 1.00 0.00 O ATOM 233 CB VAL A 15 -9.798 5.260 1.090 1.00 0.00 C ATOM 234 CG1 VAL A 15 -8.728 6.321 1.292 1.00 0.00 C ATOM 235 CG2 VAL A 15 -10.887 5.758 0.152 1.00 0.00 C ATOM 0 H VAL A 15 -11.143 3.389 0.127 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.525 4.208 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.255 5.051 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.188 7.233 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.989 5.961 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.239 6.530 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.316 6.678 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.459 5.951 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.667 5.002 0.066 1.00 0.00 H new ATOM 245 N GLY A 16 -9.050 2.502 2.476 1.00 0.00 N ATOM 246 CA GLY A 16 -8.387 1.812 3.564 1.00 0.00 C ATOM 247 C GLY A 16 -7.296 0.884 3.069 1.00 0.00 C ATOM 248 O GLY A 16 -6.213 0.816 3.653 1.00 0.00 O ATOM 0 H GLY A 16 -10.051 2.320 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.957 2.543 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.121 1.239 4.130 1.00 0.00 H new ATOM 252 N LYS A 17 -7.578 0.173 1.983 1.00 0.00 N ATOM 253 CA LYS A 17 -6.608 -0.747 1.407 1.00 0.00 C ATOM 254 C LYS A 17 -5.520 0.024 0.668 1.00 0.00 C ATOM 255 O LYS A 17 -4.394 -0.453 0.523 1.00 0.00 O ATOM 256 CB LYS A 17 -7.299 -1.729 0.460 1.00 0.00 C ATOM 257 CG LYS A 17 -8.295 -2.645 1.156 1.00 0.00 C ATOM 258 CD LYS A 17 -7.609 -3.554 2.165 1.00 0.00 C ATOM 259 CE LYS A 17 -7.880 -3.109 3.594 1.00 0.00 C ATOM 260 NZ LYS A 17 -6.636 -3.078 4.412 1.00 0.00 N ATOM 0 H LYS A 17 -8.468 0.217 1.486 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.146 -1.313 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.816 -1.168 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.542 -2.338 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.051 -2.044 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.814 -3.251 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.958 -4.578 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.535 -3.557 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.334 -2.118 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.600 -3.785 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.885 -3.056 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.069 -3.927 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.084 -2.230 4.173 1.00 0.00 H new ATOM 274 N GLY A 18 -5.864 1.225 0.211 1.00 0.00 N ATOM 275 CA GLY A 18 -4.904 2.050 -0.497 1.00 0.00 C ATOM 276 C GLY A 18 -3.691 2.366 0.354 1.00 0.00 C ATOM 277 O GLY A 18 -2.556 2.130 -0.060 1.00 0.00 O ATOM 0 H GLY A 18 -6.789 1.640 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.586 1.538 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.383 2.979 -0.806 1.00 0.00 H new ATOM 281 N LEU A 19 -3.930 2.894 1.551 1.00 0.00 N ATOM 282 CA LEU A 19 -2.845 3.232 2.465 1.00 0.00 C ATOM 283 C LEU A 19 -2.089 1.976 2.877 1.00 0.00 C ATOM 284 O LEU A 19 -0.860 1.913 2.791 1.00 0.00 O ATOM 285 CB LEU A 19 -3.391 3.949 3.700 1.00 0.00 C ATOM 286 CG LEU A 19 -4.447 3.172 4.486 1.00 0.00 C ATOM 287 CD1 LEU A 19 -3.812 2.466 5.675 1.00 0.00 C ATOM 288 CD2 LEU A 19 -5.558 4.105 4.947 1.00 0.00 C ATOM 0 H LEU A 19 -4.863 3.096 1.910 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.156 3.902 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.559 4.177 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.820 4.901 3.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.882 2.417 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.578 1.918 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.051 1.771 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.352 3.203 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.302 3.537 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.139 4.881 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.030 4.566 4.079 1.00 0.00 H new ATOM 300 N ARG A 20 -2.830 0.965 3.306 1.00 0.00 N ATOM 301 CA ARG A 20 -2.218 -0.287 3.704 1.00 0.00 C ATOM 302 C ARG A 20 -1.252 -0.728 2.615 1.00 0.00 C ATOM 303 O ARG A 20 -0.116 -1.117 2.891 1.00 0.00 O ATOM 304 CB ARG A 20 -3.300 -1.348 3.964 1.00 0.00 C ATOM 305 CG ARG A 20 -2.786 -2.784 4.056 1.00 0.00 C ATOM 306 CD ARG A 20 -2.234 -3.299 2.729 1.00 0.00 C ATOM 307 NE ARG A 20 -2.990 -2.804 1.577 1.00 0.00 N ATOM 308 CZ ARG A 20 -3.082 -3.454 0.422 1.00 0.00 C ATOM 309 NH1 ARG A 20 -2.472 -4.620 0.262 1.00 0.00 N ATOM 310 NH2 ARG A 20 -3.781 -2.935 -0.578 1.00 0.00 N ATOM 0 H ARG A 20 -3.847 0.989 3.386 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.663 -0.156 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.814 -1.101 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.041 -1.293 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.005 -2.838 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.596 -3.435 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.191 -2.998 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.252 -4.389 2.730 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.473 -1.910 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.930 -5.021 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.545 -5.116 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.249 -2.036 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.851 -3.435 -1.464 1.00 0.00 H new ATOM 324 N ALA A 21 -1.708 -0.650 1.371 1.00 0.00 N ATOM 325 CA ALA A 21 -0.879 -1.028 0.239 1.00 0.00 C ATOM 326 C ALA A 21 0.405 -0.217 0.250 1.00 0.00 C ATOM 327 O ALA A 21 1.467 -0.703 -0.132 1.00 0.00 O ATOM 328 CB ALA A 21 -1.630 -0.834 -1.070 1.00 0.00 C ATOM 0 H ALA A 21 -2.644 -0.329 1.123 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.628 -2.085 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.990 -1.123 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.527 -1.453 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.912 0.214 -1.176 1.00 0.00 H new ATOM 334 N ILE A 22 0.303 1.017 0.723 1.00 0.00 N ATOM 335 CA ILE A 22 1.461 1.883 0.820 1.00 0.00 C ATOM 336 C ILE A 22 2.366 1.398 1.948 1.00 0.00 C ATOM 337 O ILE A 22 3.509 1.835 2.074 1.00 0.00 O ATOM 338 CB ILE A 22 1.054 3.355 1.067 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.584 3.999 -0.238 1.00 0.00 C ATOM 340 CG2 ILE A 22 2.210 4.148 1.662 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.441 5.094 -0.039 1.00 0.00 C ATOM 0 H ILE A 22 -0.569 1.437 1.044 1.00 0.00 H new ATOM 0 HA ILE A 22 1.996 1.842 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 22 0.232 3.366 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.447 4.411 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.160 3.228 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.898 5.179 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.505 3.703 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.056 4.130 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.728 5.504 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.321 4.683 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.014 5.885 0.578 1.00 0.00 H new ATOM 353 N ASN A 23 1.842 0.481 2.765 1.00 0.00 N ATOM 354 CA ASN A 23 2.604 -0.069 3.878 1.00 0.00 C ATOM 355 C ASN A 23 3.577 -1.130 3.393 1.00 0.00 C ATOM 356 O ASN A 23 4.791 -1.000 3.558 1.00 0.00 O ATOM 357 CB ASN A 23 1.652 -0.639 4.932 1.00 0.00 C ATOM 358 CG ASN A 23 1.558 -2.155 4.942 1.00 0.00 C ATOM 359 OD1 ASN A 23 2.546 -2.849 5.185 1.00 0.00 O ATOM 360 ND2 ASN A 23 0.368 -2.674 4.674 1.00 0.00 N ATOM 0 H ASN A 23 0.897 0.108 2.674 1.00 0.00 H new ATOM 0 HA ASN A 23 3.187 0.732 4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.976 -0.301 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.657 -0.227 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.244 -3.686 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.423 -2.061 4.478 1.00 0.00 H new ATOM 367 N ILE A 24 3.036 -2.173 2.786 1.00 0.00 N ATOM 368 CA ILE A 24 3.859 -3.246 2.268 1.00 0.00 C ATOM 369 C ILE A 24 4.791 -2.684 1.215 1.00 0.00 C ATOM 370 O ILE A 24 5.863 -3.230 0.950 1.00 0.00 O ATOM 371 CB ILE A 24 3.008 -4.398 1.686 1.00 0.00 C ATOM 372 CG1 ILE A 24 2.579 -4.116 0.239 1.00 0.00 C ATOM 373 CG2 ILE A 24 1.788 -4.641 2.563 1.00 0.00 C ATOM 374 CD1 ILE A 24 1.357 -3.235 0.131 1.00 0.00 C ATOM 0 H ILE A 24 2.034 -2.297 2.641 1.00 0.00 H new ATOM 0 HA ILE A 24 4.438 -3.668 3.089 1.00 0.00 H new ATOM 0 HB ILE A 24 3.627 -5.295 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.406 -3.643 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.379 -5.063 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.195 -5.454 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.111 -4.908 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.183 -3.735 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.113 -3.079 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.516 -3.716 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.559 -2.274 0.603 1.00 0.00 H new ATOM 386 N ALA A 25 4.376 -1.561 0.638 1.00 0.00 N ATOM 387 CA ALA A 25 5.170 -0.889 -0.364 1.00 0.00 C ATOM 388 C ALA A 25 6.160 0.051 0.307 1.00 0.00 C ATOM 389 O ALA A 25 7.214 0.359 -0.248 1.00 0.00 O ATOM 390 CB ALA A 25 4.284 -0.132 -1.342 1.00 0.00 C ATOM 0 H ALA A 25 3.491 -1.102 0.853 1.00 0.00 H new ATOM 0 HA ALA A 25 5.724 -1.638 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.906 0.365 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.611 -0.831 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.699 0.613 -0.802 1.00 0.00 H new ATOM 396 N SER A 26 5.820 0.493 1.519 1.00 0.00 N ATOM 397 CA SER A 26 6.695 1.385 2.270 1.00 0.00 C ATOM 398 C SER A 26 7.859 0.598 2.857 1.00 0.00 C ATOM 399 O SER A 26 8.992 1.079 2.900 1.00 0.00 O ATOM 400 CB SER A 26 5.919 2.092 3.383 1.00 0.00 C ATOM 401 OG SER A 26 5.464 3.365 2.959 1.00 0.00 O ATOM 0 H SER A 26 4.952 0.249 1.995 1.00 0.00 H new ATOM 0 HA SER A 26 7.085 2.143 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.068 1.480 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.556 2.204 4.260 1.00 0.00 H new ATOM 0 HG SER A 26 4.624 3.264 2.465 1.00 0.00 H new ATOM 407 N THR A 27 7.572 -0.625 3.290 1.00 0.00 N ATOM 408 CA THR A 27 8.592 -1.494 3.855 1.00 0.00 C ATOM 409 C THR A 27 9.506 -2.006 2.749 1.00 0.00 C ATOM 410 O THR A 27 10.712 -2.155 2.941 1.00 0.00 O ATOM 411 CB THR A 27 7.943 -2.670 4.587 1.00 0.00 C ATOM 412 OG1 THR A 27 7.500 -2.276 5.873 1.00 0.00 O ATOM 413 CG2 THR A 27 8.869 -3.854 4.764 1.00 0.00 C ATOM 0 H THR A 27 6.639 -1.035 3.259 1.00 0.00 H new ATOM 0 HA THR A 27 9.184 -0.923 4.571 1.00 0.00 H new ATOM 0 HB THR A 27 7.108 -2.976 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.086 -3.041 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.344 -4.651 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.190 -4.214 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.741 -3.550 5.343 1.00 0.00 H new ATOM 421 N ALA A 28 8.916 -2.263 1.585 1.00 0.00 N ATOM 422 CA ALA A 28 9.667 -2.749 0.436 1.00 0.00 C ATOM 423 C ALA A 28 10.746 -1.752 0.032 1.00 0.00 C ATOM 424 O ALA A 28 11.832 -2.140 -0.400 1.00 0.00 O ATOM 425 CB ALA A 28 8.729 -3.021 -0.731 1.00 0.00 C ATOM 0 H ALA A 28 7.918 -2.142 1.414 1.00 0.00 H new ATOM 0 HA ALA A 28 10.156 -3.682 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.304 -3.384 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.996 -3.774 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.214 -2.101 -1.006 1.00 0.00 H new ATOM 431 N ASN A 29 10.446 -0.464 0.181 1.00 0.00 N ATOM 432 CA ASN A 29 11.404 0.580 -0.166 1.00 0.00 C ATOM 433 C ASN A 29 12.604 0.528 0.773 1.00 0.00 C ATOM 434 O ASN A 29 13.753 0.554 0.332 1.00 0.00 O ATOM 435 CB ASN A 29 10.732 1.961 -0.127 1.00 0.00 C ATOM 436 CG ASN A 29 10.946 2.697 1.186 1.00 0.00 C ATOM 437 OD1 ASN A 29 12.079 2.894 1.624 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.853 3.110 1.817 1.00 0.00 N ATOM 0 H ASN A 29 9.554 -0.121 0.537 1.00 0.00 H new ATOM 0 HA ASN A 29 11.759 0.408 -1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.120 2.569 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.662 1.842 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.934 3.612 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.933 2.925 1.418 1.00 0.00 H new ATOM 445 N ASP A 30 12.325 0.437 2.068 1.00 0.00 N ATOM 446 CA ASP A 30 13.378 0.361 3.071 1.00 0.00 C ATOM 447 C ASP A 30 14.163 -0.933 2.901 1.00 0.00 C ATOM 448 O ASP A 30 15.380 -0.969 3.088 1.00 0.00 O ATOM 449 CB ASP A 30 12.784 0.435 4.479 1.00 0.00 C ATOM 450 CG ASP A 30 13.515 1.425 5.364 1.00 0.00 C ATOM 451 OD1 ASP A 30 13.314 2.644 5.184 1.00 0.00 O ATOM 452 OD2 ASP A 30 14.288 0.980 6.239 1.00 0.00 O ATOM 0 H ASP A 30 11.378 0.414 2.447 1.00 0.00 H new ATOM 0 HA ASP A 30 14.051 1.207 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.733 0.718 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.819 -0.553 4.938 1.00 0.00 H new ATOM 457 N VAL A 31 13.454 -1.994 2.529 1.00 0.00 N ATOM 458 CA VAL A 31 14.079 -3.290 2.315 1.00 0.00 C ATOM 459 C VAL A 31 15.170 -3.181 1.262 1.00 0.00 C ATOM 460 O VAL A 31 16.250 -3.755 1.405 1.00 0.00 O ATOM 461 CB VAL A 31 13.052 -4.346 1.870 1.00 0.00 C ATOM 462 CG1 VAL A 31 13.717 -5.703 1.700 1.00 0.00 C ATOM 463 CG2 VAL A 31 11.906 -4.428 2.865 1.00 0.00 C ATOM 0 H VAL A 31 12.447 -1.980 2.370 1.00 0.00 H new ATOM 0 HA VAL A 31 14.511 -3.605 3.265 1.00 0.00 H new ATOM 0 HB VAL A 31 12.645 -4.044 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.974 -6.436 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.500 -5.633 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.155 -6.015 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.190 -5.180 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.294 -4.704 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.411 -3.459 2.930 1.00 0.00 H new ATOM 473 N PHE A 32 14.884 -2.429 0.205 1.00 0.00 N ATOM 474 CA PHE A 32 15.850 -2.236 -0.865 1.00 0.00 C ATOM 475 C PHE A 32 17.078 -1.515 -0.335 1.00 0.00 C ATOM 476 O PHE A 32 18.206 -1.876 -0.656 1.00 0.00 O ATOM 477 CB PHE A 32 15.238 -1.447 -2.022 1.00 0.00 C ATOM 478 CG PHE A 32 15.665 -1.948 -3.372 1.00 0.00 C ATOM 479 CD1 PHE A 32 15.645 -3.303 -3.658 1.00 0.00 C ATOM 480 CD2 PHE A 32 16.086 -1.065 -4.353 1.00 0.00 C ATOM 481 CE1 PHE A 32 16.035 -3.770 -4.898 1.00 0.00 C ATOM 482 CE2 PHE A 32 16.477 -1.526 -5.596 1.00 0.00 C ATOM 483 CZ PHE A 32 16.452 -2.880 -5.869 1.00 0.00 C ATOM 0 H PHE A 32 13.996 -1.946 0.068 1.00 0.00 H new ATOM 0 HA PHE A 32 16.143 -3.217 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 32 14.151 -1.495 -1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 32 15.518 -0.398 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.321 -4.003 -2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 32 16.109 -0.006 -4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 32 16.014 -4.829 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.802 -0.828 -6.353 1.00 0.00 H new ATOM 0 HZ PHE A 32 16.758 -3.242 -6.839 1.00 0.00 H new ATOM 493 N ASN A 33 16.853 -0.502 0.494 1.00 0.00 N ATOM 494 CA ASN A 33 17.952 0.252 1.078 1.00 0.00 C ATOM 495 C ASN A 33 18.930 -0.699 1.755 1.00 0.00 C ATOM 496 O ASN A 33 20.135 -0.452 1.787 1.00 0.00 O ATOM 497 CB ASN A 33 17.428 1.280 2.084 1.00 0.00 C ATOM 498 CG ASN A 33 17.180 2.633 1.446 1.00 0.00 C ATOM 499 OD1 ASN A 33 17.948 3.080 0.594 1.00 0.00 O ATOM 500 ND2 ASN A 33 16.104 3.295 1.857 1.00 0.00 N ATOM 0 H ASN A 33 15.925 -0.186 0.775 1.00 0.00 H new ATOM 0 HA ASN A 33 18.470 0.787 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.501 0.913 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.147 1.390 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.888 4.211 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.494 2.887 2.566 1.00 0.00 H new ATOM 507 N PHE A 34 18.400 -1.800 2.280 1.00 0.00 N ATOM 508 CA PHE A 34 19.225 -2.804 2.939 1.00 0.00 C ATOM 509 C PHE A 34 20.016 -3.597 1.905 1.00 0.00 C ATOM 510 O PHE A 34 21.148 -4.012 2.155 1.00 0.00 O ATOM 511 CB PHE A 34 18.356 -3.750 3.770 1.00 0.00 C ATOM 512 CG PHE A 34 19.134 -4.843 4.446 1.00 0.00 C ATOM 513 CD1 PHE A 34 19.980 -4.555 5.505 1.00 0.00 C ATOM 514 CD2 PHE A 34 19.020 -6.158 4.023 1.00 0.00 C ATOM 515 CE1 PHE A 34 20.698 -5.558 6.128 1.00 0.00 C ATOM 516 CE2 PHE A 34 19.736 -7.165 4.643 1.00 0.00 C ATOM 517 CZ PHE A 34 20.576 -6.864 5.697 1.00 0.00 C ATOM 0 H PHE A 34 17.404 -2.018 2.261 1.00 0.00 H new ATOM 0 HA PHE A 34 19.922 -2.295 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 34 17.825 -3.172 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 34 17.601 -4.199 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.079 -3.535 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 34 18.364 -6.399 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.355 -5.320 6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 34 19.639 -8.186 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 34 21.136 -7.649 6.183 1.00 0.00 H new ATOM 527 N LEU A 35 19.409 -3.801 0.738 1.00 0.00 N ATOM 528 CA LEU A 35 20.051 -4.542 -0.343 1.00 0.00 C ATOM 529 C LEU A 35 20.855 -3.606 -1.241 1.00 0.00 C ATOM 530 O LEU A 35 21.782 -4.035 -1.927 1.00 0.00 O ATOM 531 CB LEU A 35 19.002 -5.287 -1.172 1.00 0.00 C ATOM 532 CG LEU A 35 19.423 -5.619 -2.604 1.00 0.00 C ATOM 533 CD1 LEU A 35 18.659 -6.830 -3.119 1.00 0.00 C ATOM 534 CD2 LEU A 35 19.203 -4.421 -3.515 1.00 0.00 C ATOM 0 H LEU A 35 18.472 -3.463 0.518 1.00 0.00 H new ATOM 0 HA LEU A 35 20.734 -5.266 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.749 -6.215 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.094 -4.685 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 35 20.486 -5.860 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.972 -7.051 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.867 -7.689 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.590 -6.618 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 35 19.508 -4.675 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.147 -4.149 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 35 19.796 -3.579 -3.158 1.00 0.00 H new ATOM 546 N LYS A 36 20.488 -2.327 -1.229 1.00 0.00 N ATOM 547 CA LYS A 36 21.162 -1.316 -2.034 1.00 0.00 C ATOM 548 C LYS A 36 21.521 -1.854 -3.415 1.00 0.00 C ATOM 549 O LYS A 36 22.508 -2.572 -3.578 1.00 0.00 O ATOM 550 CB LYS A 36 22.419 -0.816 -1.321 1.00 0.00 C ATOM 551 CG LYS A 36 23.231 -1.921 -0.670 1.00 0.00 C ATOM 552 CD LYS A 36 22.583 -2.401 0.617 1.00 0.00 C ATOM 553 CE LYS A 36 23.485 -2.163 1.817 1.00 0.00 C ATOM 554 NZ LYS A 36 24.731 -2.977 1.747 1.00 0.00 N ATOM 0 H LYS A 36 19.720 -1.965 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 36 20.472 -0.482 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 23.048 -0.289 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 36 22.130 -0.092 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 23.331 -2.757 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.237 -1.559 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.636 -1.882 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.355 -3.464 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 23.745 -1.106 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.944 -2.406 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 25.156 -3.043 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 24.503 -3.931 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 25.405 -2.525 1.096 1.00 0.00 H new ATOM 568 N PRO A 37 20.725 -1.502 -4.435 1.00 0.00 N ATOM 569 CA PRO A 37 20.960 -1.941 -5.814 1.00 0.00 C ATOM 570 C PRO A 37 22.357 -1.573 -6.295 1.00 0.00 C ATOM 571 O PRO A 37 23.217 -2.438 -6.463 1.00 0.00 O ATOM 572 CB PRO A 37 19.895 -1.190 -6.627 1.00 0.00 C ATOM 573 CG PRO A 37 19.398 -0.110 -5.725 1.00 0.00 C ATOM 574 CD PRO A 37 19.541 -0.639 -4.329 1.00 0.00 C ATOM 0 HA PRO A 37 20.893 -3.024 -5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 37 20.319 -0.775 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 37 19.086 -1.857 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.976 0.805 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.359 0.135 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.687 0.162 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 37 18.659 -1.197 -4.014 1.00 0.00 H new ATOM 582 N LYS A 38 22.578 -0.282 -6.505 1.00 0.00 N ATOM 583 CA LYS A 38 23.874 0.207 -6.956 1.00 0.00 C ATOM 584 C LYS A 38 24.826 0.349 -5.774 1.00 0.00 C ATOM 585 O LYS A 38 24.522 -0.094 -4.667 1.00 0.00 O ATOM 586 CB LYS A 38 23.720 1.552 -7.670 1.00 0.00 C ATOM 587 CG LYS A 38 23.519 2.725 -6.725 1.00 0.00 C ATOM 588 CD LYS A 38 22.945 3.931 -7.450 1.00 0.00 C ATOM 589 CE LYS A 38 23.897 5.116 -7.404 1.00 0.00 C ATOM 590 NZ LYS A 38 23.302 6.276 -6.685 1.00 0.00 N ATOM 0 H LYS A 38 21.876 0.446 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 38 24.289 -0.516 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.606 1.734 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 38 22.871 1.496 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.849 2.432 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 38 24.472 2.993 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 22.739 3.669 -8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 21.994 4.210 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.823 4.819 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.157 5.413 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.015 7.001 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.470 5.961 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.005 6.677 -6.032 1.00 0.00 H new ATOM 604 N LYS A 39 25.976 0.966 -6.011 1.00 0.00 N ATOM 605 CA LYS A 39 26.964 1.160 -4.959 1.00 0.00 C ATOM 606 C LYS A 39 26.639 2.393 -4.122 1.00 0.00 C ATOM 607 O LYS A 39 27.514 3.212 -3.842 1.00 0.00 O ATOM 608 CB LYS A 39 28.361 1.294 -5.564 1.00 0.00 C ATOM 609 CG LYS A 39 28.607 0.353 -6.732 1.00 0.00 C ATOM 610 CD LYS A 39 30.052 0.410 -7.199 1.00 0.00 C ATOM 611 CE LYS A 39 30.232 1.411 -8.329 1.00 0.00 C ATOM 612 NZ LYS A 39 29.557 0.964 -9.579 1.00 0.00 N ATOM 0 H LYS A 39 26.247 1.340 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 39 26.938 0.287 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 28.507 2.321 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 39 29.104 1.102 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 39 28.359 -0.667 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 39 27.946 0.616 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 39 30.695 0.684 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 39 30.367 -0.579 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 39 29.830 2.378 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 39 31.295 1.554 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 29.988 1.442 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 29.665 -0.065 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 28.546 1.203 -9.532 1.00 0.00 H new ATOM 626 N ARG A 40 25.376 2.520 -3.722 1.00 0.00 N ATOM 627 CA ARG A 40 24.943 3.654 -2.915 1.00 0.00 C ATOM 628 C ARG A 40 25.513 3.562 -1.504 1.00 0.00 C ATOM 629 O ARG A 40 25.272 2.590 -0.788 1.00 0.00 O ATOM 630 CB ARG A 40 23.415 3.715 -2.858 1.00 0.00 C ATOM 631 CG ARG A 40 22.819 4.845 -3.682 1.00 0.00 C ATOM 632 CD ARG A 40 22.601 6.094 -2.842 1.00 0.00 C ATOM 633 NE ARG A 40 21.189 6.309 -2.538 1.00 0.00 N ATOM 634 CZ ARG A 40 20.757 7.072 -1.539 1.00 0.00 C ATOM 635 NH1 ARG A 40 21.624 7.692 -0.751 1.00 0.00 N ATOM 636 NH2 ARG A 40 19.455 7.217 -1.329 1.00 0.00 N ATOM 0 H ARG A 40 24.637 1.852 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 40 25.317 4.565 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 40 23.009 2.767 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 40 23.103 3.830 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 40 23.482 5.077 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 40 21.870 4.523 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 40 23.163 6.008 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 40 22.994 6.961 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 40 20.495 5.847 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 22.626 7.584 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.289 8.277 0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.785 6.743 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.124 7.803 -0.562 1.00 0.00 H new ATOM 650 N LYS A 41 26.273 4.579 -1.112 1.00 0.00 N ATOM 651 CA LYS A 41 26.881 4.611 0.213 1.00 0.00 C ATOM 652 C LYS A 41 25.956 5.281 1.223 1.00 0.00 C ATOM 653 O LYS A 41 25.774 6.499 1.202 1.00 0.00 O ATOM 654 CB LYS A 41 28.221 5.347 0.161 1.00 0.00 C ATOM 655 CG LYS A 41 29.187 4.775 -0.865 1.00 0.00 C ATOM 656 CD LYS A 41 30.524 5.496 -0.838 1.00 0.00 C ATOM 657 CE LYS A 41 31.627 4.644 -1.445 1.00 0.00 C ATOM 658 NZ LYS A 41 31.474 4.506 -2.920 1.00 0.00 N ATOM 0 H LYS A 41 26.482 5.391 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 41 27.050 3.583 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 41 28.041 6.398 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 28.686 5.310 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 41 29.341 3.714 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 41 28.750 4.854 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 41 30.444 6.435 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 41 30.782 5.749 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 41 32.596 5.091 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 41 31.617 3.656 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 32.245 3.918 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 30.561 4.057 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 31.509 5.447 -3.362 1.00 0.00 H new ATOM 672 N ALA A 42 25.374 4.479 2.109 1.00 0.00 N ATOM 673 CA ALA A 42 24.468 4.995 3.129 1.00 0.00 C ATOM 674 C ALA A 42 25.217 5.314 4.418 1.00 0.00 C ATOM 675 O ALA A 42 25.193 4.471 5.340 1.00 0.00 O ATOM 676 CB ALA A 42 23.351 3.998 3.397 1.00 0.00 C ATOM 677 OXT ALA A 42 25.824 6.403 4.495 1.00 0.00 O ATOM 0 H ALA A 42 25.514 3.469 2.141 1.00 0.00 H new ATOM 0 HA ALA A 42 24.030 5.921 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.683 4.397 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.790 3.824 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 23.778 3.057 3.744 1.00 0.00 H new TER 683 ALA A 42