USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 74 GLN : amide:sc= 0.805 K(o=1.7,f=-3.1) USER MOD Set 1.2: A 76 SER OG : rot 58:sc= 0.936 USER MOD Set 2.1: A 53 SER OG : rot 180:sc=-0.00902 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0.112 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.741 K(o=1.2,f=1.8) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= 0.445 USER MOD Set 4.1: A 17 CYS SG : rot 180:sc= 0.587 USER MOD Set 4.2: A 66 TYR OH : rot -43:sc= 0.673 USER MOD Single : A 1 VAL N :NH3+ -119:sc= 0.167 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 118:sc= 1.31 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 0.302 (180deg=-0.729) USER MOD Single : A 12 MET CE :methyl -145:sc= -0.495 (180deg=-3.85!) USER MOD Single : A 13 THR OG1 : rot 136:sc= 1.24 USER MOD Single : A 14 CYS SG : rot 33:sc= 0.191 USER MOD Single : A 19 ASN : amide:sc= 0.686 K(o=0.69,f=-0.028) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.909 K(o=0.91,f=-0.15) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.202 K(o=-0.2,f=-5.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.219 (180deg=-0.214) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0113 (180deg=-0.144) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc=-0.00421 (180deg=-0.143) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.331 12.941 10.096 1.00 10.00 N ATOM 2 CA VAL A 1 -9.367 11.477 10.001 1.00 10.00 C ATOM 3 C VAL A 1 -8.295 11.097 8.985 1.00 10.00 C ATOM 4 O VAL A 1 -7.356 11.878 8.839 1.00 10.00 O ATOM 5 CB VAL A 1 -10.800 10.976 9.720 1.00 10.00 C ATOM 6 CG1 VAL A 1 -11.328 11.339 8.324 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.961 9.472 9.980 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.095 13.220 11.070 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.611 13.314 9.445 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.262 13.328 9.841 1.00 10.00 H new ATOM 0 HA VAL A 1 -9.127 10.971 10.936 1.00 10.00 H new ATOM 0 HB VAL A 1 -11.418 11.516 10.438 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -12.340 10.951 8.206 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -11.339 12.423 8.210 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.680 10.901 7.565 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.987 9.174 9.767 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.280 8.916 9.335 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.730 9.256 11.023 1.00 10.00 H new ATOM 19 N THR A 2 -8.407 9.951 8.330 1.00 10.00 N ATOM 20 CA THR A 2 -7.474 9.412 7.367 1.00 10.00 C ATOM 21 C THR A 2 -7.876 9.851 5.952 1.00 10.00 C ATOM 22 O THR A 2 -9.004 10.285 5.727 1.00 10.00 O ATOM 23 CB THR A 2 -7.514 7.895 7.604 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.860 7.512 7.862 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.692 7.600 8.873 1.00 10.00 C ATOM 0 H THR A 2 -9.208 9.336 8.471 1.00 10.00 H new ATOM 0 HA THR A 2 -6.451 9.772 7.478 1.00 10.00 H new ATOM 0 HB THR A 2 -7.122 7.359 6.740 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.161 6.888 7.169 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.700 6.528 9.071 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.665 7.935 8.727 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.129 8.128 9.720 1.00 10.00 H new ATOM 33 N GLU A 3 -6.922 9.789 5.024 1.00 10.00 N ATOM 34 CA GLU A 3 -6.987 10.332 3.677 1.00 10.00 C ATOM 35 C GLU A 3 -6.680 9.208 2.693 1.00 10.00 C ATOM 36 O GLU A 3 -5.877 8.325 2.990 1.00 10.00 O ATOM 37 CB GLU A 3 -5.950 11.463 3.561 1.00 10.00 C ATOM 38 CG GLU A 3 -6.600 12.808 3.233 1.00 10.00 C ATOM 39 CD GLU A 3 -5.737 13.958 3.740 1.00 10.00 C ATOM 40 OE1 GLU A 3 -5.677 14.107 4.980 1.00 10.00 O ATOM 41 OE2 GLU A 3 -5.138 14.648 2.889 1.00 10.00 O ATOM 0 H GLU A 3 -6.030 9.329 5.209 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.975 10.735 3.456 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.399 11.546 4.498 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.226 11.212 2.786 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.739 12.898 2.156 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.589 12.861 3.688 1.00 10.00 H new ATOM 48 N LYS A 4 -7.330 9.238 1.530 1.00 10.00 N ATOM 49 CA LYS A 4 -7.239 8.203 0.523 1.00 10.00 C ATOM 50 C LYS A 4 -6.054 8.482 -0.394 1.00 10.00 C ATOM 51 O LYS A 4 -5.974 9.542 -1.006 1.00 10.00 O ATOM 52 CB LYS A 4 -8.543 8.166 -0.281 1.00 10.00 C ATOM 53 CG LYS A 4 -9.629 7.273 0.340 1.00 10.00 C ATOM 54 CD LYS A 4 -9.235 5.784 0.283 1.00 10.00 C ATOM 55 CE LYS A 4 -10.448 4.838 0.375 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.715 4.320 1.736 1.00 10.00 N ATOM 0 H LYS A 4 -7.947 10.005 1.264 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.088 7.235 1.000 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.930 9.181 -0.375 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.327 7.812 -1.289 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.795 7.567 1.376 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.571 7.422 -0.189 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.700 5.591 -0.647 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.547 5.564 1.099 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.333 5.366 0.020 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.288 3.995 -0.297 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.723 4.080 1.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.141 3.469 1.902 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.469 5.046 2.438 1.00 10.00 H new ATOM 70 N ALA A 5 -5.164 7.500 -0.500 1.00 10.00 N ATOM 71 CA ALA A 5 -3.992 7.497 -1.351 1.00 10.00 C ATOM 72 C ALA A 5 -4.016 6.250 -2.245 1.00 10.00 C ATOM 73 O ALA A 5 -4.413 5.176 -1.785 1.00 10.00 O ATOM 74 CB ALA A 5 -2.766 7.487 -0.444 1.00 10.00 C ATOM 0 H ALA A 5 -5.252 6.639 0.039 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.970 8.376 -1.996 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.862 7.484 -1.054 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.774 8.374 0.189 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.784 6.595 0.182 1.00 10.00 H new ATOM 80 N GLU A 6 -3.567 6.374 -3.500 1.00 10.00 N ATOM 81 CA GLU A 6 -3.393 5.251 -4.404 1.00 10.00 C ATOM 82 C GLU A 6 -1.947 5.190 -4.845 1.00 10.00 C ATOM 83 O GLU A 6 -1.299 6.229 -5.005 1.00 10.00 O ATOM 84 CB GLU A 6 -4.281 5.364 -5.644 1.00 10.00 C ATOM 85 CG GLU A 6 -5.645 4.723 -5.398 1.00 10.00 C ATOM 86 CD GLU A 6 -6.249 4.154 -6.680 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.664 3.165 -7.175 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.274 4.702 -7.138 1.00 10.00 O ATOM 0 H GLU A 6 -3.314 7.272 -3.913 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.679 4.347 -3.866 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.410 6.413 -5.909 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.794 4.879 -6.490 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.544 3.927 -4.660 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.323 5.464 -4.976 1.00 10.00 H new ATOM 95 N PHE A 7 -1.486 3.957 -5.055 1.00 10.00 N ATOM 96 CA PHE A 7 -0.107 3.629 -5.349 1.00 10.00 C ATOM 97 C PHE A 7 -0.080 2.659 -6.525 1.00 10.00 C ATOM 98 O PHE A 7 -0.929 1.769 -6.611 1.00 10.00 O ATOM 99 CB PHE A 7 0.592 3.031 -4.115 1.00 10.00 C ATOM 100 CG PHE A 7 0.340 3.735 -2.803 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.911 3.591 -2.189 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.348 4.483 -2.168 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.221 4.331 -1.046 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.073 5.117 -0.943 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.209 5.031 -0.377 1.00 10.00 C ATOM 0 H PHE A 7 -2.091 3.136 -5.022 1.00 10.00 H new ATOM 0 HA PHE A 7 0.439 4.535 -5.614 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.278 1.992 -4.013 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.666 3.023 -4.299 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.637 2.906 -2.601 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.326 4.570 -2.618 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.236 4.363 -0.680 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.850 5.671 -0.437 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.414 5.504 0.572 1.00 10.00 H new ATOM 115 N ASP A 8 0.889 2.859 -7.417 1.00 10.00 N ATOM 116 CA ASP A 8 1.104 2.117 -8.642 1.00 10.00 C ATOM 117 C ASP A 8 2.163 1.049 -8.357 1.00 10.00 C ATOM 118 O ASP A 8 3.068 1.295 -7.551 1.00 10.00 O ATOM 119 CB ASP A 8 1.564 3.119 -9.708 1.00 10.00 C ATOM 120 CG ASP A 8 1.379 2.598 -11.122 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.290 1.362 -11.267 1.00 10.00 O ATOM 122 OD2 ASP A 8 1.300 3.464 -12.024 1.00 10.00 O ATOM 0 H ASP A 8 1.586 3.593 -7.288 1.00 10.00 H new ATOM 0 HA ASP A 8 0.204 1.618 -9.001 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.006 4.048 -9.592 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.616 3.356 -9.548 1.00 10.00 H new ATOM 127 N ILE A 9 1.999 -0.146 -8.933 1.00 10.00 N ATOM 128 CA ILE A 9 2.733 -1.347 -8.590 1.00 10.00 C ATOM 129 C ILE A 9 3.245 -2.031 -9.839 1.00 10.00 C ATOM 130 O ILE A 9 2.627 -2.009 -10.898 1.00 10.00 O ATOM 131 CB ILE A 9 1.837 -2.304 -7.786 1.00 10.00 C ATOM 132 CG1 ILE A 9 1.628 -1.702 -6.403 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.380 -3.714 -7.592 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.308 -0.972 -6.425 1.00 10.00 C ATOM 0 H ILE A 9 1.322 -0.299 -9.680 1.00 10.00 H new ATOM 0 HA ILE A 9 3.589 -1.067 -7.975 1.00 10.00 H new ATOM 0 HB ILE A 9 0.923 -2.409 -8.371 1.00 10.00 H new ATOM 0 HG12 ILE A 9 1.623 -2.482 -5.641 1.00 10.00 H new ATOM 0 HG13 ILE A 9 2.440 -1.019 -6.155 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.668 -4.302 -7.012 1.00 10.00 H new ATOM 0 HG22 ILE A 9 2.531 -4.183 -8.564 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.330 -3.668 -7.060 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.123 -0.526 -5.448 1.00 10.00 H new ATOM 0 HD12 ILE A 9 0.338 -0.188 -7.182 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -0.492 -1.674 -6.661 1.00 10.00 H new ATOM 146 N GLU A 10 4.390 -2.666 -9.631 1.00 10.00 N ATOM 147 CA GLU A 10 5.105 -3.489 -10.574 1.00 10.00 C ATOM 148 C GLU A 10 5.497 -4.759 -9.821 1.00 10.00 C ATOM 149 O GLU A 10 6.564 -4.786 -9.205 1.00 10.00 O ATOM 150 CB GLU A 10 6.344 -2.697 -11.025 1.00 10.00 C ATOM 151 CG GLU A 10 6.038 -1.742 -12.191 1.00 10.00 C ATOM 152 CD GLU A 10 6.397 -2.365 -13.535 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.617 -2.508 -13.771 1.00 10.00 O ATOM 154 OE2 GLU A 10 5.461 -2.687 -14.297 1.00 10.00 O ATOM 0 H GLU A 10 4.871 -2.610 -8.733 1.00 10.00 H new ATOM 0 HA GLU A 10 4.520 -3.752 -11.456 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.732 -2.125 -10.183 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.127 -3.393 -11.325 1.00 10.00 H new ATOM 0 HG2 GLU A 10 4.980 -1.482 -12.181 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.595 -0.815 -12.059 1.00 10.00 H new ATOM 161 N GLY A 11 4.652 -5.800 -9.827 1.00 10.00 N ATOM 162 CA GLY A 11 5.108 -7.100 -9.352 1.00 10.00 C ATOM 163 C GLY A 11 3.991 -7.993 -8.832 1.00 10.00 C ATOM 164 O GLY A 11 3.662 -9.004 -9.451 1.00 10.00 O ATOM 0 H GLY A 11 3.683 -5.766 -10.145 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.621 -7.613 -10.165 1.00 10.00 H new ATOM 0 HA3 GLY A 11 5.839 -6.950 -8.558 1.00 10.00 H new ATOM 168 N MET A 12 3.474 -7.696 -7.635 1.00 10.00 N ATOM 169 CA MET A 12 2.573 -8.623 -6.968 1.00 10.00 C ATOM 170 C MET A 12 1.197 -8.632 -7.637 1.00 10.00 C ATOM 171 O MET A 12 0.364 -7.751 -7.451 1.00 10.00 O ATOM 172 CB MET A 12 2.504 -8.403 -5.461 1.00 10.00 C ATOM 173 CG MET A 12 2.091 -6.991 -5.062 1.00 10.00 C ATOM 174 SD MET A 12 3.462 -5.873 -4.690 1.00 10.00 S ATOM 175 CE MET A 12 2.573 -4.443 -4.053 1.00 10.00 C ATOM 0 H MET A 12 3.663 -6.835 -7.121 1.00 10.00 H new ATOM 0 HA MET A 12 2.992 -9.622 -7.087 1.00 10.00 H new ATOM 0 HB2 MET A 12 1.797 -9.113 -5.032 1.00 10.00 H new ATOM 0 HB3 MET A 12 3.479 -8.622 -5.026 1.00 10.00 H new ATOM 0 HG2 MET A 12 1.498 -6.560 -5.869 1.00 10.00 H new ATOM 0 HG3 MET A 12 1.443 -7.051 -4.188 1.00 10.00 H new ATOM 0 HE1 MET A 12 3.090 -3.531 -4.350 1.00 10.00 H new ATOM 0 HE2 MET A 12 1.561 -4.434 -4.457 1.00 10.00 H new ATOM 0 HE3 MET A 12 2.529 -4.497 -2.965 1.00 10.00 H new ATOM 185 N THR A 13 0.977 -9.685 -8.406 1.00 10.00 N ATOM 186 CA THR A 13 -0.101 -9.794 -9.374 1.00 10.00 C ATOM 187 C THR A 13 -0.743 -11.174 -9.227 1.00 10.00 C ATOM 188 O THR A 13 -0.708 -12.006 -10.130 1.00 10.00 O ATOM 189 CB THR A 13 0.466 -9.417 -10.762 1.00 10.00 C ATOM 190 OG1 THR A 13 -0.553 -9.035 -11.659 1.00 10.00 O ATOM 191 CG2 THR A 13 1.406 -10.420 -11.439 1.00 10.00 C ATOM 0 H THR A 13 1.566 -10.517 -8.372 1.00 10.00 H new ATOM 0 HA THR A 13 -0.923 -9.097 -9.212 1.00 10.00 H new ATOM 0 HB THR A 13 1.108 -8.570 -10.519 1.00 10.00 H new ATOM 0 HG1 THR A 13 -0.273 -8.235 -12.151 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.726 -10.025 -12.403 1.00 10.00 H new ATOM 0 HG22 THR A 13 2.279 -10.585 -10.807 1.00 10.00 H new ATOM 0 HG23 THR A 13 0.883 -11.365 -11.589 1.00 10.00 H new ATOM 199 N CYS A 14 -1.298 -11.459 -8.040 1.00 10.00 N ATOM 200 CA CYS A 14 -2.020 -12.705 -7.806 1.00 10.00 C ATOM 201 C CYS A 14 -3.147 -12.412 -6.828 1.00 10.00 C ATOM 202 O CYS A 14 -4.246 -12.054 -7.237 1.00 10.00 O ATOM 203 CB CYS A 14 -1.072 -13.807 -7.295 1.00 10.00 C ATOM 204 SG CYS A 14 -0.484 -14.833 -8.663 1.00 10.00 S ATOM 0 H CYS A 14 -1.257 -10.839 -7.231 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.442 -13.084 -8.737 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.223 -13.354 -6.783 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.590 -14.429 -6.565 1.00 10.00 H new ATOM 0 HG CYS A 14 -0.381 -14.107 -9.737 1.00 10.00 H new ATOM 210 N ALA A 15 -2.862 -12.541 -5.530 1.00 10.00 N ATOM 211 CA ALA A 15 -3.835 -12.412 -4.456 1.00 10.00 C ATOM 212 C ALA A 15 -3.150 -12.638 -3.113 1.00 10.00 C ATOM 213 O ALA A 15 -3.398 -11.889 -2.178 1.00 10.00 O ATOM 214 CB ALA A 15 -5.003 -13.392 -4.623 1.00 10.00 C ATOM 0 H ALA A 15 -1.921 -12.744 -5.194 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.246 -11.403 -4.495 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.707 -13.263 -3.801 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.510 -13.196 -5.568 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.624 -14.414 -4.619 1.00 10.00 H new ATOM 220 N ALA A 16 -2.274 -13.644 -3.009 1.00 10.00 N ATOM 221 CA ALA A 16 -1.637 -14.013 -1.755 1.00 10.00 C ATOM 222 C ALA A 16 -0.580 -12.969 -1.420 1.00 10.00 C ATOM 223 O ALA A 16 -0.558 -12.410 -0.326 1.00 10.00 O ATOM 224 CB ALA A 16 -1.029 -15.412 -1.888 1.00 10.00 C ATOM 0 H ALA A 16 -1.991 -14.223 -3.800 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.364 -14.041 -0.943 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.551 -15.692 -0.949 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.815 -16.130 -2.122 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -0.288 -15.412 -2.687 1.00 10.00 H new ATOM 230 N CYS A 17 0.291 -12.683 -2.392 1.00 10.00 N ATOM 231 CA CYS A 17 1.307 -11.662 -2.214 1.00 10.00 C ATOM 232 C CYS A 17 0.633 -10.324 -1.910 1.00 10.00 C ATOM 233 O CYS A 17 0.915 -9.704 -0.889 1.00 10.00 O ATOM 234 CB CYS A 17 2.256 -11.585 -3.417 1.00 10.00 C ATOM 235 SG CYS A 17 3.540 -12.854 -3.265 1.00 10.00 S ATOM 0 H CYS A 17 0.307 -13.145 -3.301 1.00 10.00 H new ATOM 0 HA CYS A 17 1.935 -11.929 -1.364 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.698 -11.728 -4.342 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.713 -10.597 -3.469 1.00 10.00 H new ATOM 0 HG CYS A 17 4.340 -12.786 -4.287 1.00 10.00 H new ATOM 241 N ALA A 18 -0.316 -9.929 -2.763 1.00 10.00 N ATOM 242 CA ALA A 18 -1.206 -8.789 -2.554 1.00 10.00 C ATOM 243 C ALA A 18 -1.766 -8.768 -1.120 1.00 10.00 C ATOM 244 O ALA A 18 -1.645 -7.778 -0.408 1.00 10.00 O ATOM 245 CB ALA A 18 -2.317 -8.799 -3.607 1.00 10.00 C ATOM 0 H ALA A 18 -0.490 -10.411 -3.645 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.634 -7.869 -2.674 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.978 -7.947 -3.447 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.876 -8.734 -4.602 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.889 -9.723 -3.523 1.00 10.00 H new ATOM 251 N ASN A 19 -2.332 -9.883 -0.661 1.00 10.00 N ATOM 252 CA ASN A 19 -2.861 -9.994 0.708 1.00 10.00 C ATOM 253 C ASN A 19 -1.797 -9.688 1.771 1.00 10.00 C ATOM 254 O ASN A 19 -2.099 -9.126 2.824 1.00 10.00 O ATOM 255 CB ASN A 19 -3.482 -11.376 0.977 1.00 10.00 C ATOM 256 CG ASN A 19 -4.991 -11.400 0.751 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.756 -11.670 1.671 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.428 -11.160 -0.480 1.00 10.00 N ATOM 0 H ASN A 19 -2.439 -10.731 -1.218 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.645 -9.241 0.784 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.010 -12.114 0.328 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.268 -11.672 2.004 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.427 -11.197 -0.683 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.765 -10.938 -1.222 1.00 10.00 H new ATOM 265 N ARG A 20 -0.537 -10.056 1.527 1.00 10.00 N ATOM 266 CA ARG A 20 0.556 -9.742 2.434 1.00 10.00 C ATOM 267 C ARG A 20 0.666 -8.228 2.586 1.00 10.00 C ATOM 268 O ARG A 20 0.908 -7.730 3.686 1.00 10.00 O ATOM 269 CB ARG A 20 1.877 -10.301 1.888 1.00 10.00 C ATOM 270 CG ARG A 20 2.908 -10.528 3.002 1.00 10.00 C ATOM 271 CD ARG A 20 2.830 -11.957 3.571 1.00 10.00 C ATOM 272 NE ARG A 20 4.164 -12.563 3.741 1.00 10.00 N ATOM 273 CZ ARG A 20 4.998 -12.882 2.735 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.650 -12.608 1.472 1.00 10.00 N ATOM 275 NH2 ARG A 20 6.175 -13.461 2.994 1.00 10.00 N ATOM 0 H ARG A 20 -0.252 -10.577 0.698 1.00 10.00 H new ATOM 0 HA ARG A 20 0.356 -10.197 3.404 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.687 -11.242 1.372 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.286 -9.610 1.150 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.910 -10.346 2.613 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.742 -9.808 3.803 1.00 10.00 H new ATOM 0 HD2 ARG A 20 2.317 -11.936 4.533 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.232 -12.579 2.905 1.00 10.00 H new ATOM 0 HE ARG A 20 4.478 -12.754 4.693 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.755 -12.159 1.275 1.00 10.00 H new ATOM 0 HH12 ARG A 20 5.279 -12.848 0.706 1.00 10.00 H new ATOM 0 HH21 ARG A 20 6.443 -13.662 3.957 1.00 10.00 H new ATOM 0 HH22 ARG A 20 6.805 -13.701 2.228 1.00 10.00 H new ATOM 289 N ILE A 21 0.506 -7.509 1.468 1.00 10.00 N ATOM 290 CA ILE A 21 0.621 -6.062 1.421 1.00 10.00 C ATOM 291 C ILE A 21 -0.315 -5.463 2.458 1.00 10.00 C ATOM 292 O ILE A 21 0.133 -4.653 3.260 1.00 10.00 O ATOM 293 CB ILE A 21 0.318 -5.498 0.021 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.026 -6.248 -1.110 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.654 -4.008 -0.042 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.537 -6.374 -0.930 1.00 10.00 C ATOM 0 H ILE A 21 0.291 -7.929 0.564 1.00 10.00 H new ATOM 0 HA ILE A 21 1.652 -5.789 1.646 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.751 -5.642 -0.136 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.597 -7.247 -1.192 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.825 -5.736 -2.051 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.433 -3.627 -1.039 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.056 -3.469 0.693 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.712 -3.864 0.175 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.960 -6.918 -1.775 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.982 -5.380 -0.879 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.750 -6.914 -0.007 1.00 10.00 H new ATOM 308 N GLU A 22 -1.579 -5.896 2.471 1.00 10.00 N ATOM 309 CA GLU A 22 -2.586 -5.412 3.404 1.00 10.00 C ATOM 310 C GLU A 22 -2.032 -5.360 4.829 1.00 10.00 C ATOM 311 O GLU A 22 -2.017 -4.302 5.449 1.00 10.00 O ATOM 312 CB GLU A 22 -3.846 -6.286 3.342 1.00 10.00 C ATOM 313 CG GLU A 22 -4.418 -6.383 1.923 1.00 10.00 C ATOM 314 CD GLU A 22 -5.776 -7.066 1.926 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.844 -8.165 2.517 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.712 -6.472 1.350 1.00 10.00 O ATOM 0 H GLU A 22 -1.930 -6.601 1.823 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.858 -4.398 3.112 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.610 -7.286 3.705 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.604 -5.875 4.009 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.511 -5.384 1.496 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.729 -6.939 1.287 1.00 10.00 H new ATOM 323 N LYS A 23 -1.535 -6.487 5.346 1.00 10.00 N ATOM 324 CA LYS A 23 -0.973 -6.562 6.684 1.00 10.00 C ATOM 325 C LYS A 23 0.305 -5.734 6.790 1.00 10.00 C ATOM 326 O LYS A 23 0.492 -5.001 7.763 1.00 10.00 O ATOM 327 CB LYS A 23 -0.737 -8.030 7.072 1.00 10.00 C ATOM 328 CG LYS A 23 -1.897 -8.513 7.951 1.00 10.00 C ATOM 329 CD LYS A 23 -1.762 -9.978 8.385 1.00 10.00 C ATOM 330 CE LYS A 23 -1.909 -10.936 7.192 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.268 -12.304 7.623 1.00 10.00 N ATOM 0 H LYS A 23 -1.514 -7.373 4.841 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.686 -6.136 7.390 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.662 -8.647 6.177 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.207 -8.130 7.608 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.958 -7.883 8.838 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.833 -8.388 7.406 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.792 -10.130 8.858 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.521 -10.208 9.133 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.674 -10.557 6.514 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -0.974 -10.965 6.633 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.357 -12.919 6.789 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.526 -12.677 8.249 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.173 -12.281 8.134 1.00 10.00 H new ATOM 345 N ARG A 24 1.189 -5.844 5.794 1.00 10.00 N ATOM 346 CA ARG A 24 2.428 -5.079 5.785 1.00 10.00 C ATOM 347 C ARG A 24 2.158 -3.570 5.875 1.00 10.00 C ATOM 348 O ARG A 24 2.971 -2.832 6.422 1.00 10.00 O ATOM 349 CB ARG A 24 3.263 -5.417 4.543 1.00 10.00 C ATOM 350 CG ARG A 24 4.755 -5.241 4.851 1.00 10.00 C ATOM 351 CD ARG A 24 5.385 -6.546 5.343 1.00 10.00 C ATOM 352 NE ARG A 24 6.779 -6.330 5.763 1.00 10.00 N ATOM 353 CZ ARG A 24 7.182 -6.057 7.016 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.279 -5.919 7.993 1.00 10.00 N ATOM 355 NH2 ARG A 24 8.484 -5.925 7.288 1.00 10.00 N ATOM 0 H ARG A 24 1.065 -6.456 4.987 1.00 10.00 H new ATOM 0 HA ARG A 24 3.001 -5.360 6.669 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.066 -6.442 4.230 1.00 10.00 H new ATOM 0 HB3 ARG A 24 2.975 -4.770 3.714 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.275 -4.900 3.955 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.882 -4.467 5.607 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.807 -6.942 6.178 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.351 -7.293 4.550 1.00 10.00 H new ATOM 0 HE ARG A 24 7.499 -6.393 5.043 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.285 -6.021 7.787 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.584 -5.712 8.944 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.174 -6.031 6.544 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.788 -5.718 8.239 1.00 10.00 H new ATOM 369 N LEU A 25 1.025 -3.124 5.336 1.00 10.00 N ATOM 370 CA LEU A 25 0.538 -1.757 5.408 1.00 10.00 C ATOM 371 C LEU A 25 -0.221 -1.501 6.712 1.00 10.00 C ATOM 372 O LEU A 25 -0.086 -0.438 7.306 1.00 10.00 O ATOM 373 CB LEU A 25 -0.335 -1.486 4.175 1.00 10.00 C ATOM 374 CG LEU A 25 0.397 -0.558 3.197 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.024 -0.822 1.750 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.032 0.869 3.604 1.00 10.00 C ATOM 0 H LEU A 25 0.397 -3.736 4.815 1.00 10.00 H new ATOM 0 HA LEU A 25 1.382 -1.067 5.409 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.580 -2.426 3.681 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.278 -1.032 4.481 1.00 10.00 H new ATOM 0 HG LEU A 25 1.473 -0.728 3.243 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.515 -0.147 1.085 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.209 -1.853 1.486 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.096 -0.654 1.647 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.528 1.575 2.938 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.048 1.002 3.535 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.355 1.049 4.629 1.00 10.00 H new ATOM 388 N ASN A 26 -1.001 -2.472 7.184 1.00 10.00 N ATOM 389 CA ASN A 26 -1.762 -2.371 8.429 1.00 10.00 C ATOM 390 C ASN A 26 -0.804 -2.158 9.607 1.00 10.00 C ATOM 391 O ASN A 26 -1.151 -1.560 10.616 1.00 10.00 O ATOM 392 CB ASN A 26 -2.636 -3.620 8.610 1.00 10.00 C ATOM 393 CG ASN A 26 -3.812 -3.415 9.563 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.769 -2.612 10.484 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.897 -4.155 9.349 1.00 10.00 N ATOM 0 H ASN A 26 -1.124 -3.364 6.706 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.429 -1.510 8.388 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.018 -3.929 7.637 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.016 -4.435 8.983 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.709 -4.057 9.958 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.916 -4.820 8.576 1.00 10.00 H new ATOM 402 N LYS A 27 0.438 -2.632 9.464 1.00 10.00 N ATOM 403 CA LYS A 27 1.517 -2.293 10.382 1.00 10.00 C ATOM 404 C LYS A 27 1.677 -0.789 10.630 1.00 10.00 C ATOM 405 O LYS A 27 2.061 -0.412 11.734 1.00 10.00 O ATOM 406 CB LYS A 27 2.841 -2.869 9.868 1.00 10.00 C ATOM 407 CG LYS A 27 3.073 -4.336 10.242 1.00 10.00 C ATOM 408 CD LYS A 27 3.115 -4.500 11.770 1.00 10.00 C ATOM 409 CE LYS A 27 1.824 -5.158 12.288 1.00 10.00 C ATOM 410 NZ LYS A 27 1.578 -4.832 13.709 1.00 10.00 N ATOM 0 H LYS A 27 0.717 -3.259 8.710 1.00 10.00 H new ATOM 0 HA LYS A 27 1.246 -2.737 11.340 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.869 -2.773 8.783 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.662 -2.271 10.262 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.278 -4.954 9.825 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.009 -4.685 9.807 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.975 -5.107 12.051 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.245 -3.526 12.241 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.979 -4.825 11.686 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.893 -6.239 12.169 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 0.700 -5.292 14.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.374 -5.172 14.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.487 -3.802 13.818 1.00 10.00 H new ATOM 424 N ILE A 28 1.455 0.052 9.620 1.00 10.00 N ATOM 425 CA ILE A 28 1.612 1.492 9.771 1.00 10.00 C ATOM 426 C ILE A 28 0.608 2.007 10.806 1.00 10.00 C ATOM 427 O ILE A 28 -0.585 1.763 10.673 1.00 10.00 O ATOM 428 CB ILE A 28 1.425 2.186 8.409 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.385 1.676 7.318 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.559 3.706 8.558 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.821 1.484 7.796 1.00 10.00 C ATOM 0 H ILE A 28 1.165 -0.244 8.688 1.00 10.00 H new ATOM 0 HA ILE A 28 2.617 1.721 10.125 1.00 10.00 H new ATOM 0 HB ILE A 28 0.418 1.932 8.078 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.011 0.727 6.934 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.381 2.381 6.486 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.424 4.180 7.586 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.800 4.072 9.249 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.549 3.948 8.945 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.434 1.123 6.970 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.216 2.435 8.153 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.840 0.756 8.607 1.00 10.00 H new ATOM 443 N GLU A 29 1.080 2.735 11.822 1.00 10.00 N ATOM 444 CA GLU A 29 0.218 3.271 12.869 1.00 10.00 C ATOM 445 C GLU A 29 -0.909 4.142 12.300 1.00 10.00 C ATOM 446 O GLU A 29 -2.083 3.857 12.530 1.00 10.00 O ATOM 447 CB GLU A 29 1.055 4.023 13.920 1.00 10.00 C ATOM 448 CG GLU A 29 1.305 3.181 15.182 1.00 10.00 C ATOM 449 CD GLU A 29 0.123 3.225 16.148 1.00 10.00 C ATOM 450 OE1 GLU A 29 -0.945 2.697 15.771 1.00 10.00 O ATOM 451 OE2 GLU A 29 0.304 3.788 17.248 1.00 10.00 O ATOM 0 H GLU A 29 2.067 2.966 11.938 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.270 2.431 13.364 1.00 10.00 H new ATOM 0 HB2 GLU A 29 2.011 4.309 13.482 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.543 4.944 14.197 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.499 2.148 14.895 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.199 3.544 15.688 1.00 10.00 H new ATOM 458 N GLY A 30 -0.608 5.208 11.544 1.00 10.00 N ATOM 459 CA GLY A 30 -1.634 6.162 11.159 1.00 10.00 C ATOM 460 C GLY A 30 -2.421 5.693 9.944 1.00 10.00 C ATOM 461 O GLY A 30 -2.662 6.480 9.034 1.00 10.00 O ATOM 0 H GLY A 30 0.327 5.421 11.196 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.316 6.318 11.995 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.171 7.125 10.942 1.00 10.00 H new ATOM 465 N VAL A 31 -2.808 4.422 9.904 1.00 10.00 N ATOM 466 CA VAL A 31 -3.505 3.810 8.796 1.00 10.00 C ATOM 467 C VAL A 31 -4.954 3.562 9.208 1.00 10.00 C ATOM 468 O VAL A 31 -5.235 3.352 10.386 1.00 10.00 O ATOM 469 CB VAL A 31 -2.741 2.533 8.425 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.141 1.327 9.282 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.880 2.227 6.939 1.00 10.00 C ATOM 0 H VAL A 31 -2.635 3.774 10.672 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.540 4.446 7.912 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.690 2.725 8.640 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.567 0.454 8.972 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.937 1.542 10.331 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.205 1.126 9.153 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.329 1.317 6.702 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.933 2.088 6.693 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.478 3.056 6.358 1.00 10.00 H new ATOM 481 N ALA A 32 -5.878 3.596 8.246 1.00 10.00 N ATOM 482 CA ALA A 32 -7.265 3.208 8.467 1.00 10.00 C ATOM 483 C ALA A 32 -7.516 1.865 7.802 1.00 10.00 C ATOM 484 O ALA A 32 -7.934 0.907 8.445 1.00 10.00 O ATOM 485 CB ALA A 32 -8.214 4.261 7.893 1.00 10.00 C ATOM 0 H ALA A 32 -5.681 3.895 7.291 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.450 3.129 9.538 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.245 3.955 8.067 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.033 5.219 8.381 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.041 4.361 6.821 1.00 10.00 H new ATOM 491 N ASN A 33 -7.286 1.823 6.488 1.00 10.00 N ATOM 492 CA ASN A 33 -7.716 0.744 5.617 1.00 10.00 C ATOM 493 C ASN A 33 -6.634 0.575 4.556 1.00 10.00 C ATOM 494 O ASN A 33 -6.103 1.577 4.084 1.00 10.00 O ATOM 495 CB ASN A 33 -9.055 1.115 4.946 1.00 10.00 C ATOM 496 CG ASN A 33 -10.169 1.477 5.927 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.552 0.657 6.752 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.728 2.685 5.845 1.00 10.00 N ATOM 0 H ASN A 33 -6.782 2.560 5.995 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.862 -0.179 6.178 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.890 1.957 4.274 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.385 0.277 4.332 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.488 2.939 6.476 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.395 3.355 5.151 1.00 10.00 H new ATOM 505 N ALA A 34 -6.317 -0.660 4.161 1.00 10.00 N ATOM 506 CA ALA A 34 -5.418 -0.932 3.041 1.00 10.00 C ATOM 507 C ALA A 34 -5.986 -2.008 2.105 1.00 10.00 C ATOM 508 O ALA A 34 -5.352 -3.043 1.925 1.00 10.00 O ATOM 509 CB ALA A 34 -4.036 -1.309 3.586 1.00 10.00 C ATOM 0 H ALA A 34 -6.678 -1.501 4.611 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.319 -0.031 2.435 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.361 -1.513 2.755 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.642 -0.484 4.180 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.121 -2.198 4.211 1.00 10.00 H new ATOM 515 N PRO A 35 -7.169 -1.792 1.507 1.00 10.00 N ATOM 516 CA PRO A 35 -7.806 -2.759 0.627 1.00 10.00 C ATOM 517 C PRO A 35 -7.115 -2.729 -0.739 1.00 10.00 C ATOM 518 O PRO A 35 -7.576 -2.057 -1.660 1.00 10.00 O ATOM 519 CB PRO A 35 -9.268 -2.306 0.551 1.00 10.00 C ATOM 520 CG PRO A 35 -9.168 -0.784 0.675 1.00 10.00 C ATOM 521 CD PRO A 35 -8.003 -0.610 1.650 1.00 10.00 C ATOM 0 HA PRO A 35 -7.738 -3.788 0.980 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.734 -2.604 -0.388 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.866 -2.737 1.354 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.968 -0.310 -0.286 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.089 -0.346 1.060 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.438 0.294 1.423 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.364 -0.511 2.674 1.00 10.00 H new ATOM 529 N VAL A 36 -5.987 -3.427 -0.876 1.00 10.00 N ATOM 530 CA VAL A 36 -5.241 -3.416 -2.123 1.00 10.00 C ATOM 531 C VAL A 36 -5.984 -4.200 -3.204 1.00 10.00 C ATOM 532 O VAL A 36 -6.701 -5.155 -2.903 1.00 10.00 O ATOM 533 CB VAL A 36 -3.816 -3.940 -1.906 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.204 -3.343 -0.632 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.748 -5.467 -1.853 1.00 10.00 C ATOM 0 H VAL A 36 -5.576 -4.002 -0.140 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.157 -2.387 -2.472 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.235 -3.620 -2.771 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.193 -3.729 -0.498 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.169 -2.257 -0.719 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.814 -3.618 0.228 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.716 -5.780 -1.698 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.365 -5.830 -1.031 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.115 -5.880 -2.792 1.00 10.00 H new ATOM 545 N ASN A 37 -5.789 -3.831 -4.472 1.00 10.00 N ATOM 546 CA ASN A 37 -6.416 -4.565 -5.564 1.00 10.00 C ATOM 547 C ASN A 37 -5.540 -5.750 -5.973 1.00 10.00 C ATOM 548 O ASN A 37 -4.317 -5.638 -5.996 1.00 10.00 O ATOM 549 CB ASN A 37 -6.676 -3.651 -6.758 1.00 10.00 C ATOM 550 CG ASN A 37 -7.640 -2.517 -6.418 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.775 -2.762 -6.020 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.211 -1.273 -6.592 1.00 10.00 N ATOM 0 H ASN A 37 -5.211 -3.042 -4.761 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.377 -4.943 -5.217 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.732 -3.231 -7.104 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.084 -4.238 -7.581 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.831 -0.487 -6.394 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.262 -1.103 -6.924 1.00 10.00 H new ATOM 559 N PHE A 38 -6.170 -6.878 -6.318 1.00 10.00 N ATOM 560 CA PHE A 38 -5.517 -8.145 -6.637 1.00 10.00 C ATOM 561 C PHE A 38 -5.882 -8.581 -8.060 1.00 10.00 C ATOM 562 O PHE A 38 -6.342 -9.694 -8.291 1.00 10.00 O ATOM 563 CB PHE A 38 -5.892 -9.189 -5.573 1.00 10.00 C ATOM 564 CG PHE A 38 -7.355 -9.203 -5.164 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.808 -8.346 -4.141 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.268 -10.054 -5.815 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.168 -8.320 -3.792 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.628 -10.034 -5.458 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.079 -9.165 -4.449 1.00 10.00 C ATOM 0 H PHE A 38 -7.186 -6.932 -6.384 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.433 -8.033 -6.616 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.627 -10.177 -5.949 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.285 -9.012 -4.685 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.107 -7.707 -3.624 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.924 -10.723 -6.590 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.514 -7.650 -3.018 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.327 -10.687 -5.960 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.125 -9.147 -4.179 1.00 10.00 H new ATOM 579 N ALA A 39 -5.668 -7.676 -9.015 1.00 10.00 N ATOM 580 CA ALA A 39 -5.905 -7.877 -10.441 1.00 10.00 C ATOM 581 C ALA A 39 -5.439 -6.635 -11.194 1.00 10.00 C ATOM 582 O ALA A 39 -4.822 -6.720 -12.250 1.00 10.00 O ATOM 583 CB ALA A 39 -7.397 -8.107 -10.711 1.00 10.00 C ATOM 0 H ALA A 39 -5.310 -6.744 -8.805 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.353 -8.754 -10.777 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.555 -8.255 -11.779 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.733 -8.991 -10.169 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.965 -7.239 -10.377 1.00 10.00 H new ATOM 589 N LEU A 40 -5.766 -5.469 -10.633 1.00 10.00 N ATOM 590 CA LEU A 40 -5.555 -4.175 -11.263 1.00 10.00 C ATOM 591 C LEU A 40 -4.094 -3.708 -11.116 1.00 10.00 C ATOM 592 O LEU A 40 -3.651 -2.841 -11.861 1.00 10.00 O ATOM 593 CB LEU A 40 -6.530 -3.157 -10.648 1.00 10.00 C ATOM 594 CG LEU A 40 -7.967 -3.664 -10.402 1.00 10.00 C ATOM 595 CD1 LEU A 40 -8.846 -2.496 -9.949 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.593 -4.343 -11.624 1.00 10.00 C ATOM 0 H LEU A 40 -6.193 -5.402 -9.709 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.750 -4.262 -12.332 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.118 -2.816 -9.698 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.579 -2.288 -11.304 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.906 -4.426 -9.625 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.862 -2.851 -9.775 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.445 -2.075 -9.027 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.858 -1.728 -10.723 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.602 -4.674 -11.379 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.634 -3.635 -12.452 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.989 -5.203 -11.912 1.00 10.00 H new ATOM 608 N GLU A 41 -3.377 -4.263 -10.130 1.00 10.00 N ATOM 609 CA GLU A 41 -2.033 -3.865 -9.705 1.00 10.00 C ATOM 610 C GLU A 41 -2.032 -2.402 -9.267 1.00 10.00 C ATOM 611 O GLU A 41 -1.180 -1.602 -9.646 1.00 10.00 O ATOM 612 CB GLU A 41 -0.923 -4.233 -10.714 1.00 10.00 C ATOM 613 CG GLU A 41 -0.587 -5.732 -10.649 1.00 10.00 C ATOM 614 CD GLU A 41 0.737 -6.088 -11.323 1.00 10.00 C ATOM 615 OE1 GLU A 41 1.807 -5.779 -10.742 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.644 -6.774 -12.366 1.00 10.00 O ATOM 0 H GLU A 41 -3.740 -5.042 -9.580 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.769 -4.461 -8.831 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.244 -3.973 -11.723 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.028 -3.648 -10.504 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.550 -6.043 -9.605 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.390 -6.297 -11.122 1.00 10.00 H new ATOM 623 N THR A 42 -2.994 -2.085 -8.403 1.00 10.00 N ATOM 624 CA THR A 42 -3.124 -0.810 -7.737 1.00 10.00 C ATOM 625 C THR A 42 -3.421 -1.059 -6.261 1.00 10.00 C ATOM 626 O THR A 42 -4.432 -1.660 -5.892 1.00 10.00 O ATOM 627 CB THR A 42 -4.210 0.031 -8.410 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.393 -0.720 -8.597 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.710 0.548 -9.759 1.00 10.00 C ATOM 0 H THR A 42 -3.729 -2.743 -8.144 1.00 10.00 H new ATOM 0 HA THR A 42 -2.195 -0.244 -7.812 1.00 10.00 H new ATOM 0 HB THR A 42 -4.437 0.874 -7.758 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.072 -0.159 -9.027 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.490 1.146 -10.231 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.823 1.163 -9.607 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.460 -0.296 -10.402 1.00 10.00 H new ATOM 637 N VAL A 43 -2.511 -0.616 -5.403 1.00 10.00 N ATOM 638 CA VAL A 43 -2.716 -0.611 -3.967 1.00 10.00 C ATOM 639 C VAL A 43 -3.456 0.684 -3.645 1.00 10.00 C ATOM 640 O VAL A 43 -3.065 1.756 -4.105 1.00 10.00 O ATOM 641 CB VAL A 43 -1.359 -0.732 -3.262 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.366 -0.301 -1.794 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.762 -2.140 -3.386 1.00 10.00 C ATOM 0 H VAL A 43 -1.604 -0.248 -5.690 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.311 -1.454 -3.616 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.724 -0.024 -3.794 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.367 -0.420 -1.375 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.668 0.744 -1.723 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.069 -0.920 -1.236 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.198 -2.175 -2.871 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.441 -2.864 -2.936 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.618 -2.383 -4.439 1.00 10.00 H new ATOM 653 N THR A 44 -4.529 0.568 -2.867 1.00 10.00 N ATOM 654 CA THR A 44 -5.288 1.669 -2.306 1.00 10.00 C ATOM 655 C THR A 44 -5.024 1.639 -0.803 1.00 10.00 C ATOM 656 O THR A 44 -5.263 0.605 -0.180 1.00 10.00 O ATOM 657 CB THR A 44 -6.774 1.429 -2.620 1.00 10.00 C ATOM 658 OG1 THR A 44 -7.019 1.631 -3.996 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.698 2.362 -1.840 1.00 10.00 C ATOM 0 H THR A 44 -4.906 -0.342 -2.601 1.00 10.00 H new ATOM 0 HA THR A 44 -5.008 2.640 -2.715 1.00 10.00 H new ATOM 0 HB THR A 44 -6.986 0.401 -2.327 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.968 1.474 -4.186 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.735 2.149 -2.100 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.553 2.207 -0.771 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.466 3.397 -2.091 1.00 10.00 H new ATOM 667 N VAL A 45 -4.536 2.740 -0.220 1.00 10.00 N ATOM 668 CA VAL A 45 -4.425 2.876 1.226 1.00 10.00 C ATOM 669 C VAL A 45 -5.224 4.097 1.644 1.00 10.00 C ATOM 670 O VAL A 45 -5.288 5.088 0.922 1.00 10.00 O ATOM 671 CB VAL A 45 -2.963 3.005 1.677 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.840 3.002 3.205 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.123 1.868 1.093 1.00 10.00 C ATOM 0 H VAL A 45 -4.210 3.555 -0.740 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.819 1.979 1.704 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.591 3.960 1.307 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.791 3.095 3.486 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.402 3.841 3.617 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.240 2.068 3.600 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.089 1.973 1.422 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.517 0.911 1.436 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.163 1.908 0.004 1.00 10.00 H new ATOM 683 N GLU A 46 -5.818 4.022 2.826 1.00 10.00 N ATOM 684 CA GLU A 46 -6.378 5.153 3.514 1.00 10.00 C ATOM 685 C GLU A 46 -5.513 5.373 4.751 1.00 10.00 C ATOM 686 O GLU A 46 -5.478 4.499 5.621 1.00 10.00 O ATOM 687 CB GLU A 46 -7.820 4.820 3.860 1.00 10.00 C ATOM 688 CG GLU A 46 -8.599 6.096 4.167 1.00 10.00 C ATOM 689 CD GLU A 46 -9.915 5.738 4.811 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.586 4.866 4.208 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.184 6.286 5.899 1.00 10.00 O ATOM 0 H GLU A 46 -5.921 3.146 3.338 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.386 6.067 2.920 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.288 4.291 3.029 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.850 4.152 4.721 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.020 6.738 4.831 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.772 6.659 3.250 1.00 10.00 H new ATOM 698 N TYR A 47 -4.783 6.491 4.813 1.00 10.00 N ATOM 699 CA TYR A 47 -3.874 6.785 5.909 1.00 10.00 C ATOM 700 C TYR A 47 -3.911 8.264 6.256 1.00 10.00 C ATOM 701 O TYR A 47 -4.275 9.090 5.426 1.00 10.00 O ATOM 702 CB TYR A 47 -2.450 6.329 5.573 1.00 10.00 C ATOM 703 CG TYR A 47 -1.687 7.204 4.585 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.077 8.394 5.027 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.594 6.853 3.227 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.502 9.290 4.115 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.945 7.719 2.325 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.472 8.966 2.754 1.00 10.00 C ATOM 709 OH TYR A 47 0.009 9.857 1.843 1.00 10.00 O ATOM 0 H TYR A 47 -4.811 7.217 4.097 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.203 6.227 6.786 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.878 6.276 6.499 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.499 5.317 5.170 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.052 8.619 6.083 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.018 5.924 2.877 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -0.085 10.224 4.461 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -0.811 7.420 1.296 1.00 10.00 H new ATOM 0 HH TYR A 47 -0.043 9.467 0.945 1.00 10.00 H new ATOM 719 N ASN A 48 -3.529 8.597 7.485 1.00 10.00 N ATOM 720 CA ASN A 48 -3.454 9.979 7.947 1.00 10.00 C ATOM 721 C ASN A 48 -2.039 10.508 7.740 1.00 10.00 C ATOM 722 O ASN A 48 -1.094 9.877 8.215 1.00 10.00 O ATOM 723 CB ASN A 48 -3.921 10.150 9.402 1.00 10.00 C ATOM 724 CG ASN A 48 -3.092 9.456 10.488 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.945 9.802 10.769 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.712 8.516 11.196 1.00 10.00 N ATOM 0 H ASN A 48 -3.261 7.912 8.192 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.147 10.571 7.349 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.946 11.216 9.626 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.945 9.785 9.473 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.237 8.073 11.982 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.663 8.238 10.953 1.00 10.00 H new ATOM 733 N PRO A 49 -1.855 11.647 7.050 1.00 10.00 N ATOM 734 CA PRO A 49 -0.551 12.269 6.909 1.00 10.00 C ATOM 735 C PRO A 49 -0.176 12.945 8.235 1.00 10.00 C ATOM 736 O PRO A 49 -0.037 14.163 8.306 1.00 10.00 O ATOM 737 CB PRO A 49 -0.711 13.257 5.746 1.00 10.00 C ATOM 738 CG PRO A 49 -2.173 13.689 5.858 1.00 10.00 C ATOM 739 CD PRO A 49 -2.870 12.417 6.340 1.00 10.00 C ATOM 0 HA PRO A 49 0.257 11.570 6.693 1.00 10.00 H new ATOM 0 HB2 PRO A 49 -0.032 14.104 5.840 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.502 12.786 4.785 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.298 14.510 6.564 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.568 14.028 4.901 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.708 12.656 6.995 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.273 11.851 5.500 1.00 10.00 H new ATOM 747 N LYS A 50 -0.026 12.144 9.295 1.00 10.00 N ATOM 748 CA LYS A 50 0.434 12.591 10.600 1.00 10.00 C ATOM 749 C LYS A 50 1.452 11.554 11.044 1.00 10.00 C ATOM 750 O LYS A 50 2.598 11.886 11.333 1.00 10.00 O ATOM 751 CB LYS A 50 -0.766 12.760 11.563 1.00 10.00 C ATOM 752 CG LYS A 50 -0.496 12.275 13.000 1.00 10.00 C ATOM 753 CD LYS A 50 -1.714 12.415 13.926 1.00 10.00 C ATOM 754 CE LYS A 50 -1.889 11.102 14.711 1.00 10.00 C ATOM 755 NZ LYS A 50 -2.834 11.227 15.839 1.00 10.00 N ATOM 0 H LYS A 50 -0.228 11.145 9.261 1.00 10.00 H new ATOM 0 HA LYS A 50 0.905 13.574 10.581 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -1.047 13.813 11.594 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.619 12.214 11.161 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.188 11.230 12.972 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.336 12.842 13.417 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -1.573 13.250 14.612 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.610 12.629 13.343 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.241 10.324 14.034 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -0.919 10.780 15.090 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -2.911 10.313 16.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -2.488 11.949 16.503 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.769 11.507 15.479 1.00 10.00 H new ATOM 769 N GLU A 51 1.002 10.298 11.095 1.00 10.00 N ATOM 770 CA GLU A 51 1.801 9.173 11.537 1.00 10.00 C ATOM 771 C GLU A 51 2.290 8.405 10.304 1.00 10.00 C ATOM 772 O GLU A 51 3.480 8.158 10.130 1.00 10.00 O ATOM 773 CB GLU A 51 0.933 8.326 12.488 1.00 10.00 C ATOM 774 CG GLU A 51 1.568 8.214 13.879 1.00 10.00 C ATOM 775 CD GLU A 51 2.902 7.481 13.829 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.980 6.524 13.030 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.808 7.904 14.576 1.00 10.00 O ATOM 0 H GLU A 51 0.054 10.039 10.823 1.00 10.00 H new ATOM 0 HA GLU A 51 2.690 9.480 12.088 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.057 8.773 12.574 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.797 7.330 12.068 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.715 9.211 14.294 1.00 10.00 H new ATOM 0 HG3 GLU A 51 0.888 7.688 14.549 1.00 10.00 H new ATOM 784 N ALA A 52 1.358 8.066 9.412 1.00 10.00 N ATOM 785 CA ALA A 52 1.631 7.284 8.226 1.00 10.00 C ATOM 786 C ALA A 52 2.193 8.165 7.117 1.00 10.00 C ATOM 787 O ALA A 52 1.695 9.263 6.869 1.00 10.00 O ATOM 788 CB ALA A 52 0.320 6.655 7.776 1.00 10.00 C ATOM 0 H ALA A 52 0.379 8.336 9.504 1.00 10.00 H new ATOM 0 HA ALA A 52 2.372 6.516 8.448 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.492 6.057 6.881 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -0.069 6.017 8.570 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.403 7.440 7.555 1.00 10.00 H new ATOM 794 N SER A 53 3.211 7.654 6.425 1.00 10.00 N ATOM 795 CA SER A 53 3.844 8.307 5.295 1.00 10.00 C ATOM 796 C SER A 53 3.983 7.343 4.113 1.00 10.00 C ATOM 797 O SER A 53 4.218 6.143 4.267 1.00 10.00 O ATOM 798 CB SER A 53 5.198 8.869 5.734 1.00 10.00 C ATOM 799 OG SER A 53 5.906 7.897 6.476 1.00 10.00 O ATOM 0 H SER A 53 3.625 6.748 6.647 1.00 10.00 H new ATOM 0 HA SER A 53 3.219 9.133 4.954 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.778 9.166 4.860 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.051 9.764 6.338 1.00 10.00 H new ATOM 0 HG SER A 53 6.772 8.263 6.752 1.00 10.00 H new ATOM 805 N VAL A 54 3.850 7.908 2.911 1.00 10.00 N ATOM 806 CA VAL A 54 4.046 7.229 1.636 1.00 10.00 C ATOM 807 C VAL A 54 5.360 6.448 1.646 1.00 10.00 C ATOM 808 O VAL A 54 5.409 5.286 1.248 1.00 10.00 O ATOM 809 CB VAL A 54 4.044 8.279 0.510 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.327 7.660 -0.867 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.700 9.014 0.467 1.00 10.00 C ATOM 0 H VAL A 54 3.593 8.889 2.799 1.00 10.00 H new ATOM 0 HA VAL A 54 3.237 6.518 1.469 1.00 10.00 H new ATOM 0 HB VAL A 54 4.847 8.982 0.734 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.315 8.442 -1.627 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.306 7.180 -0.856 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.562 6.919 -1.097 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.715 9.753 -0.334 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.899 8.297 0.285 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.529 9.515 1.420 1.00 10.00 H new ATOM 821 N SER A 55 6.433 7.107 2.083 1.00 10.00 N ATOM 822 CA SER A 55 7.767 6.553 2.169 1.00 10.00 C ATOM 823 C SER A 55 7.790 5.280 3.017 1.00 10.00 C ATOM 824 O SER A 55 8.444 4.311 2.623 1.00 10.00 O ATOM 825 CB SER A 55 8.693 7.638 2.733 1.00 10.00 C ATOM 826 OG SER A 55 7.946 8.537 3.538 1.00 10.00 O ATOM 0 H SER A 55 6.386 8.077 2.396 1.00 10.00 H new ATOM 0 HA SER A 55 8.115 6.257 1.179 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.487 7.181 3.323 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.173 8.179 1.918 1.00 10.00 H new ATOM 0 HG SER A 55 8.542 9.227 3.897 1.00 10.00 H new ATOM 832 N ASP A 56 7.102 5.285 4.161 1.00 10.00 N ATOM 833 CA ASP A 56 7.092 4.160 5.082 1.00 10.00 C ATOM 834 C ASP A 56 6.424 2.961 4.408 1.00 10.00 C ATOM 835 O ASP A 56 7.030 1.906 4.216 1.00 10.00 O ATOM 836 CB ASP A 56 6.375 4.586 6.370 1.00 10.00 C ATOM 837 CG ASP A 56 6.479 3.558 7.485 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.844 2.404 7.181 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.174 3.949 8.630 1.00 10.00 O ATOM 0 H ASP A 56 6.536 6.075 4.470 1.00 10.00 H new ATOM 0 HA ASP A 56 8.105 3.858 5.347 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.795 5.530 6.716 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.323 4.767 6.149 1.00 10.00 H new ATOM 844 N LEU A 57 5.190 3.143 3.938 1.00 10.00 N ATOM 845 CA LEU A 57 4.457 2.030 3.353 1.00 10.00 C ATOM 846 C LEU A 57 5.126 1.539 2.060 1.00 10.00 C ATOM 847 O LEU A 57 5.280 0.332 1.862 1.00 10.00 O ATOM 848 CB LEU A 57 2.964 2.340 3.242 1.00 10.00 C ATOM 849 CG LEU A 57 2.617 3.483 2.279 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.421 2.930 0.865 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.385 4.285 2.725 1.00 10.00 C ATOM 0 H LEU A 57 4.689 4.031 3.951 1.00 10.00 H new ATOM 0 HA LEU A 57 4.506 1.176 4.028 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.443 1.439 2.918 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.584 2.589 4.233 1.00 10.00 H new ATOM 0 HG LEU A 57 3.456 4.179 2.286 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.175 3.746 0.186 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.340 2.446 0.533 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.609 2.203 0.868 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.188 5.080 2.005 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.521 3.623 2.781 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.571 4.722 3.706 1.00 10.00 H new ATOM 863 N LYS A 58 5.596 2.456 1.201 1.00 10.00 N ATOM 864 CA LYS A 58 6.565 2.128 0.172 1.00 10.00 C ATOM 865 C LYS A 58 7.688 1.236 0.697 1.00 10.00 C ATOM 866 O LYS A 58 8.018 0.258 0.039 1.00 10.00 O ATOM 867 CB LYS A 58 7.115 3.424 -0.434 1.00 10.00 C ATOM 868 CG LYS A 58 8.142 3.187 -1.547 1.00 10.00 C ATOM 869 CD LYS A 58 9.533 3.787 -1.259 1.00 10.00 C ATOM 870 CE LYS A 58 10.433 2.967 -0.314 1.00 10.00 C ATOM 871 NZ LYS A 58 10.433 3.447 1.087 1.00 10.00 N ATOM 0 H LYS A 58 5.311 3.435 1.208 1.00 10.00 H new ATOM 0 HA LYS A 58 6.061 1.552 -0.605 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.287 4.010 -0.833 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.576 4.018 0.355 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.247 2.114 -1.707 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.760 3.612 -2.475 1.00 10.00 H new ATOM 0 HD2 LYS A 58 10.056 3.916 -2.207 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.398 4.780 -0.831 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.107 1.927 -0.331 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.454 2.987 -0.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.890 2.739 1.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.956 4.344 1.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.453 3.596 1.403 1.00 10.00 H new ATOM 885 N GLU A 59 8.309 1.569 1.833 1.00 10.00 N ATOM 886 CA GLU A 59 9.394 0.776 2.385 1.00 10.00 C ATOM 887 C GLU A 59 8.918 -0.650 2.622 1.00 10.00 C ATOM 888 O GLU A 59 9.609 -1.600 2.278 1.00 10.00 O ATOM 889 CB GLU A 59 9.930 1.397 3.685 1.00 10.00 C ATOM 890 CG GLU A 59 11.427 1.079 3.834 1.00 10.00 C ATOM 891 CD GLU A 59 11.782 0.571 5.228 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.940 1.435 6.114 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.907 -0.666 5.369 1.00 10.00 O ATOM 0 H GLU A 59 8.070 2.392 2.387 1.00 10.00 H new ATOM 0 HA GLU A 59 10.215 0.761 1.668 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.777 2.476 3.674 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.379 1.006 4.540 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.711 0.330 3.095 1.00 10.00 H new ATOM 0 HG3 GLU A 59 12.008 1.976 3.619 1.00 10.00 H new ATOM 900 N ALA A 60 7.711 -0.790 3.166 1.00 10.00 N ATOM 901 CA ALA A 60 7.097 -2.088 3.394 1.00 10.00 C ATOM 902 C ALA A 60 7.166 -2.950 2.120 1.00 10.00 C ATOM 903 O ALA A 60 7.737 -4.044 2.127 1.00 10.00 O ATOM 904 CB ALA A 60 5.666 -1.890 3.910 1.00 10.00 C ATOM 0 H ALA A 60 7.133 -0.003 3.460 1.00 10.00 H new ATOM 0 HA ALA A 60 7.648 -2.634 4.160 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.203 -2.862 4.082 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.690 -1.330 4.845 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.086 -1.338 3.171 1.00 10.00 H new ATOM 910 N VAL A 61 6.618 -2.438 1.015 1.00 10.00 N ATOM 911 CA VAL A 61 6.716 -3.086 -0.297 1.00 10.00 C ATOM 912 C VAL A 61 8.169 -3.297 -0.762 1.00 10.00 C ATOM 913 O VAL A 61 8.542 -4.392 -1.198 1.00 10.00 O ATOM 914 CB VAL A 61 5.896 -2.297 -1.334 1.00 10.00 C ATOM 915 CG1 VAL A 61 6.215 -2.778 -2.757 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.400 -2.469 -1.044 1.00 10.00 C ATOM 0 H VAL A 61 6.094 -1.563 1.004 1.00 10.00 H new ATOM 0 HA VAL A 61 6.295 -4.086 -0.198 1.00 10.00 H new ATOM 0 HB VAL A 61 6.161 -1.242 -1.262 1.00 10.00 H new ATOM 0 HG11 VAL A 61 5.625 -2.208 -3.475 1.00 10.00 H new ATOM 0 HG12 VAL A 61 7.276 -2.632 -2.961 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.971 -3.837 -2.847 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.820 -1.910 -1.779 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.137 -3.525 -1.102 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.178 -2.094 -0.045 1.00 10.00 H new ATOM 926 N ASP A 62 8.975 -2.238 -0.705 1.00 10.00 N ATOM 927 CA ASP A 62 10.343 -2.216 -1.216 1.00 10.00 C ATOM 928 C ASP A 62 11.173 -3.292 -0.504 1.00 10.00 C ATOM 929 O ASP A 62 11.999 -3.969 -1.112 1.00 10.00 O ATOM 930 CB ASP A 62 10.888 -0.791 -1.032 1.00 10.00 C ATOM 931 CG ASP A 62 12.109 -0.464 -1.883 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.898 -0.043 -3.045 1.00 10.00 O ATOM 933 OD2 ASP A 62 13.223 -0.536 -1.326 1.00 10.00 O ATOM 0 H ASP A 62 8.687 -1.351 -0.292 1.00 10.00 H new ATOM 0 HA ASP A 62 10.390 -2.456 -2.278 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.096 -0.080 -1.268 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.144 -0.647 0.018 1.00 10.00 H new ATOM 938 N LYS A 63 10.888 -3.499 0.786 1.00 10.00 N ATOM 939 CA LYS A 63 11.518 -4.488 1.633 1.00 10.00 C ATOM 940 C LYS A 63 10.955 -5.880 1.342 1.00 10.00 C ATOM 941 O LYS A 63 11.726 -6.835 1.278 1.00 10.00 O ATOM 942 CB LYS A 63 11.324 -4.101 3.105 1.00 10.00 C ATOM 943 CG LYS A 63 12.302 -4.869 4.002 1.00 10.00 C ATOM 944 CD LYS A 63 13.661 -4.154 4.069 1.00 10.00 C ATOM 945 CE LYS A 63 14.805 -5.154 4.309 1.00 10.00 C ATOM 946 NZ LYS A 63 15.875 -4.586 5.153 1.00 10.00 N ATOM 0 H LYS A 63 10.181 -2.953 1.278 1.00 10.00 H new ATOM 0 HA LYS A 63 12.587 -4.518 1.422 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.477 -3.029 3.227 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.299 -4.314 3.410 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.886 -4.962 5.005 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.437 -5.880 3.618 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.836 -3.613 3.139 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.647 -3.415 4.870 1.00 10.00 H new ATOM 0 HE2 LYS A 63 14.407 -6.051 4.784 1.00 10.00 H new ATOM 0 HE3 LYS A 63 15.225 -5.460 3.351 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 16.624 -5.295 5.288 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 16.274 -3.745 4.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.482 -4.317 6.078 1.00 10.00 H new ATOM 960 N LEU A 64 9.628 -6.026 1.191 1.00 10.00 N ATOM 961 CA LEU A 64 9.050 -7.289 0.752 1.00 10.00 C ATOM 962 C LEU A 64 9.726 -7.805 -0.521 1.00 10.00 C ATOM 963 O LEU A 64 9.939 -9.011 -0.642 1.00 10.00 O ATOM 964 CB LEU A 64 7.551 -7.123 0.510 1.00 10.00 C ATOM 965 CG LEU A 64 6.709 -7.223 1.787 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.314 -6.677 1.490 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.602 -8.685 2.237 1.00 10.00 C ATOM 0 H LEU A 64 8.948 -5.287 1.367 1.00 10.00 H new ATOM 0 HA LEU A 64 9.214 -8.022 1.542 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.372 -6.155 0.041 1.00 10.00 H new ATOM 0 HB3 LEU A 64 7.219 -7.885 -0.195 1.00 10.00 H new ATOM 0 HG LEU A 64 7.180 -6.647 2.584 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.700 -6.740 2.388 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.390 -5.636 1.175 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.855 -7.264 0.695 1.00 10.00 H new ATOM 0 HD21 LEU A 64 6.002 -8.743 3.145 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.129 -9.274 1.451 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.599 -9.079 2.435 1.00 10.00 H new ATOM 979 N GLY A 65 10.056 -6.906 -1.454 1.00 10.00 N ATOM 980 CA GLY A 65 10.901 -7.232 -2.599 1.00 10.00 C ATOM 981 C GLY A 65 10.301 -6.815 -3.939 1.00 10.00 C ATOM 982 O GLY A 65 10.888 -7.104 -4.979 1.00 10.00 O ATOM 0 H GLY A 65 9.744 -5.935 -1.434 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.869 -6.745 -2.476 1.00 10.00 H new ATOM 0 HA3 GLY A 65 11.084 -8.306 -2.611 1.00 10.00 H new ATOM 986 N TYR A 66 9.136 -6.159 -3.931 1.00 10.00 N ATOM 987 CA TYR A 66 8.511 -5.632 -5.139 1.00 10.00 C ATOM 988 C TYR A 66 8.832 -4.139 -5.211 1.00 10.00 C ATOM 989 O TYR A 66 9.748 -3.682 -4.529 1.00 10.00 O ATOM 990 CB TYR A 66 6.997 -5.907 -5.122 1.00 10.00 C ATOM 991 CG TYR A 66 6.569 -7.101 -4.289 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.691 -8.410 -4.787 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.050 -6.894 -2.999 1.00 10.00 C ATOM 994 CE1 TYR A 66 6.261 -9.502 -4.009 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.568 -7.976 -2.256 1.00 10.00 C ATOM 996 CZ TYR A 66 5.694 -9.282 -2.742 1.00 10.00 C ATOM 997 OH TYR A 66 5.258 -10.318 -1.969 1.00 10.00 O ATOM 0 H TYR A 66 8.601 -5.980 -3.081 1.00 10.00 H new ATOM 0 HA TYR A 66 8.900 -6.124 -6.031 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.487 -5.020 -4.747 1.00 10.00 H new ATOM 0 HB3 TYR A 66 6.660 -6.059 -6.147 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.114 -8.578 -5.766 1.00 10.00 H new ATOM 0 HD2 TYR A 66 6.024 -5.898 -2.581 1.00 10.00 H new ATOM 0 HE1 TYR A 66 6.367 -10.509 -4.386 1.00 10.00 H new ATOM 0 HE2 TYR A 66 5.095 -7.802 -1.301 1.00 10.00 H new ATOM 0 HH TYR A 66 4.774 -10.962 -2.527 1.00 10.00 H new ATOM 1007 N LYS A 67 8.068 -3.360 -5.982 1.00 10.00 N ATOM 1008 CA LYS A 67 8.149 -1.909 -5.888 1.00 10.00 C ATOM 1009 C LYS A 67 6.764 -1.272 -5.962 1.00 10.00 C ATOM 1010 O LYS A 67 5.847 -1.817 -6.578 1.00 10.00 O ATOM 1011 CB LYS A 67 9.151 -1.342 -6.907 1.00 10.00 C ATOM 1012 CG LYS A 67 9.607 0.066 -6.486 1.00 10.00 C ATOM 1013 CD LYS A 67 10.995 0.404 -7.047 1.00 10.00 C ATOM 1014 CE LYS A 67 11.610 1.556 -6.237 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.038 1.756 -6.556 1.00 10.00 N ATOM 0 H LYS A 67 7.397 -3.708 -6.667 1.00 10.00 H new ATOM 0 HA LYS A 67 8.543 -1.643 -4.907 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.014 -2.003 -6.984 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.691 -1.302 -7.895 1.00 10.00 H new ATOM 0 HG2 LYS A 67 8.884 0.803 -6.836 1.00 10.00 H new ATOM 0 HG3 LYS A 67 9.628 0.132 -5.398 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.641 -0.473 -7.000 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.916 0.686 -8.097 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.061 2.475 -6.440 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.502 1.349 -5.172 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.414 2.542 -5.988 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.567 0.888 -6.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.140 1.979 -7.567 1.00 10.00 H new ATOM 1029 N LEU A 68 6.640 -0.133 -5.277 1.00 10.00 N ATOM 1030 CA LEU A 68 5.437 0.658 -5.091 1.00 10.00 C ATOM 1031 C LEU A 68 5.838 2.112 -5.308 1.00 10.00 C ATOM 1032 O LEU A 68 6.971 2.486 -4.995 1.00 10.00 O ATOM 1033 CB LEU A 68 4.980 0.488 -3.637 1.00 10.00 C ATOM 1034 CG LEU A 68 3.642 1.159 -3.303 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.459 0.302 -3.758 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.535 1.436 -1.808 1.00 10.00 C ATOM 0 H LEU A 68 7.442 0.285 -4.806 1.00 10.00 H new ATOM 0 HA LEU A 68 4.640 0.358 -5.771 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.902 -0.577 -3.417 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.749 0.894 -2.979 1.00 10.00 H new ATOM 0 HG LEU A 68 3.608 2.105 -3.843 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.526 0.806 -3.506 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.511 0.153 -4.836 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.496 -0.665 -3.256 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.578 1.912 -1.594 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.604 0.497 -1.258 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.346 2.097 -1.501 1.00 10.00 H new ATOM 1048 N LYS A 69 4.911 2.947 -5.775 1.00 10.00 N ATOM 1049 CA LYS A 69 5.036 4.389 -5.706 1.00 10.00 C ATOM 1050 C LYS A 69 3.645 4.987 -5.596 1.00 10.00 C ATOM 1051 O LYS A 69 2.708 4.363 -6.067 1.00 10.00 O ATOM 1052 CB LYS A 69 5.749 4.888 -6.971 1.00 10.00 C ATOM 1053 CG LYS A 69 6.469 6.210 -6.713 1.00 10.00 C ATOM 1054 CD LYS A 69 7.503 5.991 -5.597 1.00 10.00 C ATOM 1055 CE LYS A 69 8.840 6.676 -5.904 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.528 6.038 -7.046 1.00 10.00 N ATOM 0 H LYS A 69 4.046 2.631 -6.215 1.00 10.00 H new ATOM 0 HA LYS A 69 5.621 4.689 -4.837 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.467 4.139 -7.307 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.023 5.017 -7.774 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.960 6.558 -7.622 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.755 6.980 -6.422 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.107 6.375 -4.657 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.667 4.922 -5.461 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.668 7.729 -6.125 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.481 6.635 -5.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.529 6.320 -7.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.459 5.004 -6.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.080 6.341 -7.934 1.00 10.00 H new ATOM 1070 N LEU A 70 3.486 6.169 -4.992 1.00 10.00 N ATOM 1071 CA LEU A 70 2.192 6.841 -5.020 1.00 10.00 C ATOM 1072 C LEU A 70 1.850 7.195 -6.466 1.00 10.00 C ATOM 1073 O LEU A 70 2.737 7.356 -7.305 1.00 10.00 O ATOM 1074 CB LEU A 70 2.226 8.134 -4.200 1.00 10.00 C ATOM 1075 CG LEU A 70 0.874 8.667 -3.706 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.351 7.827 -2.544 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.054 10.109 -3.221 1.00 10.00 C ATOM 0 H LEU A 70 4.221 6.667 -4.490 1.00 10.00 H new ATOM 0 HA LEU A 70 1.446 6.171 -4.593 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.866 7.971 -3.333 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.698 8.909 -4.804 1.00 10.00 H new ATOM 0 HG LEU A 70 0.161 8.620 -4.529 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.608 8.224 -2.211 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.223 6.795 -2.870 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.064 7.862 -1.720 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.098 10.496 -2.868 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.778 10.131 -2.406 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.414 10.727 -4.043 1.00 10.00 H new ATOM 1089 N LYS A 71 0.560 7.372 -6.717 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.011 7.898 -7.925 1.00 10.00 C ATOM 1091 C LYS A 71 -0.732 9.196 -7.573 1.00 10.00 C ATOM 1092 O LYS A 71 -0.470 10.238 -8.168 1.00 10.00 O ATOM 1093 CB LYS A 71 -0.988 6.859 -8.483 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.633 7.451 -9.727 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.205 6.366 -10.648 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.565 6.939 -12.026 1.00 10.00 C ATOM 1097 NZ LYS A 71 -1.361 7.267 -12.821 1.00 10.00 N ATOM 0 H LYS A 71 -0.153 7.132 -6.029 1.00 10.00 H new ATOM 0 HA LYS A 71 0.749 8.105 -8.679 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.465 5.934 -8.727 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.746 6.610 -7.741 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.430 8.134 -9.432 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.895 8.039 -10.273 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.477 5.563 -10.764 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.092 5.928 -10.191 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.174 6.218 -12.571 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.171 7.836 -11.899 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.632 7.423 -13.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.920 8.130 -12.443 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.684 6.480 -12.767 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.667 9.107 -6.626 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.475 10.235 -6.206 1.00 10.00 C ATOM 1113 C GLY A 72 -3.426 9.786 -5.105 1.00 10.00 C ATOM 1114 O GLY A 72 -3.069 9.832 -3.930 1.00 10.00 O ATOM 0 H GLY A 72 -1.880 8.241 -6.130 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.836 11.041 -5.845 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.039 10.629 -7.052 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.613 9.314 -5.487 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.732 9.107 -4.582 1.00 10.00 C ATOM 1120 C GLU A 73 -6.817 8.307 -5.300 1.00 10.00 C ATOM 1121 O GLU A 73 -6.766 8.167 -6.521 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.265 10.453 -4.061 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.586 11.458 -5.178 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.297 12.686 -4.626 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.403 12.499 -4.075 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.722 13.786 -4.762 1.00 10.00 O ATOM 0 H GLU A 73 -4.822 9.062 -6.453 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.401 8.538 -3.713 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.165 10.275 -3.473 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.527 10.892 -3.389 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.664 11.761 -5.674 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.212 10.980 -5.932 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.760 7.763 -4.527 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.801 6.868 -4.993 1.00 10.00 C ATOM 1135 C GLN A 74 -9.756 7.544 -5.974 1.00 10.00 C ATOM 1136 O GLN A 74 -10.472 8.474 -5.600 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.521 6.285 -3.770 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.534 4.760 -3.808 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.632 4.195 -4.702 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -11.420 4.934 -5.287 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -10.716 2.871 -4.782 1.00 10.00 N ATOM 0 H GLN A 74 -7.814 7.945 -3.525 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.351 6.055 -5.562 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.027 6.624 -2.859 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.544 6.659 -3.736 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.566 4.403 -4.161 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.665 4.378 -2.796 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -10.045 2.286 -4.283 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -11.451 2.440 -5.342 1.00 10.00 H new ATOM 1150 N ASP A 75 -9.787 7.058 -7.220 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.632 7.604 -8.277 1.00 10.00 C ATOM 1152 C ASP A 75 -12.114 7.256 -8.052 1.00 10.00 C ATOM 1153 O ASP A 75 -12.699 6.442 -8.765 1.00 10.00 O ATOM 1154 CB ASP A 75 -10.122 7.122 -9.642 1.00 10.00 C ATOM 1155 CG ASP A 75 -10.893 7.756 -10.795 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -11.412 8.875 -10.596 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -10.922 7.122 -11.873 1.00 10.00 O ATOM 0 H ASP A 75 -9.219 6.266 -7.521 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.570 8.692 -8.255 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -9.063 7.361 -9.739 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -10.210 6.037 -9.700 1.00 10.00 H new ATOM 1162 N SER A 76 -12.722 7.871 -7.035 1.00 10.00 N ATOM 1163 CA SER A 76 -14.135 7.744 -6.705 1.00 10.00 C ATOM 1164 C SER A 76 -14.869 9.033 -7.082 1.00 10.00 C ATOM 1165 O SER A 76 -14.716 10.050 -6.410 1.00 10.00 O ATOM 1166 CB SER A 76 -14.291 7.461 -5.209 1.00 10.00 C ATOM 1167 OG SER A 76 -13.850 6.151 -4.909 1.00 10.00 O ATOM 0 H SER A 76 -12.222 8.492 -6.399 1.00 10.00 H new ATOM 0 HA SER A 76 -14.567 6.916 -7.266 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.717 8.186 -4.633 1.00 10.00 H new ATOM 0 HB3 SER A 76 -15.335 7.577 -4.917 1.00 10.00 H new ATOM 0 HG SER A 76 -12.914 6.051 -5.181 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.695 8.981 -8.134 1.00 10.00 N ATOM 1174 CA ILE A 77 -16.523 10.105 -8.564 1.00 10.00 C ATOM 1175 C ILE A 77 -17.761 10.253 -7.674 1.00 10.00 C ATOM 1176 O ILE A 77 -18.292 11.348 -7.507 1.00 10.00 O ATOM 1177 CB ILE A 77 -16.852 9.976 -10.068 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -15.564 9.908 -10.918 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.691 11.169 -10.555 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -15.147 8.478 -11.280 1.00 10.00 C ATOM 0 H ILE A 77 -15.806 8.149 -8.713 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.965 11.034 -8.444 1.00 10.00 H new ATOM 0 HB ILE A 77 -17.419 9.053 -10.189 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -15.712 10.478 -11.835 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -14.752 10.388 -10.372 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -17.908 11.052 -11.617 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -18.626 11.209 -9.996 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -17.135 12.093 -10.398 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -14.235 8.505 -11.877 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -14.967 7.910 -10.368 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -15.942 8.001 -11.853 1.00 10.00 H new ATOM 1192 N GLU A 78 -18.208 9.141 -7.095 1.00 10.00 N ATOM 1193 CA GLU A 78 -19.327 9.095 -6.164 1.00 10.00 C ATOM 1194 C GLU A 78 -18.865 9.618 -4.801 1.00 10.00 C ATOM 1195 O GLU A 78 -17.732 9.353 -4.394 1.00 10.00 O ATOM 1196 CB GLU A 78 -19.848 7.650 -6.068 1.00 10.00 C ATOM 1197 CG GLU A 78 -21.153 7.490 -5.267 1.00 10.00 C ATOM 1198 CD GLU A 78 -22.389 7.922 -6.046 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -22.469 9.127 -6.363 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -23.233 7.036 -6.303 1.00 10.00 O ATOM 0 H GLU A 78 -17.790 8.226 -7.266 1.00 10.00 H new ATOM 0 HA GLU A 78 -20.144 9.727 -6.514 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -20.007 7.268 -7.076 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -19.078 7.030 -5.610 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -21.264 6.447 -4.970 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -21.084 8.077 -4.351 1.00 10.00 H new ATOM 1207 N GLY A 79 -19.744 10.336 -4.094 1.00 10.00 N ATOM 1208 CA GLY A 79 -19.510 10.844 -2.750 1.00 10.00 C ATOM 1209 C GLY A 79 -20.723 10.552 -1.867 1.00 10.00 C ATOM 1210 O GLY A 79 -21.784 10.183 -2.368 1.00 10.00 O ATOM 0 H GLY A 79 -20.664 10.584 -4.458 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -18.620 10.380 -2.326 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -19.324 11.917 -2.784 1.00 10.00 H new ATOM 1214 N ARG A 80 -20.561 10.725 -0.555 1.00 10.00 N ATOM 1215 CA ARG A 80 -21.585 10.656 0.471 1.00 10.00 C ATOM 1216 C ARG A 80 -21.052 11.522 1.610 1.00 10.00 C ATOM 1217 O ARG A 80 -19.855 11.882 1.517 1.00 10.00 O ATOM 1218 CB ARG A 80 -21.792 9.213 0.960 1.00 10.00 C ATOM 1219 CG ARG A 80 -22.848 8.454 0.146 1.00 10.00 C ATOM 1220 CD ARG A 80 -23.197 7.139 0.852 1.00 10.00 C ATOM 1221 NE ARG A 80 -24.280 6.430 0.150 1.00 10.00 N ATOM 1222 CZ ARG A 80 -24.979 5.404 0.661 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -24.678 4.930 1.875 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -25.978 4.856 -0.044 1.00 10.00 N ATOM 1225 OXT ARG A 80 -21.838 11.790 2.544 1.00 10.00 O ATOM 0 H ARG A 80 -19.643 10.931 -0.160 1.00 10.00 H new ATOM 0 HA ARG A 80 -22.551 10.996 0.096 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -20.844 8.677 0.906 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -22.090 9.229 2.008 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -23.743 9.066 0.033 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -22.472 8.251 -0.857 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -22.313 6.503 0.900 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -23.498 7.343 1.879 1.00 10.00 H new ATOM 0 HE ARG A 80 -24.516 6.741 -0.792 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -23.918 5.348 2.412 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -25.209 4.151 2.264 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -26.208 5.218 -0.969 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -26.509 4.076 0.345 1.00 10.00 H new TER 1239 ARG A 80